data_16320 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of an archaeal protein SSO6904 from hyperthermophilic Sulfolobus solfataricus ; _BMRB_accession_number 16320 _BMRB_flat_file_name bmr16320.str _Entry_type original _Submission_date 2009-05-28 _Accession_date 2009-05-28 _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 Feng Yingang . . 2 Yao Hongwei . . 3 Wang Jinfeng . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 579 "13C chemical shifts" 433 "15N chemical shifts" 96 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-28 update BMRB 'edit entity/assembly name' 2010-02-10 update BMRB 'completed entry citation' 2009-10-14 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure and calcium binding of protein SSO6904 from the hyperthermophilic archaeon Sulfolobus solfataricus.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19768683 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Feng Yingang . . 2 Yao Hongwei . . 3 Wang Jinfeng . . stop_ _Journal_abbreviation Proteins _Journal_name_full Proteins _Journal_volume 78 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 474 _Page_last 479 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name SSO6904 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label SSO6904 $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common SSO6904 _Molecular_mass 11913.870 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 99 _Mol_residue_sequence ; MSILEDPEFVKLRQFKGKVN FNLVMQILDEIELDLRGSDN IKTSIIYVYSSHLDEIRKNK EFYDMIAEILQRYYKKIGIE NVNQLILTTIKLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 SER 3 ILE 4 LEU 5 GLU 6 ASP 7 PRO 8 GLU 9 PHE 10 VAL 11 LYS 12 LEU 13 ARG 14 GLN 15 PHE 16 LYS 17 GLY 18 LYS 19 VAL 20 ASN 21 PHE 22 ASN 23 LEU 24 VAL 25 MET 26 GLN 27 ILE 28 LEU 29 ASP 30 GLU 31 ILE 32 GLU 33 LEU 34 ASP 35 LEU 36 ARG 37 GLY 38 SER 39 ASP 40 ASN 41 ILE 42 LYS 43 THR 44 SER 45 ILE 46 ILE 47 TYR 48 VAL 49 TYR 50 SER 51 SER 52 HIS 53 LEU 54 ASP 55 GLU 56 ILE 57 ARG 58 LYS 59 ASN 60 LYS 61 GLU 62 PHE 63 TYR 64 ASP 65 MET 66 ILE 67 ALA 68 GLU 69 ILE 70 LEU 71 GLN 72 ARG 73 TYR 74 TYR 75 LYS 76 LYS 77 ILE 78 GLY 79 ILE 80 GLU 81 ASN 82 VAL 83 ASN 84 GLN 85 LEU 86 ILE 87 LEU 88 THR 89 THR 90 ILE 91 LYS 92 LEU 93 GLU 94 HIS 95 HIS 96 HIS 97 HIS 98 HIS 99 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-26 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 PDB 2KJG "Solution Structure Of An Archaeal Protein Sso6904 From Hyperthermophilic Sulfolobus Solfataricus" 100.00 99 100.00 100.00 5.16e-63 GB AAK41251 "Hypothetical protein SSO6904 [Sulfolobus solfataricus P2]" 91.92 94 100.00 100.00 1.12e-56 GB ACX92167 "conserved hypothetical protein [Sulfolobus solfataricus 98/2]" 91.92 91 100.00 100.00 1.51e-56 GB AKA75098 "hypothetical protein SULB_1989 [Sulfolobus solfataricus]" 91.92 91 100.00 100.00 1.51e-56 GB AKA77791 "hypothetical protein SULC_1987 [Sulfolobus solfataricus]" 91.92 91 100.00 100.00 1.51e-56 GB AKA80485 "hypothetical protein SULA_1988 [Sulfolobus solfataricus]" 91.92 91 100.00 100.00 1.51e-56 REF WP_009992428 "hypothetical protein [Sulfolobus solfataricus]" 91.92 91 100.00 100.00 1.51e-56 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity 'Sulfolobus solfataricus' 2287 Archaea . Sulfolobus solfataricus 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 . pET30a 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 $entity . mM 1 1.5 '[U-13C; U-15N]' 'potassium phosphate' 50 mM . . 'natural abundance' 'potassium chloride' 100 mM . . 'natural abundance' D2O 10 % . . '[U-99.8% 2H]' DSS 0.02 '% w/v' . . 'natural abundance' 'sodium azide' 0.02 '% w/v' . . 'natural abundance' arginine 50 mM . . 'natural abundance' 'glutamic acid' 50 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_xwinnmr _Saveframe_category software _Name xwinnmr _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_Felix _Saveframe_category software _Name FELIX _Version . loop_ _Vendor _Address _Electronic_address 'Accelrys Software Inc.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' processing stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task '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 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHANH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHANH' _Sample_label $sample_1 save_ save_3D_(H)CCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY-HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY-HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY-HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 . M pH 7.2 . pH pressure 1 . atm temperature 310 . 