data_17298 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Resonance assignments of protein SSO1118 from hyperthermophilic archaeon Sulfolobus solfataricus P2 ; _BMRB_accession_number 17298 _BMRB_flat_file_name bmr17298.str _Entry_type original _Submission_date 2010-11-15 _Accession_date 2010-11-15 _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 . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 662 "13C chemical shifts" 510 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-13 update BMRB 'update entry citation' 2011-01-18 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Resonance assignments of a putative PilT N-terminus domain protein SSO1118 from hyperthermophilic archaeon Sulfolobus solfataricus P2.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21229398 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Xuan Jinsong . . 2 Song Xiaxia . . 3 Wang Jinfeng . . 4 Feng Yingang . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 5 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 161 _Page_last 164 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name sso1118 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label sso1118 $sso1118 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_sso1118 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common sso1118 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; MFAVISPSAFGKLKEILGSN KNYKFVITTLGVSFAIKSGI DIDSALDRGVIVRAFSHKPP KVGNLPQYESEAIMVAFELN ALLIAEDKDVINKAKELGVN AIPIEELLASSLEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PHE 3 ALA 4 VAL 5 ILE 6 SER 7 PRO 8 SER 9 ALA 10 PHE 11 GLY 12 LYS 13 LEU 14 LYS 15 GLU 16 ILE 17 LEU 18 GLY 19 SER 20 ASN 21 LYS 22 ASN 23 TYR 24 LYS 25 PHE 26 VAL 27 ILE 28 THR 29 THR 30 LEU 31 GLY 32 VAL 33 SER 34 PHE 35 ALA 36 ILE 37 LYS 38 SER 39 GLY 40 ILE 41 ASP 42 ILE 43 ASP 44 SER 45 ALA 46 LEU 47 ASP 48 ARG 49 GLY 50 VAL 51 ILE 52 VAL 53 ARG 54 ALA 55 PHE 56 SER 57 HIS 58 LYS 59 PRO 60 PRO 61 LYS 62 VAL 63 GLY 64 ASN 65 LEU 66 PRO 67 GLN 68 TYR 69 GLU 70 SER 71 GLU 72 ALA 73 ILE 74 MET 75 VAL 76 ALA 77 PHE 78 GLU 79 LEU 80 ASN 81 ALA 82 LEU 83 LEU 84 ILE 85 ALA 86 GLU 87 ASP 88 LYS 89 ASP 90 VAL 91 ILE 92 ASN 93 LYS 94 ALA 95 LYS 96 GLU 97 LEU 98 GLY 99 VAL 100 ASN 101 ALA 102 ILE 103 PRO 104 ILE 105 GLU 106 GLU 107 LEU 108 LEU 109 ALA 110 SER 111 SER 112 LEU 113 GLU 114 HIS 115 HIS 116 HIS 117 HIS 118 HIS 119 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-30 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 2MDT "A Pilt N-terminus Domain Protein Sso1118 From Hyperthemophilic Archaeon Sulfolobus Solfataricus P2" 100.00 119 100.00 100.00 9.72e-78 GB AAK41375 "Hypothetical protein SSO1118 [Sulfolobus solfataricus P2]" 93.28 150 100.00 100.00 1.24e-70 GB ACX92298 "conserved hypothetical protein [Sulfolobus solfataricus 98/2]" 93.28 111 100.00 100.00 7.70e-71 GB AKA74318 "hypothetical protein