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' '3D HBHA(CO)NH' '3D HBHANH' '3D (H)CCH-TOCSY' 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 SSO6904 _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 3 3 ILE H H 8.31 0.02 1 2 3 3 ILE HA H 3.74 0.02 1 3 3 3 ILE HB H 1.18 0.02 1 4 3 3 ILE HD1 H 0.35 0.02 1 5 3 3 ILE HG12 H 0.94 0.02 2 6 3 3 ILE HG13 H 0.47 0.02 2 7 3 3 ILE HG2 H 0.4 0.02 1 8 3 3 ILE C C 175.2 0.2 1 9 3 3 ILE CA C 64.2 0.2 1 10 3 3 ILE CB C 37.4 0.2 1 11 3 3 ILE CD1 C 14 0.2 1 12 3 3 ILE CG1 C 28 0.2 1 13 3 3 ILE CG2 C 16.7 0.2 1 14 3 3 ILE N N 124.9 0.2 1 15 4 4 LEU H H 7.27 0.02 1 16 4 4 LEU HA H 3.68 0.02 1 17 4 4 LEU HB2 H 1.38 0.02 2 18 4 4 LEU HB3 H 1.5 0.02 2 19 4 4 LEU HD1 H 0.77 0.02 2 20 4 4 LEU HD2 H 0.48 0.02 2 21 4 4 LEU HG H 1.36 0.02 1 22 4 4 LEU C C 177.3 0.2 1 23 4 4 LEU CA C 56.3 0.2 1 24 4 4 LEU CB C 41.1 0.2 1 25 4 4 LEU CD1 C 25.1 0.2 2 26 4 4 LEU CD2 C 22.9 0.2 2 27 4 4 LEU CG C 26.7 0.2 1 28 4 4 LEU N N 116.1 0.2 1 29 5 5 GLU H H 7.35 0.02 1 30 5 5 GLU HA H 4.29 0.02 1 31 5 5 GLU HB2 H 1.95 0.02 2 32 5 5 GLU HB3 H 2.27 0.02 2 33 5 5 GLU HG2 H 2.2 0.02 2 34 5 5 GLU HG3 H 2.14 0.02 2 35 5 5 GLU C C 176.3 0.2 1 36 5 5 GLU CA C 55.2 0.2 1 37 5 5 GLU CB C 30 0.2 1 38 5 5 GLU CG C 36.7 0.2 1 39 5 5 GLU N N 114.2 0.2 1 40 6 6 ASP H H 7.86 0.02 1 41 6 6 ASP HA H 4.83 0.02 1 42 6 6 ASP HB2 H 3.24 0.02 2 43 6 6 ASP HB3 H 3.11 0.02 2 44 6 6 ASP C C 175.5 0.2 1 45 6 6 ASP CA C 53 0.2 1 46 6 6 ASP CB C 40.8 0.2 1 47 6 6 ASP N N 125 0.2 1 48 7 7 PRO HA H 4.24 0.02 1 49 7 7 PRO HB2 H 2.04 0.02 2 50 7 7 PRO HB3 H 2.42 0.02 2 51 7 7 PRO HD2 H 4.07 0.02 2 52 7 7 PRO HD3 H 3.86 0.02 2 53 7 7 PRO HG2 H 2.25 0.02 2 54 7 7 PRO HG3 H 2.13 0.02 2 55 7 7 PRO C C 179 0.2 1 56 7 7 PRO CA C 65.7 0.2 1 57 7 7 PRO CB C 32.3 0.2 1 58 7 7 PRO CD C 50.9 0.2 1 59 7 7 PRO CG C 27.7 0.2 1 60 8 8 GLU H H 9.25 0.02 1 61 8 8 GLU HA H 4.12 0.02 1 62 8 8 GLU HB2 H 1.85 0.02 2 63 8 8 GLU HB3 H 2.08 0.02 2 64 8 8 GLU HG2 H 2.35 0.02 2 65 8 8 GLU HG3 H 2.31 0.02 2 66 8 8 GLU C C 178.1 0.2 1 67 8 8 GLU CA C 60 0.2 1 68 8 8 GLU CB C 29.2 0.2 1 69 8 8 GLU CG C 37.8 0.2 1 70 8 8 GLU N N 117.6 0.2 1 71 9 9 PHE H H 7.64 0.02 1 72 9 9 PHE HA H 4.13 0.02 1 73 9 9 PHE HB2 H 2.98 0.02 2 74 9 9 PHE HB3 H 3.3 0.02 2 75 9 9 PHE HD1 H 7.11 0.02 1 76 9 9 PHE HD2 H 7.11 0.02 1 77 9 9 PHE HE1 H 6.78 0.02 1 78 9 9 PHE HE2 H 6.78 0.02 1 79 9 9 PHE C C 178.6 0.2 1 80 9 9 PHE CA C 62.2 0.2 1 81 9 9 PHE CB C 40.4 0.2 1 82 9 9 PHE CD1 C 131.7 0.2 1 83 9 9 PHE CD2 C 131.7 0.2 1 84 9 9 PHE CE1 C 130 0.2 1 85 9 9 PHE CE2 C 130 0.2 1 86 9 9 PHE N N 118.2 0.2 1 87 10 10 VAL H H 8.22 0.02 1 88 10 10 VAL HA H 3.59 0.02 1 89 10 10 VAL HB H 2.11 0.02 1 90 10 10 VAL HG1 H 1.03 0.02 2 91 10 10 VAL HG2 H 0.96 0.02 2 92 10 10 VAL C C 179.4 0.2 1 93 10 10 VAL CA C 66.8 0.2 1 94 10 10 VAL CB C 31.7 0.2 1 95 10 10 VAL CG1 C 22.6 0.2 2 96 10 10 VAL CG2 C 21.3 0.2 2 97 10 10 VAL N N 120.3 0.2 1 98 11 11 LYS H H 7.76 0.02 1 99 11 11 LYS HA H 4.05 0.02 1 100 11 11 LYS HB2 H 2.02 0.02 2 101 11 11 LYS HB3 H 1.91 0.02 2 102 11 11 LYS HD2 H 1.75 0.02 1 103 11 11 LYS HD3 H 1.75 0.02 1 104 11 11 LYS HE2 H 2.97 0.02 1 105 11 11 LYS HE3 H 2.97 0.02 1 106 11 11 LYS HG2 H 1.67 0.02 2 107 11 11 LYS HG3 H 1.5 0.02 2 108 11 11 LYS C C 179 0.2 1 109 11 11 LYS CA C 59.3 0.2 1 110 11 11 LYS CB C 32.6 0.2 1 111 11 11 LYS CD C 29.5 0.2 1 112 11 11 LYS CE C 42.1 0.2 1 113 11 11 LYS CG C 25.8 0.2 1 114 11 11 LYS N N 119.6 0.2 1 115 12 12 LEU H H 7.75 0.02 1 116 12 12 LEU HA H 4.19 0.02 1 117 12 12 LEU HB2 H 1.72 0.02 2 118 12 12 LEU HB3 H 1.78 0.02 2 119 12 12 LEU HD1 H 0.7 0.02 2 120 12 12 LEU HD2 H 0.92 0.02 2 121 12 12 LEU HG H 1.73 0.02 1 122 12 12 LEU C C 178.4 0.2 1 123 12 12 LEU CA C 57.8 0.2 1 124 12 12 LEU CB C 41.9 0.2 1 125 12 12 LEU CD1 C 25.4 0.2 2 126 12 12 LEU CD2 C 24.3 0.2 2 127 12 12 LEU CG C 27.1 0.2 1 128 12 12 LEU N N 119.9 0.2 1 129 13 13 ARG H H 7.6 0.02 1 130 13 13 ARG HA H 3.94 0.02 1 131 13 13 ARG HB2 H 2 0.02 1 132 13 13 ARG HB3 H 2 0.02 1 133 13 13 ARG HD2 H 3.29 0.02 1 134 13 13 ARG HD3 H 3.29 0.02 1 135 13 13 ARG HG2 H 1.78 0.02 1 136 13 13 ARG HG3 H 1.78 0.02 1 137 13 13 ARG C C 178.6 0.2 1 138 13 13 ARG CA C 59 0.2 1 139 13 13 ARG CB C 30.2 0.2 1 140 13 13 ARG CD C 44 0.2 1 141 13 13 ARG CG C 27.7 0.2 1 142 13 13 ARG N N 115.3 0.2 1 143 14 14 GLN H H 7.77 0.02 1 144 14 14 GLN HA H 4.13 0.02 1 145 14 14 GLN HB2 H 1.93 0.02 1 146 14 14 GLN HB3 H 1.93 0.02 1 147 14 14 GLN HE21 H 7.3 0.02 1 148 14 14 GLN HE22 H 6.88 0.02 1 149 14 14 GLN HG2 H 2.34 0.02 2 150 14 14 GLN HG3 H 2.11 0.02 2 151 14 14 GLN C C 176.5 0.2 1 152 14 14 GLN CA C 57.1 0.2 1 153 14 14 GLN CB C 28.2 0.2 1 154 14 14 GLN CG C 33.9 0.2 1 155 14 14 GLN N N 116.4 0.2 1 156 14 14 GLN NE2 N 111.3 0.2 1 157 15 15 PHE H H 8.03 0.02 1 158 15 15 PHE HA H 4.22 0.02 1 159 15 15 PHE HB2 H 3 0.02 2 160 15 15 PHE HB3 H 3.12 0.02 2 161 15 15 PHE HD1 H 7.31 0.02 1 162 15 15 PHE HD2 H 7.31 0.02 1 163 15 15 PHE HE1 H 7.33 0.02 1 164 15 15 PHE HE2 H 7.33 0.02 1 165 15 15 PHE C C 175.2 0.2 1 166 15 15 PHE CA C 59.1 0.2 1 167 15 15 PHE CB C 38.8 0.2 1 168 15 15 PHE CD1 C 132.4 0.2 1 169 15 15 PHE CD2 C 132.4 0.2 1 170 15 15 PHE CE1 C 131.9 0.2 1 171 15 15 PHE CE2 C 131.9 0.2 1 172 15 15 PHE N N 116.8 0.2 1 173 16 16 LYS H H 7.47 0.02 1 174 16 16 LYS HA H 4.19 0.02 1 175 16 16 LYS CA C 58.4 0.2 1 176 16 16 LYS CB C 33.3 0.2 1 177 16 16 LYS N N 122.5 0.2 1 178 17 17 GLY HA2 H 3.92 0.02 2 179 17 17 GLY HA3 H 4.21 0.02 2 180 17 17 GLY C C 174.3 0.2 1 181 17 17 GLY CA C 46.2 0.2 1 182 18 18 LYS H H 8.23 0.02 1 183 18 18 LYS HA H 4.55 0.02 1 184 18 18 LYS HB2 H 1.68 0.02 2 185 18 18 LYS HB3 H 2.1 0.02 2 186 18 18 LYS HD2 H 1.66 0.02 2 187 18 18 LYS HD3 H 1.59 0.02 2 188 18 18 LYS HE2 H 2.98 0.02 1 189 18 18 LYS HE3 H 2.98 0.02 1 190 18 18 LYS HG2 H 1.37 0.02 2 191 18 18 LYS HG3 H 1.29 0.02 2 192 18 18 LYS C C 175.8 0.2 1 193 18 18 LYS CA C 56.1 0.2 1 194 18 18 LYS CB C 33.7 0.2 1 195 18 18 LYS CD C 29.1 0.2 1 196 18 18 LYS CE C 42.4 0.2 1 197 18 18 LYS CG C 24.9 0.2 1 198 18 18 LYS N N 118.1 0.2 1 199 19 19 VAL H H 7.15 0.02 1 200 19 19 VAL HA H 4.4 0.02 1 201 19 19 VAL HB H 1.53 0.02 1 202 19 19 VAL HG1 H 0.03 0.02 2 203 19 19 VAL HG2 H 0.34 0.02 2 204 19 19 VAL CA C 58.8 0.2 1 205 19 19 VAL CB C 34.3 0.2 1 206 19 19 VAL CG1 C 20.4 0.2 2 207 19 19 VAL CG2 C 17.9 0.2 2 208 19 19 VAL N N 111.1 0.2 1 209 20 20 ASN HA H 4.66 0.02 1 210 20 20 ASN HB2 H 2.81 0.02 2 211 20 20 ASN HB3 H 3.05 0.02 2 212 20 20 ASN HD21 H 7.01 0.02 2 213 20 20 ASN HD22 H 7.83 0.02 2 214 20 20 ASN C C 174.6 0.2 1 215 20 20 ASN CA C 52.7 0.2 1 216 20 20 ASN CB C 37.9 0.2 1 217 20 20 ASN ND2 N 112.6 0.2 1 218 21 21 PHE H H 8.58 0.02 1 219 21 21 PHE HA H 3.73 0.02 1 220 21 21 PHE HB2 H 3.21 0.02 2 221 21 21 PHE HB3 H 3 0.02 2 222 21 21 PHE HD1 H 7.08 0.02 1 223 21 21 PHE HD2 H 7.08 0.02 1 224 21 21 PHE HE1 H 7.46 0.02 1 225 21 21 PHE HE2 H 7.46 0.02 1 226 21 21 PHE HZ H 7.29 0.02 1 227 21 21 PHE C C 175.3 0.2 1 228 21 21 PHE CA C 62.5 0.2 1 229 21 21 PHE CB C 40.4 0.2 1 230 21 21 PHE CD1 C 131.7 0.2 1 231 21 21 PHE CD2 C 131.7 0.2 1 232 21 21 PHE CE1 C 131.7 0.2 1 233 21 21 PHE CE2 C 131.7 0.2 1 234 21 21 PHE CZ C 129.9 0.2 1 235 21 21 PHE N N 128.2 0.2 1 236 22 22 ASN H H 8.22 0.02 1 237 22 22 ASN HA H 4.3 0.02 1 238 22 22 ASN HB2 H 2.77 0.02 2 239 22 22 ASN HB3 H 2.89 0.02 2 240 22 22 ASN HD21 H 7.65 0.02 2 241 22 22 ASN HD22 H 6.97 0.02 2 242 22 22 ASN C C 177.8 0.2 1 243 22 22 ASN CA C 56.4 0.2 1 244 22 22 ASN CB C 37.9 0.2 1 245 22 22 ASN N N 114.6 0.2 1 246 22 22 ASN ND2 N 112 0.2 1 247 23 23 LEU H H 7.44 0.02 1 248 23 23 LEU HA H 4.19 0.02 1 249 23 23 LEU HB2 H 1.48 0.02 2 250 23 23 LEU HB3 H 1.68 0.02 2 251 23 23 LEU HD1 H 0.85 0.02 2 252 23 23 LEU HD2 H 0.81 0.02 2 253 23 23 LEU HG H 1.51 0.02 1 254 23 23 LEU C C 177.8 0.2 1 255 23 23 LEU CA C 56.9 0.2 1 256 23 23 LEU CB C 41.4 0.2 1 257 23 23 LEU CD1 C 25 0.2 2 258 23 23 LEU CD2 C 23.2 0.2 2 259 23 23 LEU CG C 27.1 0.2 1 260 23 23 LEU N N 122.5 0.2 1 261 24 24 VAL H H 7.93 0.02 1 262 24 24 VAL HA H 3.56 0.02 1 263 24 24 VAL HB H 1.83 0.02 1 264 24 24 VAL HG1 H 0.84 0.02 2 265 24 24 VAL HG2 H 1 0.02 2 266 24 24 VAL C C 177.5 0.2 1 267 24 24 VAL CA C 67.2 0.2 1 268 24 24 VAL CB C 31 0.2 1 269 24 24 VAL CG1 C 21.3 0.2 2 270 24 24 VAL CG2 C 22.5 0.2 2 271 24 24 VAL N N 119.4 0.2 1 272 25 25 MET H H 8.02 0.02 1 273 25 25 MET HA H 3.64 0.02 1 274 25 25 MET HB2 H 1.67 0.02 2 275 25 25 MET HB3 H 2.03 0.02 2 276 25 25 MET HE H 2.13 0.02 1 277 25 25 MET HG2 H 2.36 0.02 1 278 25 25 MET HG3 H 2.36 0.02 1 279 25 25 MET C C 176.8 0.2 1 280 25 25 MET CA C 60 0.2 1 281 25 25 MET CB C 32.9 0.2 1 282 25 25 MET CE C 16.9 0.2 1 283 25 25 MET CG C 30.9 0.2 1 284 25 25 MET N N 116.6 0.2 1 285 26 26 GLN H H 7.53 0.02 1 286 26 26 GLN HA H 4.05 0.02 1 287 26 26 GLN HB2 H 2.15 0.02 1 288 26 26 GLN HB3 H 2.15 0.02 1 289 26 26 GLN HE21 H 7.8 0.02 1 290 26 26 GLN HE22 H 6.74 0.02 1 291 26 26 GLN HG2 H 2.22 0.02 2 292 26 26 GLN HG3 H 2.52 0.02 2 293 26 26 GLN C C 177.8 0.2 1 294 26 26 GLN CA C 59.1 0.2 1 295 26 26 GLN CB C 28.1 0.2 1 296 26 26 GLN CG C 33 0.2 1 297 26 26 GLN N N 118.2 0.2 1 298 26 26 GLN NE2 N 110.5 0.2 1 299 27 27 ILE H H 8.23 0.02 1 300 27 27 ILE HA H 3.35 0.02 1 301 27 27 ILE HB H 1.94 0.02 1 302 27 27 ILE HD1 H 0.34 0.02 1 303 27 27 ILE HG12 H 0.04 0.02 2 304 27 27 ILE HG13 H 1.2 0.02 2 305 27 27 ILE HG2 H 0.9 0.02 1 306 27 27 ILE C C 177.7 0.2 1 307 27 27 ILE CA C 65.9 0.2 1 308 27 27 ILE CB C 37.9 0.2 1 309 27 27 ILE CD1 C 13.1 0.2 1 310 27 27 ILE CG1 C 30.3 0.2 1 311 27 27 ILE CG2 C 16.1 0.2 1 312 27 27 ILE N N 120.7 0.2 1 313 28 28 LEU H H 8.55 0.02 1 314 28 28 LEU HA H 4.02 0.02 1 315 28 28 LEU HB2 H 1.41 0.02 2 316 28 28 LEU HB3 H 1.83 0.02 2 317 28 28 LEU HD1 H 0.85 0.02 2 318 28 28 LEU HD2 H 0.74 0.02 2 319 28 28 LEU HG H 1.99 0.02 1 320 28 28 LEU C C 179.9 0.2 1 321 28 28 LEU CA C 58.4 0.2 1 322 28 28 LEU CB C 39.7 0.2 1 323 28 28 LEU CD1 C 21.3 0.2 2 324 28 28 LEU CD2 C 25.9 0.2 2 325 28 28 LEU CG C 26 0.2 1 326 