SULB_2124 [Sulfolobus solfataricus]" 93.28 111 100.00 100.00 7.70e-71 GB AKA77014 "hypothetical protein SULC_2122 [Sulfolobus solfataricus]" 93.28 111 100.00 100.00 7.70e-71 GB AKA79706 "hypothetical protein SULA_2123 [Sulfolobus solfataricus]" 93.28 111 100.00 100.00 7.70e-71 REF WP_009989751 "hypothetical protein [Sulfolobus solfataricus]" 93.28 111 100.00 100.00 7.70e-71 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $sso1118 crenarchaeotes 273057 Archaea . Sulfolobus '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 $sso1118 '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 _Isotopic_labeling $sso1118 0.8 mM 'natural abundance' 'potassium phosphate' 50 mM 'natural abundance' DSS 0.02 % 'natural abundance' 'sodium azide' 0.02 % 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % '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' processing 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_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _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_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HBHA(CBCA)(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CBCA)(CO)NH' _Sample_label $sample_1 save_ save_3D_HBHA(CBCA)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CBCA)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _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_for_aliphatic_region_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY-HSQC for aliphatic region' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY-HSQC_for_aromatic_region_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY-HSQC for aromatic region' _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' 0.05 . M pH 7.0 . 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_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HN(CA)CO' '3D HBHA(CBCA)(CO)NH' '3D HBHA(CBCA)NH' '3D HCCH-TOCSY' '3D (H)CCH-TOCSY' '3D 1H-15N NOESY-HSQC' '3D 1H-13C NOESY-HSQC for aliphatic region' '3D 1H-13C NOESY-HSQC for aromatic region' 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 sso1118 _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 1 1 MET HA H 3.82 0.02 1 2 1 1 MET HB2 H 2.02 0.02 1 3 1 1 MET HB3 H 2.02 0.02 1 4 1 1 MET HG2 H 2.43 0.02 2 5 1 1 MET HG3 H 2.56 0.02 2 6 1 1 MET HE H 2.04 0.02 1 7 1 1 MET C C 175.1 0.3 1 8 1 1 MET CA C 55.4 0.3 1 9 1 1 MET CB C 34.6 0.3 1 10 1 1 MET CG C 31.2 0.3 1 11 1 1 MET CE C 16.8 0.3 1 12 2 2 PHE H H 8.67 0.02 1 13 2 2 PHE HA H 5.42 0.02 1 14 2 2 PHE HB2 H 2.82 0.02 1 15 2 2 PHE HB3 H 2.82 0.02 1 16 2 2 PHE HD1 H 7.35 0.02 1 17 2 2 PHE HD2 H 7.35 0.02 1 18 2 2 PHE C C 175.3 0.3 1 19 2 2 PHE CA C 57.7 0.3 1 20 2 2 PHE CB C 42.1 0.3 1 21 2 2 PHE CD1 C 132.1 0.3 1 22 2 2 PHE CD2 C 132.1 0.3 1 23 2 2 PHE N N 123.1 0.2 1 24 3 3 ALA H H 8.56 0.02 1 25 3 3 ALA HA H 5.06 0.02 1 26 3 3 ALA HB H 0.81 0.02 1 27 3 3 ALA C C 175.2 0.3 1 28 3 