28 28 LEU N N 118.9 0.2 1 327 29 29 ASP H H 8.47 0.02 1 328 29 29 ASP HA H 4.44 0.02 1 329 29 29 ASP HB2 H 2.65 0.02 2 330 29 29 ASP HB3 H 2.95 0.02 2 331 29 29 ASP C C 179.6 0.2 1 332 29 29 ASP CA C 57.4 0.2 1 333 29 29 ASP CB C 40.4 0.2 1 334 29 29 ASP N N 120.7 0.2 1 335 30 30 GLU H H 8.63 0.02 1 336 30 30 GLU HA H 3.98 0.02 1 337 30 30 GLU HB2 H 2.48 0.02 2 338 30 30 GLU HB3 H 2.08 0.02 2 339 30 30 GLU HG2 H 2.83 0.02 1 340 30 30 GLU HG3 H 2.83 0.02 1 341 30 30 GLU C C 180.6 0.2 1 342 30 30 GLU CA C 60 0.2 1 343 30 30 GLU CB C 29.9 0.2 1 344 30 30 GLU CG C 37.4 0.2 1 345 30 30 GLU N N 120.8 0.2 1 346 31 31 ILE H H 8.52 0.02 1 347 31 31 ILE HA H 3.54 0.02 1 348 31 31 ILE HB H 2.05 0.02 1 349 31 31 ILE HD1 H 0.83 0.02 1 350 31 31 ILE HG12 H 0.77 0.02 2 351 31 31 ILE HG13 H 2.09 0.02 2 352 31 31 ILE HG2 H 0.71 0.02 1 353 31 31 ILE C C 176.4 0.2 1 354 31 31 ILE CA C 66.6 0.2 1 355 31 31 ILE CB C 37.8 0.2 1 356 31 31 ILE CD1 C 14.5 0.2 1 357 31 31 ILE CG1 C 29.7 0.2 1 358 31 31 ILE CG2 C 17.1 0.2 1 359 31 31 ILE N N 123.1 0.2 1 360 32 32 GLU H H 8.07 0.02 1 361 32 32 GLU HA H 3.73 0.02 1 362 32 32 GLU HB2 H 1.89 0.02 2 363 32 32 GLU HB3 H 2.38 0.02 2 364 32 32 GLU HG2 H 2.14 0.02 2 365 32 32 GLU HG3 H 2.34 0.02 2 366 32 32 GLU C C 178.4 0.2 1 367 32 32 GLU CA C 60.8 0.2 1 368 32 32 GLU CB C 28.8 0.2 1 369 32 32 GLU CG C 36.3 0.2 1 370 32 32 GLU N N 120.3 0.2 1 371 33 33 LEU H H 8.16 0.02 1 372 33 33 LEU HA H 3.98 0.02 1 373 33 33 LEU HB2 H 1.8 0.02 2 374 33 33 LEU HB3 H 1.71 0.02 2 375 33 33 LEU HD1 H 0.92 0.02 2 376 33 33 LEU HD2 H 0.92 0.02 2 377 33 33 LEU HG H 1.72 0.02 1 378 33 33 LEU C C 180.1 0.2 1 379 33 33 LEU CA C 58 0.2 1 380 33 33 LEU CB C 42.1 0.2 1 381 33 33 LEU CD1 C 24.3 0.2 2 382 33 33 LEU CD2 C 24.3 0.2 2 383 33 33 LEU CG C 27 0.2 1 384 33 33 LEU N N 117.9 0.2 1 385 34 34 ASP H H 8.2 0.02 1 386 34 34 ASP HA H 4.29 0.02 1 387 34 34 ASP HB2 H 2.52 0.02 2 388 34 34 ASP HB3 H 2.74 0.02 2 389 34 34 ASP C C 178.6 0.2 1 390 34 34 ASP CA C 58.2 0.2 1 391 34 34 ASP CB C 42.8 0.2 1 392 34 34 ASP N N 120.5 0.2 1 393 35 35 LEU H H 8.63 0.02 1 394 35 35 LEU HA H 4.36 0.02 1 395 35 35 LEU HB2 H 1.53 0.02 2 396 35 35 LEU HB3 H 1.95 0.02 2 397 35 35 LEU HD1 H 0.69 0.02 2 398 35 35 LEU HD2 H 0.78 0.02 2 399 35 35 LEU HG H 1.69 0.02 1 400 35 35 LEU C C 179 0.2 1 401 35 35 LEU CA C 56.4 0.2 1 402 35 35 LEU CB C 42.8 0.2 1 403 35 35 LEU CD1 C 23.8 0.2 2 404 35 35 LEU CD2 C 25.7 0.2 2 405 35 35 LEU CG C 26.5 0.2 1 406 35 35 LEU N N 121.3 0.2 1 407 36 36 ARG H H 7.41 0.02 1 408 36 36 ARG HA H 4.05 0.02 1 409 36 36 ARG HB2 H 1.94 0.02 1 410 36 36 ARG HB3 H 1.94 0.02 1 411 36 36 ARG HD2 H 3.17 0.02 1 412 36 36 ARG HD3 H 3.17 0.02 1 413 36 36 ARG HG2 H 1.78 0.02 1 414 36 36 ARG HG3 H 1.78 0.02 1 415 36 36 ARG C C 177.8 0.2 1 416 36 36 ARG CA C 59 0.2 1 417 36 36 ARG CB C 30 0.2 1 418 36 36 ARG CD C 43.8 0.2 1 419 36 36 ARG CG C 27.6 0.2 1 420 36 36 ARG N N 117 0.2 1 421 37 37 GLY H H 7.58 0.02 1 422 37 37 GLY HA2 H 3.83 0.02 2 423 37 37 GLY HA3 H 4.28 0.02 2 424 37 37 GLY C C 174.8 0.2 1 425 37 37 GLY CA C 45.2 0.2 1 426 37 37 GLY N N 103.6 0.2 1 427 38 38 SER H H 8.38 0.02 1 428 38 38 SER HA H 4.33 0.02 1 429 38 38 SER HB2 H 3.77 0.02 1 430 38 38 SER HB3 H 3.77 0.02 1 431 38 38 SER C C 175.1 0.2 1 432 38 38 SER CA C 58.7 0.2 1 433 38 38 SER CB C 63.8 0.2 1 434 38 38 SER N N 117.8 0.2 1 435 39 39 ASP H H 8.52 0.02 1 436 39 39 ASP HA H 4.47 0.02 1 437 39 39 ASP HB2 H 2.55 0.02 2 438 39 39 ASP HB3 H 3.02 0.02 2 439 39 39 ASP C C 175.3 0.2 1 440 39 39 ASP CA C 55.4 0.2 1 441 39 39 ASP CB C 41.5 0.2 1 442 39 39 ASP N N 120.5 0.2 1 443 40 40 ASN H H 8.23 0.02 1 444 40 40 ASN HA H 4.8 0.02 1 445 40 40 ASN HB2 H 2.59 0.02 2 446 40 40 ASN HB3 H 2.87 0.02 2 447 40 40 ASN HD21 H 7.68 0.02 2 448 40 40 ASN HD22 H 6.92 0.02 2 449 40 40 ASN C C 174.6 0.2 1 450 40 40 ASN CA C 52.9 0.2 1 451 40 40 ASN CB C 39.5 0.2 1 452 40 40 ASN N N 116.1 0.2 1 453 40 40 ASN ND2 N 113.4 0.2 1 454 41 41 ILE H H 8.34 0.02 1 455 41 41 ILE HA H 3.84 0.02 1 456 41 41 ILE HB H 1.03 0.02 1 457 41 41 ILE HD1 H 0.36 0.02 1 458 41 41 ILE HG12 H 1.11 0.02 2 459 41 41 ILE HG13 H 0.92 0.02 2 460 41 41 ILE HG2 H 0.83 0.02 1 461 41 41 ILE C C 175 0.2 1 462 41 41 ILE CA C 62.5 0.2 1 463 41 41 ILE CB C 37.6 0.2 1 464 41 41 ILE CD1 C 14.8 0.2 1 465 41 41 ILE CG1 C 29.5 0.2 1 466 41 41 ILE CG2 C 18.7 0.2 1 467 41 41 ILE N N 124.8 0.2 1 468 42 42 LYS H H 7.79 0.02 1 469 42 42 LYS HA H 3.78 0.02 1 470 42 42 LYS HB2 H 1.85 0.02 1 471 42 42 LYS HB3 H 1.85 0.02 1 472 42 42 LYS HD2 H 1.67 0.02 1 473 42 42 LYS HD3 H 1.67 0.02 1 474 42 42 LYS HE2 H 2.96 0.02 1 475 42 42 LYS HE3 H 2.96 0.02 1 476 42 42 LYS HG2 H 1.43 0.02 2 477 42 42 LYS HG3 H 1.33 0.02 2 478 42 42 LYS C C 178.3 0.2 1 479 42 42 LYS CA C 60.2 0.2 1 480 42 42 LYS CB C 31.8 0.2 1 481 42 42 LYS CD C 29.2 0.2 1 482 42 42 LYS CE C 41.9 0.2 1 483 42 42 LYS CG C 25.4 0.2 1 484 42 42 LYS N N 122.1 0.2 1 485 43 43 THR H H 7.5 0.02 1 486 43 43 THR HA H 3.79 0.02 1 487 43 43 THR HB H 4.18 0.02 1 488 43 43 THR HG2 H 1.2 0.02 1 489 43 43 THR C C 177.1 0.2 1 490 43 43 THR CA C 65.9 0.2 1 491 43 43 THR CB C 68.4 0.2 1 492 43 43 THR CG2 C 22.3 0.2 1 493 43 43 THR N N 112.9 0.2 1 494 44 44 SER H H 7.86 0.02 1 495 44 44 SER HA H 4.57 0.02 1 496 44 44 SER HB2 H 3.74 0.02 2 497 44 44 SER HB3 H 3.97 0.02 2 498 44 44 SER C C 175.1 0.2 1 499 44 44 SER CA C 63.6 0.2 1 500 44 44 SER CB C 63.9 0.2 1 501 44 44 SER N N 119.7 0.2 1 502 45 45 ILE H H 8.24 0.02 1 503 45 45 ILE HA H 3.14 0.02 1 504 45 45 ILE HB H 1.52 0.02 1 505 45 45 ILE HD1 H 0.74 0.02 1 506 45 45 ILE HG12 H 0.54 0.02 2 507 45 45 ILE HG13 H 1.74 0.02 2 508 45 45 ILE HG2 H 0 0.02 1 509 45 45 ILE C C 176.5 0.2 1 510 45 45 ILE CA C 66.2 0.2 1 511 45 45 ILE CB C 37.8 0.2 1 512 45 45 ILE CD1 C 15.4 0.2 1 513 45 45 ILE CG1 C 29.4 0.2 1 514 45 45 ILE CG2 C 15.6 0.2 1 515 45 45 ILE N N 121.3 0.2 1 516 46 46 ILE H H 7.68 0.02 1 517 46 46 ILE HA H 3.48 0.02 1 518 46 46 ILE HB H 1.83 0.02 1 519 46 46 ILE HD1 H 0.77 0.02 1 520 46 46 ILE HG12 H 1.1 0.02 2 521 46 46 ILE HG13 H 1.66 0.02 2 522 46 46 ILE HG2 H 0.87 0.02 1 523 46 46 ILE C C 178.9 0.2 1 524 46 46 ILE CA C 65.3 0.2 1 525 46 46 ILE CB C 37.8 0.2 1 526 46 46 ILE CD1 C 13.1 0.2 1 527 46 46 ILE CG1 C 29.4 0.2 1 528 46 46 ILE CG2 C 17.2 0.2 1 529 46 46 ILE N N 117.1 0.2 1 530 47 47 TYR H H 8.4 0.02 1 531 47 47 TYR HA H 4.19 0.02 1 532 47 47 TYR HB2 H 3.26 0.02 2 533 47 47 TYR HB3 H 3 0.02 2 534 47 47 TYR HD1 H 7.02 0.02 1 535 47 47 TYR HD2 H 7.02 0.02 1 536 47 47 TYR HE1 H 6.75 0.02 1 537 47 47 TYR HE2 H 6.75 0.02 1 538 47 47 TYR C C 178.7 0.2 1 539 47 47 TYR CA C 61.3 0.2 1 540 47 47 TYR CB C 38.4 0.2 1 541 47 47 TYR CD1 C 133.1 0.2 1 542 47 47 TYR CD2 C 133.1 0.2 1 543 47 47 TYR CE1 C 118.1 0.2 1 544 47 47 TYR CE2 C 118.1 0.2 1 545 47 47 TYR N N 120.9 0.2 1 546 48 48 VAL H H 8.48 0.02 1 547 48 48 VAL HA H 3.56 0.02 1 548 48 48 VAL HB H 2.04 0.02 1 549 48 48 VAL HG1 H 1.35 0.02 2 550 48 48 VAL HG2 H 1.12 0.02 2 551 48 48 VAL C C 179.6 0.2 1 552 48 48 VAL CA C 67 0.2 1 553 48 48 VAL CB C 31.7 0.2 1 554 48 48 VAL CG1 C 22.7 0.2 2 555 48 48 VAL CG2 C 22.7 0.2 2 556 48 48 VAL N N 121.6 0.2 1 557 49 49 TYR H H 9.63 0.02 1 558 49 49 TYR HA H 4.08 0.02 1 559 49 49 TYR HB2 H 2.8 0.02 2 560 49 49 TYR HB3 H 3.43 0.02 2 561 49 49 TYR HD1 H 6.76 0.02 1 562 49 49 TYR HD2 H 6.76 0.02 1 563 49 49 TYR HE1 H 6.54 0.02 1 564 49 49 TYR HE2 H 6.54 0.02 1 565 49 49 TYR C C 179.3 0.2 1 566 49 49 TYR CA C 59.9 0.2 1 567 49 49 TYR CB C 35.3 0.2 1 568 49 49 TYR CD1 C 130.3 0.2 1 569 49 49 TYR CD2 C 130.3 0.2 1 570 49 49 TYR CE1 C 117.6 0.2 1 571 49 49 TYR CE2 C 117.6 0.2 1 572 49 49 TYR N N 122 0.2 1 573 50 50 SER H H 8.12 0.02 1 574 50 50 SER HA H 4.13 0.02 1 575 50 50 SER HB2 H 4.01 0.02 1 576 50 50 SER HB3 H 4.01 0.02 1 577 50 50 SER C C 175.7 0.2 1 578 50 50 SER CA C 62 0.2 1 579 50 50 SER CB C 62.9 0.2 1 580 50 50 SER N N 112.6 0.2 1 581 51 51 SER H H 7.51 0.02 1 582 51 51 SER HA H 4.35 0.02 1 583 51 51 SER HB2 H 3.58 0.02 2 584 51 51 SER HB3 H 3.85 0.02 2 585 51 51 SER C C 173.6 0.2 1 586 51 51 SER CA C 59.5 0.2 1 587 51 51 SER CB C 63.3 0.2 1 588 51 51 SER N N 116.8 0.2 1 589 52 52 HIS H H 7.59 0.02 1 590 52 52 HIS HA H 4.89 0.02 1 591 52 52 HIS HB2 H 2.46 0.02 2 592 52 52 HIS HB3 H 3.3 0.02 2 593 52 52 HIS HD2 H 7.41 0.02 1 594 52 52 HIS HE1 H 8.18 0.02 1 595 52 52 HIS C C 175.2 0.2 1 596 52 52 HIS CA C 54.1 0.2 1 597 52 52 HIS CB C 29.5 0.2 1 598 52 52 HIS CD2 C 121.7 0.2 1 599 52 52 HIS CE1 C 136.1 0.2 1 600 52 52 HIS N N 120.5 0.2 1 601 53 53 LEU H H 7.44 0.02 1 602 53 53 LEU HA H 3.87 0.02 1 603 53 53 LEU HB2 H 1.55 0.02 2 604 53 53 LEU HB3 H 1.73 0.02 2 605 53 53 LEU HD1 H 0.87 0.02 2 606 53 53 LEU HD2 H 0.87 0.02 2 607 53 53 LEU HG H 1.68 0.02 1 608 53 53 LEU C C 177.9 0.2 1 609 53 53 LEU CA C 59.1 0.2 1 610 53 53 LEU CB C 42.3 0.2 1 611 53 53 LEU CD1 C 24.3 0.2 2 612 53 53 LEU CD2 C 24.3 0.2 2 613 53 53 LEU CG C 26.7 0.2 1 614 53 53 LEU N N 121.4 0.2 1 615 54 54 ASP H H 8.4 0.02 1 616 54 54 ASP HA H 4.29 0.02 1 617 54 54 ASP HB2 H 2.61 0.02 1 618 54 54 ASP HB3 H 2.61 0.02 1 619 54 54 ASP C C 177.9 0.2 1 620 54 54 ASP CA C 57.6 0.2 1 621 54 54 ASP CB C 40.2 0.2 1 622 54 54 ASP N N 115.9 0.2 1 623 55 55 GLU H H 7.5 0.02 1 624 55 55 GLU HA H 4.31 0.02 1 625 55 55 GLU HB2 H 1.82 0.02 2 626 55 55 GLU HB3 H 2.05 0.02 2 627 55 55 GLU HG2 H 2.25 0.02 2 628 55 55 GLU HG3 H 2.1 0.02 2 629 55 55 GLU C C 178.3 0.2 1 630 55 55 GLU CA C 57.8 0.2 1 631 55 55 GLU CB C 29.1 0.2 1 632 55 55 GLU CG C 34.3 0.2 1 633 55 55 GLU N N 120.1 0.2 1 634 56 56 ILE H H 7.72 0.02 1 635 56 56 ILE HA H 3.44 0.02 1 636 56 56 ILE HB H 1.64 0.02 1 637 56 56 ILE HD1 H 0 0.02 1 638 56 56 ILE HG12 H 0.86 0.02 2 639 56 56 ILE HG13 H 0.6 0.02 2 640 56 56 ILE HG2 H 0.42 0.02 1 641 