3 ALA CA C 51.1 0.3 1 29 3 3 ALA CB C 21.1 0.3 1 30 3 3 ALA N N 122.4 0.2 1 31 4 4 VAL H H 9.39 0.02 1 32 4 4 VAL HA H 4.87 0.02 1 33 4 4 VAL HB H 1.9 0.02 1 34 4 4 VAL HG1 H 0.69 0.02 2 35 4 4 VAL HG2 H 0.93 0.02 2 36 4 4 VAL C C 174.7 0.3 1 37 4 4 VAL CA C 60.6 0.3 1 38 4 4 VAL CB C 33.3 0.3 1 39 4 4 VAL CG1 C 21.7 0.3 2 40 4 4 VAL CG2 C 21.2 0.3 2 41 4 4 VAL N N 124.8 0.2 1 42 5 5 ILE H H 8.89 0.02 1 43 5 5 ILE HA H 4.37 0.02 1 44 5 5 ILE HB H 2.02 0.02 1 45 5 5 ILE HG12 H 0.72 0.02 2 46 5 5 ILE HG13 H 1.95 0.02 2 47 5 5 ILE HG2 H 0.97 0.02 1 48 5 5 ILE HD1 H 0.62 0.02 1 49 5 5 ILE C C 175 0.3 1 50 5 5 ILE CA C 60.6 0.3 1 51 5 5 ILE CB C 39 0.3 1 52 5 5 ILE CG1 C 27.8 0.3 1 53 5 5 ILE CG2 C 18.7 0.3 1 54 5 5 ILE CD1 C 13.5 0.3 1 55 5 5 ILE N N 126.7 0.2 1 56 6 6 SER H H 8.59 0.02 1 57 6 6 SER HA H 4.46 0.02 1 58 6 6 SER HB2 H 3.96 0.02 2 59 6 6 SER HB3 H 4.19 0.02 2 60 6 6 SER C C 174 0.3 1 61 6 6 SER CA C 55.4 0.3 1 62 6 6 SER CB C 62.7 0.3 1 63 6 6 SER N N 123 0.2 1 64 7 7 PRO HA H 1.41 0.02 1 65 7 7 PRO HB2 H 1.02 0.02 2 66 7 7 PRO HB3 H 1.09 0.02 2 67 7 7 PRO HG2 H 1.53 0.02 2 68 7 7 PRO C C 177.6 0.3 1 69 7 7 PRO CA C 63.6 0.3 1 70 7 7 PRO CB C 31.4 0.3 1 71 7 7 PRO CG C 28.8 0.3 1 72 7 7 PRO CD C 50.6 0.3 1 73 8 8 SER H H 8.88 0.02 1 74 8 8 SER HA H 4.11 0.02 1 75 8 8 SER HB2 H 3.93 0.02 2 76 8 8 SER HB3 H 4.28 0.02 2 77 8 8 SER C C 174.8 0.3 1 78 8 8 SER CA C 61.3 0.3 1 79 8 8 SER CB C 63.4 0.3 1 80 8 8 SER N N 116.5 0.2 1 81 9 9 ALA H H 8.87 0.02 1 82 9 9 ALA HA H 4.67 0.02 1 83 9 9 ALA HB H 1.4 0.02 1 84 9 9 ALA C C 177.9 0.3 1 85 9 9 ALA CA C 51.4 0.3 1 86 9 9 ALA CB C 20 0.3 1 87 9 9 ALA N N 125.1 0.2 1 88 10 10 PHE H H 8.11 0.02 1 89 10 10 PHE HA H 4.46 0.02 1 90 10 10 PHE HB2 H 3.4 0.02 2 91 10 10 PHE HB3 H 3.51 0.02 2 92 10 10 PHE HD1 H 6.99 0.02 1 93 10 10 PHE HD2 H 6.99 0.02 1 94 10 10 PHE HE1 H 7.48 0.02 1 95 10 10 PHE HE2 H 7.48 0.02 1 96 10 10 PHE HZ H 6.7 0.02 1 97 10 10 PHE C C 178 0.3 1 98 10 10 PHE CA C 56.6 0.3 1 99 10 10 PHE CB C 36.6 0.3 1 100 10 10 PHE CD1 C 128.7 0.3 1 101 10 10 PHE CD2 C 128.7 0.3 1 102 10 10 PHE CE1 C 131.9 0.3 1 103 10 10 PHE CE2 C 131.9 0.3 1 104 10 10 PHE CZ C 131.1 0.3 1 105 10 10 PHE N N 117 0.2 1 106 11 11 GLY H H 9.11 0.02 1 107 11 11 GLY HA2 H 4.07 0.02 2 108 11 11 GLY HA3 H 3.93 0.02 2 109 11 11 GLY C C 174.6 0.3 1 110 11 11 GLY CA C 46.2 0.3 1 111 11 11 GLY N N 109.9 0.2 1 112 12 12 LYS H H 7.66 0.02 1 113 12 12 LYS HA H 4.98 0.02 1 114 12 12 LYS HB2 H 2.22 0.02 2 115 12 12 LYS HB3 H 1.56 0.02 2 116 12 12 LYS HG2 H 1.42 0.02 2 117 12 12 LYS HG3 H 1.28 0.02 2 118 12 12 LYS HD2 H 1.51 0.02 2 119 12 12 LYS HD3 H 1.63 0.02 2 120 12 12 LYS HE2 H 2.91 0.02 1 121 12 12 LYS HE3 H 2.91 0.02 1 122 12 12 LYS C C 175.9 0.3 1 123 12 12 LYS CA C 54.3 0.3 1 124 12 12 LYS CB C 32.7 0.3 1 125 12 12 LYS CG C 25.2 0.3 1 126 12 12 LYS CD C 29.4 0.3 1 127 12 12 LYS CE C 42.4 0.3 1 128 12 12 LYS