56 56 ILE C C 178.6 0.2 1 642 56 56 ILE CA C 62.5 0.2 1 643 56 56 ILE CB C 36.2 0.2 1 644 56 56 ILE CD1 C 9.8 0.2 1 645 56 56 ILE CG1 C 28.1 0.2 1 646 56 56 ILE CG2 C 17.9 0.2 1 647 56 56 ILE N N 119.6 0.2 1 648 57 57 ARG H H 8.2 0.02 1 649 57 57 ARG HA H 3.93 0.02 1 650 57 57 ARG HB2 H 1.88 0.02 1 651 57 57 ARG HB3 H 1.88 0.02 1 652 57 57 ARG HD2 H 3.17 0.02 1 653 57 57 ARG HD3 H 3.17 0.02 1 654 57 57 ARG HG2 H 1.71 0.02 1 655 57 57 ARG HG3 H 1.71 0.02 1 656 57 57 ARG C C 178.8 0.2 1 657 57 57 ARG CA C 59 0.2 1 658 57 57 ARG CB C 30.1 0.2 1 659 57 57 ARG CD C 43.7 0.2 1 660 57 57 ARG CG C 27.7 0.2 1 661 57 57 ARG N N 115.5 0.2 1 662 58 58 LYS H H 7.4 0.02 1 663 58 58 LYS HA H 4.21 0.02 1 664 58 58 LYS HB2 H 1.95 0.02 1 665 58 58 LYS HB3 H 1.95 0.02 1 666 58 58 LYS HD2 H 1.75 0.02 1 667 58 58 LYS HD3 H 1.75 0.02 1 668 58 58 LYS HE2 H 3.02 0.02 1 669 58 58 LYS HE3 H 3.02 0.02 1 670 58 58 LYS HG2 H 1.49 0.02 1 671 58 58 LYS HG3 H 1.49 0.02 1 672 58 58 LYS C C 176.8 0.2 1 673 58 58 LYS CA C 58.1 0.2 1 674 58 58 LYS CB C 33.1 0.2 1 675 58 58 LYS CD C 29.4 0.2 1 676 58 58 LYS CE C 42.1 0.2 1 677 58 58 LYS CG C 25.3 0.2 1 678 58 58 LYS N N 117.4 0.2 1 679 59 59 ASN H H 7.63 0.02 1 680 59 59 ASN HA H 5.31 0.02 1 681 59 59 ASN HB2 H 2.77 0.02 2 682 59 59 ASN HB3 H 2.92 0.02 2 683 59 59 ASN HD21 H 7.79 0.02 2 684 59 59 ASN HD22 H 6.77 0.02 2 685 59 59 ASN C C 174.9 0.2 1 686 59 59 ASN CA C 52.1 0.2 1 687 59 59 ASN CB C 40.2 0.2 1 688 59 59 ASN N N 119.2 0.2 1 689 59 59 ASN ND2 N 115.4 0.2 1 690 60 60 LYS H H 7.46 0.02 1 691 60 60 LYS HA H 4.07 0.02 1 692 60 60 LYS HB2 H 1.98 0.02 2 693 60 60 LYS HB3 H 1.84 0.02 2 694 60 60 LYS HD2 H 1.58 0.02 2 695 60 60 LYS HD3 H 1.71 0.02 2 696 60 60 LYS HE2 H 2.98 0.02 1 697 60 60 LYS HE3 H 2.98 0.02 1 698 60 60 LYS HG2 H 1.44 0.02 1 699 60 60 LYS HG3 H 1.44 0.02 1 700 60 60 LYS C C 177.9 0.2 1 701 60 60 LYS CA C 61.1 0.2 1 702 60 60 LYS CB C 33.3 0.2 1 703 60 60 LYS CD C 29.3 0.2 1 704 60 60 LYS CE C 42.3 0.2 1 705 60 60 LYS CG C 24.6 0.2 1 706 60 60 LYS N N 122.7 0.2 1 707 61 61 GLU H H 8.66 0.02 1 708 61 61 GLU HA H 4.08 0.02 1 709 61 61 GLU HB2 H 2.21 0.02 2 710 61 61 GLU HB3 H 2.1 0.02 2 711 61 61 GLU HG2 H 2.43 0.02 1 712 61 61 GLU HG3 H 2.43 0.02 1 713 61 61 GLU C C 178.9 0.2 1 714 61 61 GLU CA C 60.1 0.2 1 715 61 61 GLU CB C 29.1 0.2 1 716 61 61 GLU CG C 36.9 0.2 1 717 61 61 GLU N N 117.3 0.2 1 718 62 62 PHE H H 7.67 0.02 1 719 62 62 PHE HA H 3.42 0.02 1 720 62 62 PHE HB2 H 1.92 0.02 2 721 62 62 PHE HB3 H 2.42 0.02 2 722 62 62 PHE HD1 H 5.68 0.02 1 723 62 62 PHE HD2 H 5.68 0.02 1 724 62 62 PHE HE1 H 6.68 0.02 1 725 62 62 PHE HE2 H 6.68 0.02 1 726 62 62 PHE HZ H 6.71 0.02 1 727 62 62 PHE C C 176.2 0.2 1 728 62 62 PHE CA C 60.9 0.2 1 729 62 62 PHE CB C 38.3 0.2 1 730 62 62 PHE CD1 C 131.5 0.2 1 731 62 62 PHE CD2 C 131.5 0.2 1 732 62 62 PHE CE1 C 130.9 0.2 1 733 62 62 PHE CE2 C 130.9 0.2 1 734 62 62 PHE CZ C 128.1 0.2 1 735 62 62 PHE N N 119.3 0.2 1 736 63 63 TYR H H 7.85 0.02 1 737 63 63 TYR HA H 3.87 0.02 1 738 63 63 TYR HB2 H 2.82 0.02 2 739 63 63 TYR HB3 H 2.48 0.02 2 740 63 63 TYR HD1 H 7.12 0.02 1 741 63 63 TYR HD2 H 7.12 0.02 1 742 63 63 TYR HE1 H 6.58 0.02 1 743 63 63 TYR HE2 H 6.58 0.02 1 744 63 63 TYR C C 180.2 0.2 1 745 63 63 TYR CA C 63.5 0.2 1 746 63 63 TYR CB C 37.1 0.2 1 747 63 63 TYR CD1 C 133.3 0.2 1 748 63 63 TYR CD2 C 133.3 0.2 1 749 63 63 TYR CE1 C 117.5 0.2 1 750 63 63 TYR CE2 C 117.5 0.2 1 751 63 63 TYR N N 116.5 0.2 1 752 64 64 ASP H H 9.11 0.02 1 753 64 64 ASP HA H 4.65 0.02 1 754 64 64 ASP HB2 H 2.65 0.02 2 755 64 64 ASP HB3 H 2.92 0.02 2 756 64 64 ASP C C 178.7 0.2 1 757 64 64 ASP CA C 57.6 0.2 1 758 64 64 ASP CB C 39.8 0.2 1 759 64 64 ASP N N 126.1 0.2 1 760 65 65 MET H H 7.6 0.02 1 761 65 65 MET HA H 4.14 0.02 1 762 65 65 MET HB2 H 1.85 0.02 2 763 65 65 MET HB3 H 2.19 0.02 2 764 65 65 MET HE H 2.05 0.02 1 765 65 65 MET HG2 H 2.72 0.02 2 766 65 65 MET HG3 H 2.49 0.02 2 767 65 65 MET C C 178.8 0.2 1 768 65 65 MET CA C 59.3 0.2 1 769 65 65 MET CB C 32.8 0.2 1 770 65 65 MET CE C 17.5 0.2 1 771 65 65 MET CG C 31.9 0.2 1 772 65 65 MET N N 121.1 0.2 1 773 66 66 ILE H H 7.91 0.02 1 774 66 66 ILE HA H 3.43 0.02 1 775 66 66 ILE HB H 1.81 0.02 1 776 66 66 ILE HD1 H 0.31 0.02 1 777 66 66 ILE HG12 H 0.9 0.02 2 778 66 66 ILE HG13 H 0.57 0.02 2 779 66 66 ILE HG2 H 0.66 0.02 1 780 66 66 ILE C C 177 0.2 1 781 66 66 ILE CA C 64.5 0.2 1 782 66 66 ILE CB C 36.7 0.2 1 783 66 66 ILE CD1 C 12.9 0.2 1 784 66 66 ILE CG1 C 27.7 0.2 1 785 66 66 ILE CG2 C 18 0.2 1 786 66 66 ILE N N 116.9 0.2 1 787 67 67 ALA H H 7.66 0.02 1 788 67 67 ALA HA H 3.94 0.02 1 789 67 67 ALA HB H 1.56 0.02 1 790 67 67 ALA C C 180.2 0.2 1 791 67 67 ALA CA C 55.6 0.2 1 792 67 67 ALA CB C 18 0.2 1 793 67 67 ALA N N 120.7 0.2 1 794 68 68 GLU H H 7.66 0.02 1 795 68 68 GLU HA H 4.04 0.02 1 796 68 68 GLU HB2 H 2.16 0.02 2 797 68 68 GLU HB3 H 2.09 0.02 2 