N N 118.8 0.2 1 129 13 13 LEU H H 7.14 0.02 1 130 13 13 LEU HA H 3.75 0.02 1 131 13 13 LEU HB2 H 1.46 0.02 2 132 13 13 LEU HB3 H 1.72 0.02 2 133 13 13 LEU HG H 1.66 0.02 1 134 13 13 LEU HD1 H 0.55 0.02 2 135 13 13 LEU HD2 H 0.55 0.02 2 136 13 13 LEU C C 177.7 0.3 1 137 13 13 LEU CA C 59.3 0.3 1 138 13 13 LEU CB C 42.5 0.3 1 139 13 13 LEU CG C 27.1 0.3 1 140 13 13 LEU CD1 C 25 0.3 2 141 13 13 LEU CD2 C 24.2 0.3 2 142 13 13 LEU N N 120.1 0.2 1 143 14 14 LYS H H 8.63 0.02 1 144 14 14 LYS HA H 3.72 0.02 1 145 14 14 LYS HB2 H 1.65 0.02 2 146 14 14 LYS HB3 H 1.79 0.02 2 147 14 14 LYS HG2 H 1.43 0.02 2 148 14 14 LYS HG3 H 1.25 0.02 2 149 14 14 LYS HD2 H 1.64 0.02 1 150 14 14 LYS HD3 H 1.64 0.02 1 151 14 14 LYS HE2 H 2.95 0.02 1 152 14 14 LYS HE3 H 2.95 0.02 1 153 14 14 LYS C C 179.4 0.3 1 154 14 14 LYS CA C 60.4 0.3 1 155 14 14 LYS CB C 31.5 0.3 1 156 14 14 LYS CG C 24.8 0.3 1 157 14 14 LYS CD C 29.1 0.3 1 158 14 14 LYS CE C 42 0.3 1 159 14 14 LYS N N 116.7 0.2 1 160 15 15 GLU H H 8.79 0.02 1 161 15 15 GLU HA H 3.89 0.02 1 162 15 15 GLU HB2 H 1.84 0.02 2 163 15 15 GLU HB3 H 2.2 0.02 2 164 15 15 GLU HG2 H 2.47 0.02 2 165 15 15 GLU HG3 H 2.2 0.02 2 166 15 15 GLU C C 179.5 0.3 1 167 15 15 GLU CA C 60.4 0.3 1 168 15 15 GLU CB C 28.5 0.3 1 169 15 15 GLU CG C 37.7 0.3 1 170 15 15 GLU N N 121.1 0.2 1 171 16 16 ILE H H 8.27 0.02 1 172 16 16 ILE HA H 3.33 0.02 1 173 16 16 ILE HB H 1.64 0.02 1 174 16 16 ILE HG12 H 0.61 0.02 2 175 16 16 ILE HG13 H 1.86 0.02 2 176 16 16 ILE HG2 H 0.23 0.02 1 177 16 16 ILE HD1 H 0.73 0.02 1 178 16 16 ILE C C 178.3 0.3 1 179 16 16 ILE CA C 65.7 0.3 1 180 16 16 ILE CB C 38.9 0.3 1 181 16 16 ILE CG1 C 29.3 0.3 1 182 16 16 ILE CG2 C 17.5 0.3 1 183 16 16 ILE CD1 C 14.9 0.3 1 184 16 16 ILE N N 119.5 0.2 1 185 17 17 LEU H H 8.21 0.02 1 186 17 17 LEU HA H 3.8 0.02 1 187 17 17 LEU HB2 H 1.33 0.02 2 188 17 17 LEU HB3 H 1.66 0.02 2 189 17 17 LEU HG H 1.62 0.02 1 190 17 17 LEU HD1 H 0.37 0.02 2 191 17 17 LEU HD2 H 0.63 0.02 2 192 17 17 LEU C C 178.6 0.3 1 193 17 17 LEU CA C 56.9 0.3 1 194 17 17 LEU CB C 40.4 0.3 1 195 17 17 LEU CG C 26.3 0.3 1 196 17 17 LEU CD1 C 22.3 0.3 2 197 17 17 LEU CD2 C 25.6 0.3 2 198 17 17 LEU N N 117 0.2 1 199 18 18 GLY H H 7.61 0.02 1 200 18 18 GLY HA2 H 4.32 0.02 2 201 18 18 GLY HA3 H 3.71 0.02 2 202 18 18 GLY C C 174.4 0.3 1 203 18 18 GLY CA C 45.1 0.3 1 204 18 18 GLY N N 105.2 0.2 1 205 19 19 SER H H 7.45 0.02 1 206 19 19 SER HA H 4.23 0.02 1 207 19 19 SER HB2 H 4.02 0.02 2 208 19 19 SER HB3 H 4.14 0.02 2 209 19 19 SER C C 174.5 0.3 1 210 19 19 SER CA C 59.8 0.3 1 211 19 19 SER CB C 64.4 0.3 1 212 19 19 SER N N 114.7 0.2 1 213 20 20 ASN H H 8.31 0.02 1 214 20 20 ASN HA H 4.7 0.02 1 215 20 20 ASN HB2 H 2.94 0.02 2 216 20 20 ASN HB3 H 2.85 0.02 2 217 20 20 ASN HD21 H 7.57 0.02 2 218 20 20 ASN HD22 H 6.82 0.02 2 219 20 20 ASN C C 175.2 0.3 1 220 20 20 ASN CA C 53.6 0.3 1 221 20 20 ASN CB C 38.3 0.3 1 