798 68 68 GLU HG2 H 2.28 0.02 2 799 68 68 GLU HG3 H 2.32 0.02 2 800 68 68 GLU C C 179 0.2 1 801 68 68 GLU CA C 59.3 0.2 1 802 68 68 GLU CB C 29.5 0.2 1 803 68 68 GLU CG C 35.7 0.2 1 804 68 68 GLU N N 118.7 0.2 1 805 69 69 ILE H H 8.24 0.02 1 806 69 69 ILE HA H 3.63 0.02 1 807 69 69 ILE HB H 1.86 0.02 1 808 69 69 ILE HD1 H 0.39 0.02 1 809 69 69 ILE HG12 H 0.79 0.02 2 810 69 69 ILE HG13 H 1.71 0.02 2 811 69 69 ILE HG2 H 0.83 0.02 1 812 69 69 ILE C C 178.2 0.2 1 813 69 69 ILE CA C 65.7 0.2 1 814 69 69 ILE CB C 38.1 0.2 1 815 69 69 ILE CD1 C 13.6 0.2 1 816 69 69 ILE CG1 C 30.1 0.2 1 817 69 69 ILE CG2 C 18.5 0.2 1 818 69 69 ILE N N 120.7 0.2 1 819 70 70 LEU H H 8.77 0.02 1 820 70 70 LEU HA H 3.96 0.02 1 821 70 70 LEU HB2 H 1.14 0.02 2 822 70 70 LEU HB3 H 1.96 0.02 2 823 70 70 LEU HD1 H 0.76 0.02 2 824 70 70 LEU HD2 H 0.92 0.02 2 825 70 70 LEU HG H 1.77 0.02 1 826 70 70 LEU C C 179.3 0.2 1 827 70 70 LEU CA C 59.1 0.2 1 828 70 70 LEU CB C 43 0.2 1 829 70 70 LEU CD1 C 26.1 0.2 2 830 70 70 LEU CD2 C 23.8 0.2 2 831 70 70 LEU CG C 27 0.2 1 832 70 70 LEU N N 119.1 0.2 1 833 71 71 GLN H H 7.66 0.02 1 834 71 71 GLN HA H 3.96 0.02 1 835 71 71 GLN HB2 H 2.11 0.02 2 836 71 71 GLN HB3 H 2.18 0.02 2 837 71 71 GLN HE21 H 6.89 0.02 1 838 71 71 GLN HE22 H 6.67 0.02 1 839 71 71 GLN HG2 H 2.06 0.02 2 840 71 71 GLN HG3 H 2.49 0.02 2 841 71 71 GLN C C 177.7 0.2 1 842 71 71 GLN CA C 59.8 0.2 1 843 71 71 GLN CB C 30 0.2 1 844 71 71 GLN CG C 36.2 0.2 1 845 71 71 GLN N N 114.2 0.2 1 846 71 71 GLN NE2 N 109 0.2 1 847 72 72 ARG H H 8.18 0.02 1 848 72 72 ARG HA H 4 0.02 1 849 72 72 ARG HB2 H 1.36 0.02 2 850 72 72 ARG HB3 H 1.78 0.02 2 851 72 72 ARG HD2 H 2.95 0.02 2 852 72 72 ARG HD3 H 3.09 0.02 2 853 72 72 ARG HG2 H 1.47 0.02 2 854 72 72 ARG HG3 H 0.85 0.02 2 855 72 72 ARG C C 178.9 0.2 1 856 72 72 ARG CA C 58.9 0.2 1 857 72 72 ARG CB C 31.1 0.2 1 858 72 72 ARG CD C 43.7 0.2 1 859 72 72 ARG CG C 27.4 0.2 1 860 72 72 ARG N N 118.3 0.2 1 861 73 73 TYR H H 7.97 0.02 1 862 73 73 TYR HA H 4.8 0.02 1 863 73 73 TYR HB2 H 2.76 0.02 2 864 73 73 TYR HB3 H 3.16 0.02 2 865 73 73 TYR HD1 H 7.34 0.02 1 866 73 73 TYR HD2 H 7.34 0.02 1 867 73 73 TYR HE1 H 6.83 0.02 1 868 73 73 TYR HE2 H 6.83 0.02 1 869 73 73 TYR C C 178 0.2 1 870 73 73 TYR CA C 60.1 0.2 1 871 73 73 TYR CB C 41.2 0.2 1 872 73 73 TYR CD1 C 133.4 0.2 1 873 73 73 TYR CD2 C 133.4 0.2 1 874 73 73 TYR CE1 C 118 0.2 1 875 73 73 TYR CE2 C 118 0.2 1 876 73 73 TYR N N 111.5 0.2 1 877 74 74 TYR H H 8.75 0.02 1 878 74 74 TYR HA H 4.08 0.02 1 879 74 74 TYR HB2 H 2.9 0.02 2 880 74 74 TYR HB3 H 3.57 0.02 2 881 74 74 TYR HD1 H 7.29 0.02 1 882 74 74 TYR HD2 H 7.29 0.02 1 883 74 74 TYR HE1 H 6.93 0.02 1 884 74 74 TYR HE2 H 6.93 0.02 1 885 74 74 TYR C C 176.6 0.2 1 886 74 74 TYR CA C 62.4 0.2 1 887 74 74 TYR CB C 36.1 0.2 1 888 74 74 TYR CD1 C 133.6 0.2 1 889 74 74 TYR CD2 C 133.6 0.2 1 890 74 74 TYR CE1 C 118.5 0.2 1 891 74 74 TYR CE2 C 118.5 0.2 1 892 74 74 TYR N N 121.5 0.2 1 893 75 75 LYS H H 7.76 0.02 1 894 75 75 LYS HA H 3.71 0.02 1 895 75 75 LYS HB2 H 1.3 0.02 2 896 75 75 LYS HB3 H 1.55 0.02 2 897 75 75 LYS HD2 H 1.5 0.02 1 898 75 75 LYS HD3 H 1.5 0.02 1 899 75 75 LYS HE2 H 2.97 0.02 1 900 75 75 LYS HE3 H 2.97 0.02 1 901 75 75 LYS HG2 H 0.88 0.02 1 902 75 75 LYS HG3 H 0.88 0.02 1 903 75 75 LYS C C 177.5 0.2 1 904 75 75 LYS CA C 57.6 0.2 1 905 75 75 LYS CB C 31.8 0.2 1 906 75 75 LYS CD C 28.9 0.2 1 907 75 75 LYS CE C 42 0.2 1 908 75 75 LYS CG C 24.8 0.2 1 909 75 75 LYS N N 120.3 0.2 1 910 76 76 LYS H H 7.51 0.02 1 911 76 76 LYS HA H 4.23 0.02 1 912 76 76 LYS HB2 H 1.99 0.02 1 913 76 76 LYS HB3 H 1.99 0.02 1 914 76 76 LYS HD2 H 1.75 0.02 1 915 76 76 LYS HD3 H 1.75 0.02 1 916 76 76 LYS HE2 H 3.01 0.02 1 917 76 76 LYS HE3 H 3.01 0.02 1 918 76 76 LYS HG2 H 1.58 0.02 1 919 76 76 LYS HG3 H 1.58 0.02 1 920 76 76 LYS C C 177.9 0.2 1 921 76 76 LYS CA C 58.3 0.2 1 922 76 76 LYS CB C 33.7 0.2 1 923 76 76 LYS CD C 29.3 0.2 1 924 76 76 LYS CE C 42.2 0.2 1 925 76 76 LYS CG C 25.2 0.2 1 926 76 76 LYS N N 118 0.2 1 927 77 77 ILE H H 7.61 0.02 1 928 77 77 ILE HA H 4.67 0.02 1 929 77 77 ILE HB H 2.18 0.02 1 930 77 77 ILE HD1 H 0.67 0.02 1 931 77 77 ILE HG12 H 1.56 0.02 2 932 77 77 ILE HG13 H 1.21 0.02 2 933 77 77 ILE HG2 H 0.92 0.02 1 934 77 77 ILE C C 176 0.2 1 935 77 77 ILE CA C 60.6 0.2 1 936 77 77 ILE CB C 39.7 0.2 1 937 77 77 ILE CD1 C 13.2 0.2 1 938 77 77 ILE CG1 C 26.3 0.2 1 939 77 77 ILE CG2 C 17.8 0.2 1 940 77 77 ILE N N 108.2 0.2 1 941 78 78 GLY H H 7.39 0.02 1 942 78 78 GLY HA2 H 4.73 0.02 2 943 78 78 GLY HA3 H 3.97 0.02 2 944 78 78 GLY C C 175.8 0.2 1 945 78 78 GLY CA C 44.9 0.2 1 946 78 78 GLY N N 112.2 0.2 1 947 79 79 ILE H H 9.03 0.02 1 948 79 79 ILE HA H 4.08 0.02 1 949 79 79 ILE HB H 1.94 0.02 1 950 79 79 ILE HD1 H 0.85 0.02 1 951 79 79 ILE HG12 H 1.41 0.02 2 952 79 79 ILE HG13 H 1.29 0.02 2 953 79 79 ILE HG2 H 1.16 0.02 1 954 79 79 ILE C C 174.7 0.2 1 