222 20 20 ASN N N 118.8 0.2 1 223 20 20 ASN ND2 N 112.5 0.2 1 224 21 21 LYS H H 8.24 0.02 1 225 21 21 LYS HA H 4.35 0.02 1 226 21 21 LYS HB2 H 1.64 0.02 1 227 21 21 LYS HB3 H 1.64 0.02 1 228 21 21 LYS HG2 H 1.42 0.02 1 229 21 21 LYS HG3 H 1.42 0.02 1 230 21 21 LYS HD2 H 1.71 0.02 1 231 21 21 LYS HD3 H 1.71 0.02 1 232 21 21 LYS HE2 H 3.01 0.02 1 233 21 21 LYS HE3 H 3.01 0.02 1 234 21 21 LYS C C 176.6 0.3 1 235 21 21 LYS CA C 55.3 0.3 1 236 21 21 LYS CB C 33 0.3 1 237 21 21 LYS CG C 24.8 0.3 1 238 21 21 LYS CD C 29.1 0.3 1 239 21 21 LYS CE C 42.3 0.3 1 240 21 21 LYS N N 119.3 0.2 1 241 22 22 ASN H H 8.53 0.02 1 242 22 22 ASN HA H 4.56 0.02 1 243 22 22 ASN HB2 H 2.71 0.02 2 244 22 22 ASN HB3 H 2.57 0.02 2 245 22 22 ASN HD21 H 6.81 0.02 2 246 22 22 ASN HD22 H 7.47 0.02 2 247 22 22 ASN C C 174.9 0.3 1 248 22 22 ASN CA C 53.3 0.3 1 249 22 22 ASN CB C 37.7 0.3 1 250 22 22 ASN N N 117.9 0.2 1 251 22 22 ASN ND2 N 112.7 0.2 1 252 23 23 TYR H H 6.98 0.02 1 253 23 23 TYR HA H 4.56 0.02 1 254 23 23 TYR HB2 H 1.57 0.02 2 255 23 23 TYR HB3 H 2.07 0.02 2 256 23 23 TYR HD1 H 6.64 0.02 1 257 23 23 TYR HD2 H 6.64 0.02 1 258 23 23 TYR HE1 H 6.62 0.02 1 259 23 23 TYR HE2 H 6.62 0.02 1 260 23 23 TYR C C 174.8 0.3 1 261 23 23 TYR CA C 55.9 0.3 1 262 23 23 TYR CB C 39.1 0.3 1 263 23 23 TYR CD1 C 131.6 0.3 1 264 23 23 TYR CD2 C 131.6 0.3 1 265 23 23 TYR CE1 C 118.1 0.3 1 266 23 23 TYR CE2 C 118.1 0.3 1 267 23 23 TYR N N 118 0.2 1 268 24 24 LYS H H 8.09 0.02 1 269 24 24 LYS HA H 4.49 0.02 1 270 24 24 LYS HB2 H 1.36 0.02 2 271 24 24 LYS HB3 H 1.62 0.02 2 272 24 24 LYS HG2 H 1.34 0.02 2 273 24 24 LYS HG3 H 1.24 0.02 2 274 24 24 LYS HD2 H 1.5 0.02 2 275 24 24 LYS HD3 H 1.57 0.02 2 276 24 24 LYS HE2 H 2.82 0.02 1 277 24 24 LYS HE3 H 2.82 0.02 1 278 24 24 LYS C C 175.3 0.3 1 279 24 24 LYS CA C 54.3 0.3 1 280 24 24 LYS CB C 31.7 0.3 1 281 24 24 LYS CG C 24.2 0.3 1 282 24 24 LYS CD C 28.7 0.3 1 283 24 24 LYS CE C 42.1 0.3 1 284 24 24 LYS N N 121.4 0.2 1 285 25 25 PHE H H 8.86 0.02 1 286 25 25 PHE HA H 5.48 0.02 1 287 25 25 PHE HB2 H 2.9 0.02 1 288 25 25 PHE HB3 H 2.9 0.02 1 289 25 25 PHE HD1 H 7.25 0.02 1 290 25 25 PHE HD2 H 7.25 0.02 1 291 25 25 PHE C C 175.5 0.3 1 292 25 25 PHE CA C 59 0.3 1 293 25 25 PHE CB C 41.1 0.3 1 294 25 25 PHE CD1 C 132.1 0.3 1 295 25 25 PHE CD2 C 132.1 0.3 1 296 25 25 PHE N N 125.4 0.2 1 297 26 26 VAL H H 9.07 0.02 1 298 26 26 VAL HA H 5.2 0.02 1 299 26 26 VAL HB H 1.8 0.02 1 300 26 26 VAL HG1 H 0.7 0.02 2 301 26 26 VAL HG2 H 0.84 0.02 2 302 26 26 VAL C C 175.2 0.3 1 303 26 26 VAL CA C 60.3 0.3 1 304 26 26 VAL CB C 36.5 0.3 1 305 26 26 VAL CG1 C 21.3 0.3 2 306 26 26 VAL CG2 C 21.7 0.3 2 307 26 26 VAL N N 122.3 0.2 1 308 27 27 ILE H H 8.94 0.02 1 309 27 27 ILE HA H 4.82 0.02 1 310 27 27 ILE HB H 1.82 0.02 1 311 27 27 ILE HG12 H 1.5 0.02 2 312 27 27 ILE HG13 H 1.1 0.02 2 313 27 27 ILE HG2 H 1.16 0.02 1 314 27 27 ILE HD1 H 0.52 0.02 1 315 27 27 ILE C C 174.9 0.3 1 316 27 27 ILE CA C 59.8 0.3 1 317 27 27 ILE CB C 41.8 0.3 1 318 27 27 ILE CG1 C 27.3 0.3 1 319 27 27 ILE CG2 C 17.9 0.3 1 320 27 27 ILE CD1 C 14 0.3 1 321 27 27 ILE N N 123.2 0.2 1 322 28 28 THR H H 9.18 0.02 1 323 28 28 THR HA H 5.95 0.02 1 324 28 28 THR HB H 4.63 0.02 1 325 28 28 THR HG2 H 1.14 0.02 1 326 28 28 THR C C 176.6 0.3 1 327 28 28 THR CA C 60.6 0.3 1 328 28 28 THR CB C 69.5 0.3 1 329 28 28 THR CG2 C 21.7 0.3 1 330 28 28 THR N N 113.7 0.2 1 331 29 29 THR H H 7.7 0.02 1 332 29 29 THR HA H 3.71 0.02 1 333 29 29 THR HB H 4.24 0.02 1 334 29 29 THR HG2 H 1.29 0.02 1 335 29 29 THR C C 177.7 0.3 1 336 29 29 THR CA C 67.8 0.3 1 337 29 29 THR CB C 69.1 0.3 1 338 29 29 THR CG2 C 22.4 0.3 1 339 29 29 THR N N 116.8 0.2 1 340 30 30 LEU H H 10.19 0.02 1 341 30 30 LEU HA H 4.4 0.02 1 342 30 30 LEU HB2 H 1.48 0.02 2 343 30 30 LEU HB3 H 1.86 0.02 2 344 30 30 LEU HD1 H 0.82 0.02 2 345 30 30 LEU HD2 H 0.96 0.02 2 346 30 30 LEU C C 180.7 0.3 1 347 30 30 LEU CA C 57.4 0.3 1 348 30 30 LEU CB C 41.3 0.3 1 349 30 30 LEU CD1 C 26.3 0.3 2 350 30 30 LEU CD2 C 21.8 0.3 2 351 30 30 LEU N N 120.6 0.2 1 352 31 31 GLY H H 8 0.02 1 353 31 31 GLY HA2 H 3.91 0.02 2 354 31 31 GLY HA3 H 4.27 0.02 2 355 31 31 GLY C C 175.7 0.3 1 356 31 31 GLY CA C 48 0.3 1 357 31 31 GLY N N 112.4 0.2 1 358 32 32 VAL H H 8.52 0.02 1 359 32 32 VAL HA H 3.54 0.02 1 360 32 32 VAL HB H 2.47 0.02 1 361 32 32 VAL HG1 H 1.04 0.02 2 362 32 32 VAL HG2 H 0.95 0.02 2 363 32 32 VAL C C 177.8 0.3 1 364 32 32 VAL CA C 67.6 0.3 1 365 32 32 VAL CB C 31.2 0.3 1 366 32 32 VAL CG1 C 23.9 0.3 2 367 32 32 VAL CG2 C 21.5 0.3 2 368 32 32 VAL N N 123.8 0.2 1 369 33 33 SER H H 7.62 0.02 1 370 33 33 SER HA H 4.21 0.02 1 371 33 33 SER HB2 H 4.06 0.02 1 372 33 33 SER HB3 H 4.05 0.02 1 373 33 33 SER C C 176.9 0.3 1 374 33 33 SER CA C 62.3 0.3 1 375 33 33 SER CB C 62.8 0.3 1 376 33 33 SER N N 112.6 0.2 1 377 34 34 PHE H H 8.09 0.02 1 378 34 34 PHE HA H 4.18 0.02 1 379 34 34 PHE HB2 H 2.77 0.02 2 380 34 34 PHE HB3 H 2.98 0.02 2 381 34 34 PHE HD1 H 6.7 0.02 1 382 34 34 PHE HD2 H 6.7 0.02 1 383 34 34 PHE HE1 H 7.08 0.02 1 384 34 34 PHE HE2 H 7.08 0.02 1 385 34 34 PHE C C 178 0.3 1 386 34 34 PHE CA C 61.1 0.3 1 387 34 34 PHE CB C 38.7 0.3 1 388 34 34 PHE CD1 C 130.9 0.3 1 389 34 34 PHE CD2 C 130.9 0.3 1 390 34 34 PHE CE1 C 131 0.3 1 391 34 34 PHE CE2 C 131 0.3 1 392 34 34 PHE N N 121.9 0.2 1 393 35 35 ALA H H 8.9 0.02 1 394 35 35 ALA HA H 3.78 0.02 1 395 35 35 ALA HB H 1.55 0.02 1 396 35 35 ALA C C 179.1 0.3 1 397 35 35 ALA CA C 55.5 0.3 1 398 35 35 ALA CB C 18.1 0.3 1 399 35 35 ALA N N 125.1 0.2 1 400 36 36 ILE H H 8.39 0.02 1 401 36 36 ILE HA H 3.85 0.02 1 402 36 36 ILE HB H 1.91 0.02 1 403 36 36 ILE HG12 H 1.23 0.02 2 404 36 36 ILE HG13 H 1.8 0.02 2 405 36 36 ILE HG2 H 0.94 0.02 1 406 36 36 ILE HD1 H 0.85 0.02 1 407 36 36 ILE C C 180.6 0.3 1 408 36 36 ILE CA C 64.7 0.3 1 409 36 36 