955 79 79 ILE CA C 62.9 0.2 1 956 79 79 ILE CB C 38.6 0.2 1 957 79 79 ILE CD1 C 15 0.2 1 958 79 79 ILE CG1 C 29.7 0.2 1 959 79 79 ILE CG2 C 18.6 0.2 1 960 79 79 ILE N N 125.7 0.2 1 961 80 80 GLU H H 9.48 0.02 1 962 80 80 GLU HA H 4.07 0.02 1 963 80 80 GLU HB2 H 2.08 0.02 2 964 80 80 GLU HB3 H 2.02 0.02 2 965 80 80 GLU HG2 H 2.34 0.02 1 966 80 80 GLU HG3 H 2.34 0.02 1 967 80 80 GLU C C 179.2 0.2 1 968 80 80 GLU CA C 59.7 0.2 1 969 80 80 GLU CB C 28.1 0.2 1 970 80 80 GLU CG C 36.2 0.2 1 971 80 80 GLU N N 122.4 0.2 1 972 81 81 ASN H H 7.57 0.02 1 973 81 81 ASN HA H 4.58 0.02 1 974 81 81 ASN HB2 H 2.58 0.02 2 975 81 81 ASN HB3 H 2.82 0.02 2 976 81 81 ASN HD21 H 7.95 0.02 2 977 81 81 ASN HD22 H 7.04 0.02 2 978 81 81 ASN C C 177.6 0.2 1 979 81 81 ASN CA C 55.6 0.2 1 980 81 81 ASN CB C 37.9 0.2 1 981 81 81 ASN N N 117 0.2 1 982 81 81 ASN ND2 N 113.6 0.2 1 983 82 82 VAL H H 8.18 0.02 1 984 82 82 VAL HA H 3.59 0.02 1 985 82 82 VAL HB H 2.11 0.02 1 986 82 82 VAL HG1 H 1.12 0.02 2 987 82 82 VAL HG2 H 1.01 0.02 2 988 82 82 VAL C C 176.9 0.2 1 989 82 82 VAL CA C 66.8 0.2 1 990 82 82 VAL CB C 31.1 0.2 1 991 82 82 VAL CG1 C 23 0.2 2 992 82 82 VAL CG2 C 24.2 0.2 2 993 82 82 VAL N N 120.9 0.2 1 994 83 83 ASN H H 8.44 0.02 1 995 83 83 ASN HA H 4.44 0.02 1 996 83 83 ASN HB2 H 2.51 0.02 2 997 83 83 ASN HB3 H 2.94 0.02 2 998 83 83 ASN HD21 H 7.59 0.02 1 999 83 83 ASN HD22 H 7.59 0.02 1 1000 83 83 ASN C C 177.7 0.2 1 1001 83 83 ASN CA C 56 0.2 1 1002 83 83 ASN CB C 37 0.2 1 1003 83 83 ASN N N 120.5 0.2 1 1004 83 83 ASN ND2 N 102.6 0.2 1 1005 84 84 GLN H H 7.55 0.02 1 1006 84 84 GLN HA H 4.05 0.02 1 1007 84 84 GLN HB2 H 2.22 0.02 1 1008 84 84 GLN HB3 H 2.22 0.02 1 1009 84 84 GLN HE21 H 7.54 0.02 1 1010 84 84 GLN HE22 H 6.8 0.02 1 1011 84 84 GLN HG2 H 2.5 0.02 1 1012 84 84 GLN HG3 H 2.5 0.02 1 1013 84 84 GLN C C 179 0.2 1 1014 84 84 GLN CA C 58.9 0.2 1 1015 84 84 GLN CB C 28.3 0.2 1 1016 84 84 GLN CG C 33.9 0.2 1 1017 84 84 GLN N N 116.9 0.2 1 1018 84 84 GLN NE2 N 112.5 0.2 1 1019 85 85 LEU H H 7.99 0.02 1 1020 85 85 LEU HA H 4.08 0.02 1 1021 85 85 LEU HB2 H 1.3 0.02 2 1022 85 85 LEU HB3 H 1.94 0.02 2 1023 85 85 LEU HD1 H 0.55 0.02 2 1024 85 85 LEU HD2 H 0.64 0.02 2 1025 85 85 LEU HG H 1.5 0.02 1 1026 85 85 LEU C C 180.4 0.2 1 1027 85 85 LEU CA C 58.2 0.2 1 1028 85 85 LEU CB C 41.7 0.2 1 1029 85 85 LEU CD1 C 25.4 0.2 2 1030 85 85 LEU CD2 C 22.8 0.2 2 1031 85 85 LEU CG C 26.6 0.2 1 1032 85 85 LEU N N 121.3 0.2 1 1033 86 86 ILE H H 8.63 0.02 1 1034 86 86 ILE HA H 3.56 0.02 1 1035 86 86 ILE HB H 2.06 0.02 1 1036 86 86 ILE HD1 H 0.89 0.02 1 1037 86 86 ILE HG12 H 2.06 0.02 2 1038 86 86 ILE HG13 H 0.75 0.02 2 1039 86 86 ILE HG2 H 0.77 0.02 1 1040 86 86 ILE C C 177.7 0.2 1 1041 86 86 ILE CA C 66.6 0.2 1 1042 86 86 ILE CB C 37.8 0.2 1 1043 86 86 ILE CD1 C 14.5 0.2 1 1044 86 86 ILE CG1 C 29.5 0.2 1 1045 86 86 ILE CG2 C 17.1 0.2 1 1046 86 86 ILE N N 122 0.2 1 1047 87 87 LEU H H 8.2 0.02 1 1048 87 87 LEU HA H 4.01 0.02 1 1049 87 87 LEU HB2 H 1.6 0.02 2 1050 87 87 LEU HB3 H 1.97 0.02 2 1051 87 87 LEU HD1 H 0.4 0.02 2 1052 87 87 LEU HD2 H 0.83 0.02 2 1053 87 87 LEU HG H 1.78 0.02 1 1054 87 87 LEU C C 179 0.2 1 1055 87 87 LEU CA C 58.2 0.2 1 1056 87 87 LEU CB C 40.8 0.2 1 1057 87 87 LEU CD1 C 22.2 0.2 2 1058 87 87 LEU CD2 C 25.8 0.2 2 1059 87 87 LEU CG C 26.3 0.2 1 1060 87 87 LEU N N 118.3 0.2 1 1061 88 88 THR H H 8.42 0.02 1 1062 88 88 THR HA H 4 0.02 1 1063 88 88 THR HB H 4.31 0.02 1 1064 88 88 THR HG2 H 1.33 0.02 1 1065 88 88 THR C C 176.3 0.2 1 1066 88 88 THR CA C 66.5 0.2 1 1067 88 88 THR CB C 69.4 0.2 1 1068 88 88 THR CG2 C 21.6 0.2 1 1069 88 88 THR N N 112.7 0.2 1 1070 89 89 THR H H 7.69 0.02 1 1071 89 89 THR HA H 4.04 0.02 1 1072 89 89 THR HB H 4.41 0.02 1 1073 89 89 THR HG2 H 1.22 0.02 1 1074 89 89 THR C C 175.5 0.2 1 1075 89 89 THR CA C 67.1 0.2 1 1076 89 89 THR CB C 68.5 0.2 1 1077 89 89 THR CG2 C 22.1 0.2 1 1078 89 89 THR N N 116.6 0.2 1 1079 90 90 ILE H H 8.33 0.02 1 1080 90 90 ILE HA H 4.42 0.02 1 1081 90 90 ILE HB H 2.26 0.02 1 1082 90 90 ILE HD1 H 0.92 0.02 1 1083 90 90 ILE HG12 H 1.68 0.02 1 1084 90 90 ILE HG13 H 1.68 0.02 1 1085 90 90 ILE HG2 H 1 0.02 1 1086 90 90 ILE C C 175.7 0.2 1 1087 90 90 ILE CA C 62 0.2 1 1088 90 90 ILE CB C 38.5 0.2 1 1089 90 90 ILE CD1 C 15.3 0.2 1 1090 90 90 ILE CG1 C 26.3 0.2 1 1091 90 90 ILE CG2 C 18.6 0.2 1 1092 90 90 ILE N N 125.3 0.2 1 1093 91 91 LYS H H 7.45 0.02 1 1094 91 91 LYS HA H 3.97 0.02 1 1095 91 91 LYS HB2 H 1.77 0.02 1 1096 91 91 LYS HB3 H 1.77 0.02 1 1097 91 91 LYS HD2 H 1.4 0.02 1 1098 91 91 LYS HD3 H 1.4 0.02 1 1099 91 91 LYS HE2 H 2.68 0.02 1 1100 91 91 LYS HE3 H 2.68 0.02 1 1101 91 91 LYS HG2 H 1.18 0.02 1 1102 91 91 LYS HG3 H 1.18 0.02 1 1103 91 91 LYS CA C 57.2 0.2 1 1104 91 91 LYS CB C 32.9 0.2 1 1105 91 91 LYS CD C 29.3 0.2 1 1106 91 91 LYS CE C 41.9 0.2 1 1107 91 91 LYS CG C 24.4 0.2 1 1108 91 91 LYS N N 123.6 0.2 1 stop_ save_