ILE CB C 38.2 0.3 1 410 36 36 ILE CG1 C 29 0.3 1 411 36 36 ILE CG2 C 17 0.3 1 412 36 36 ILE CD1 C 13.4 0.3 1 413 36 36 ILE N N 118.1 0.2 1 414 37 37 LYS H H 7.94 0.02 1 415 37 37 LYS HA H 4.02 0.02 1 416 37 37 LYS HB2 H 1.85 0.02 1 417 37 37 LYS HB3 H 1.85 0.02 1 418 37 37 LYS HG2 H 1.43 0.02 2 419 37 37 LYS HG3 H 1.53 0.02 2 420 37 37 LYS HD2 H 1.67 0.02 1 421 37 37 LYS HD3 H 1.67 0.02 1 422 37 37 LYS HE2 H 2.99 0.02 1 423 37 37 LYS HE3 H 2.99 0.02 1 424 37 37 LYS C C 178.1 0.3 1 425 37 37 LYS CA C 58.8 0.3 1 426 37 37 LYS CB C 32.3 0.3 1 427 37 37 LYS CG C 25 0.3 1 428 37 37 LYS CD C 29.3 0.3 1 429 37 37 LYS CE C 42.3 0.3 1 430 37 37 LYS N N 120.9 0.2 1 431 38 38 SER H H 7.63 0.02 1 432 38 38 SER HA H 4.3 0.02 1 433 38 38 SER HB2 H 3.65 0.02 2 434 38 38 SER HB3 H 3.58 0.02 2 435 38 38 SER C C 173.9 0.3 1 436 38 38 SER CA C 58.7 0.3 1 437 38 38 SER CB C 63.5 0.3 1 438 38 38 SER N N 111.6 0.2 1 439 39 39 GLY H H 7.72 0.02 1 440 39 39 GLY HA2 H 4.04 0.02 2 441 39 39 GLY HA3 H 3.81 0.02 2 442 39 39 GLY C C 174.5 0.3 1 443 39 39 GLY CA C 46 0.3 1 444 39 39 GLY N N 109.4 0.2 1 445 40 40 ILE H H 8.09 0.02 1 446 40 40 ILE HA H 3.95 0.02 1 447 40 40 ILE HB H 1.63 0.02 1 448 40 40 ILE HG12 H 1.24 0.02 2 449 40 40 ILE HG13 H 1.35 0.02 2 450 40 40 ILE HG2 H 0.62 0.02 1 451 40 40 ILE HD1 H 0.85 0.02 1 452 40 40 ILE C C 175.9 0.3 1 453 40 40 ILE CA C 59.8 0.3 1 454 40 40 ILE CB C 38.3 0.3 1 455 40 40 ILE CG1 C 27.7 0.3 1 456 40 40 ILE CG2 C 16.6 0.3 1 457 40 40 ILE CD1 C 12.4 0.3 1 458 40 40 ILE N N 121.5 0.2 1 459 41 41 ASP H H 8.63 0.02 1 460 41 41 ASP HA H 4.66 0.02 1 461 41 41 ASP HB2 H 2.82 0.02 2 462 41 41 ASP HB3 H 2.64 0.02 2 463 41 41 ASP C C 176.2 0.3 1 464 41 41 ASP CA C 53.3 0.3 1 465 41 41 ASP CB C 39.1 0.3 1 466 41 41 ASP N N 126.6 0.2 1 467 42 42 ILE H H 8.24 0.02 1 468 42 42 ILE HA H 4.07 0.02 1 469 42 42 ILE HB H 1.6 0.02 1 470 42 42 ILE HG12 H 1.18 0.02 2 471 42 42 ILE HG13 H 1.29 0.02 2 472 42 42 ILE HG2 H 0.75 0.02 1 473 42 42 ILE HD1 H 0.51 0.02 1 474 42 42 ILE C C 176.4 0.3 1 475 42 42 ILE CA C 58.8 0.3 1 476 42 42 ILE CB C 38.9 0.3 1 477 42 42 ILE CG1 C 27.9 0.3 1 478 42 42 ILE CG2 C 18.2 0.3 1 479 42 42 ILE CD1 C 13 0.3 1 480 42 42 ILE N N 126 0.2 1 481 43 43 ASP H H 8.53 0.02 1 482 43 43 ASP HA H 4.3 0.02 1 483 43 43 ASP HB2 H 2.65 0.02 2 484 43 43 ASP HB3 H 2.69 0.02 2 485 43 43 ASP C C 178.6 0.3 1 486 43 43 ASP CA C 58.4 0.3 1 487 43 43 ASP CB C 40 0.3 1 488 43 43 ASP N N 124.9 0.2 1 489 44 44 SER H H 7.88 0.02 1 490 44 44 SER HA H 4.16 0.02 1 491 44 44 SER HB2 H 3.76 0.02 1 492 44 44 SER HB3 H 3.76 0.02 1 493 44 44 SER C C 176.2 0.3 1 494 44 44 SER CA C 60.7 0.3 1 495 44 44 SER CB C 62.1 0.3 1 496 44 44 SER N N 113.4 0.2 1 497 45 45 ALA H H 7.03 0.02 1 498 45 45 ALA HA H 3.98 0.02 1 499 45 45 ALA HB H 1.27 0.02 1 500 45 45 ALA C C 179.4 0.3 1 501 45 45 ALA CA C 54.6 0.3 1 502 45 45 ALA CB C 17.7 0.3 1 503 45 45 ALA N N 123.2 0.2 1 504 46 46 LEU H H 8.11 0.02 1 505 46 46 LEU HA H 4.26 0.02 1 506 46 46 LEU HB2 H 1.58 0.02 2 507 46 46 LEU HB3 H 1.96 0.02 2 508 46 46 LEU HG H 1.81 0.02 1 509 46 46 LEU HD1 H 0.84 0.02 2 510 46 46 LEU HD2 H 0.67 0.02 2 511 46 46 LEU C C 181.3 0.3 1 512 46 46 LEU CA C 57.8 0.3 1 513 46 46 LEU CB C 40.1 0.3 1 514 46 46 LEU CG C 26.6 0.3 1 515 46 46 LEU CD1 C 25.1 0.3 2 516 46 46 LEU CD2 C 22.4 0.3 2 517 46 46 LEU N N 119.3 0.2 1 518 47 47 ASP H H 8.21 0.02 1 519 47 47 ASP HA H 4.49 0.02 1 520 47 47 ASP HB2 H 2.76 0.02 2 521 47 47 ASP HB3 H 2.72 0.02 2 522 47 47 ASP C C 177.5 0.3 1 523 47 47 ASP CA C 56.8 0.3 1 524 47 47 ASP CB C 40.9 0.3 1 525 47 47 ASP N N 120 0.2 1 526 48 48 ARG H H 7.4 0.02 1 527 48 48 ARG HA H 4.44 0.02 1 528 48 48 ARG HB2 H 1.83 0.02 2 529 48 48 ARG HB3 H 2.27 0.02 2 530 48 48 ARG HG2 H 1.87 0.02 2 531 48 48 ARG HG3 H 1.74 0.02 2 532 48 48 ARG HD2 H 3.19 0.02 2 533 48 48 ARG HD3 H 3.11 0.02 2 534 48 48 ARG C C 176.8 0.3 1 535 48 48 ARG CA C 55.3 0.3 1 536 48 48 ARG CB C 30.3 0.3 1 537 48 48 ARG CG C 27.2 0.3 1 538 48 48 ARG CD C 43.5 0.3 1 539 48 48 ARG N N 117 0.2 1 540 49 49 GLY H H 7.84 0.02 1 541 49 49 GLY HA2 H 3.81 0.02 2 542 49 49 GLY HA3 H 4.4 0.02 2 543 49 49 GLY C C 175.4 0.3 1 544 49 49 GLY CA C 45.9 0.3 1 545 49 49 GLY N N 106.5 0.2 1 546 50 50 VAL H H 7.54 0.02 1 547 50 50 VAL HA H 4.14 0.02 1 548 50 50 VAL HB H 1.58 0.02 1 549 50 50 VAL HG1 H 0.78 0.02 2 550 50 50 VAL HG2 H 0.92 0.02 2 551 50 50 VAL C C 174.4 0.3 1 552 50 50 VAL CA C 63.9 0.3 1 553 50 50 VAL CB C 31.8 0.3 1 554 50 50 VAL CG1 C 22.2 0.3 2 555 50 50 VAL CG2 C 24.6 0.3 2 556 50 50 VAL N N 122.4 0.2 1 557 51 51 ILE H H 8.44 0.02 1 558 51 51 ILE HA H 4.5 0.02 1 559 51 51 ILE HB H 1.92 0.02 1 560 51 51 ILE HG12 H 1.27 0.02 2 561 51 51 ILE HG13 H 1.61 0.02 2 562 51 51 ILE HG2 H 0.95 0.02 1 563 51 51 ILE HD1 H 0.92 0.02 1 564 51 51 ILE C C 174.3 0.3 1 565 51 51 ILE CA C 60 0.3 1 566 51 51 ILE CB C 40.7 0.3 1 567 51 51 ILE CG1 C 26.9 0.3 1 568 51 51 ILE CG2 C 17.9 0.3 1 569 51 51 ILE CD1 C 14 0.3 1 570 51 51 ILE N N 124.2 0.2 1 571 52 52 VAL H H 8.26 0.02 1 572 52 52 VAL HA H 5.24 0.02 1 573 52 52 VAL HB H 1.86 0.02 1 574 52 52 VAL HG1 H 0.8 0.02 2 575 52 52 VAL HG2 H 0.8 0.02 2 576 52 52 VAL C C 177.2 0.3 1 577 52 52 VAL CA C 60.6 0.3 1 578 52 52 VAL CB C 32.9 0.3 1 579 52 52 VAL CG1 C 21.6 0.3 2 580 52 52 VAL CG2 C 21.6 0.3 2 581 52 52 VAL N N 122.9 0.2 1 582 53 53 ARG H H 8.22 0.02 1 583 53 53 ARG HA H 4.68 0.02 1 584 53 53 ARG HB2 H 1.66 0.02 2 585 53 53 ARG HB3 H 1.37 0.02 2 586 53 53 ARG HG2 H 1.45 0.02 1 587 53 53 ARG HG3 H 1.45 0.02 1 588 53 53 ARG HD2 H 3.2 0.02 2 589 53 53 ARG HD3 H 3.06 0.02 2 590 53 53 ARG C C 173.5 0.3 1 591 53 53 ARG CA C 53.4 0.3 1 592 53 53 ARG CB C 34.5 0.3 1 593 53 53 ARG CG C 27.5 0.3 1 594 53 53 ARG CD C 42.4 0.3 1 595 53 53 ARG N N 126.8 0.2 1 596 54 54 ALA H H 8.38 0.02 1 597 54 54 ALA HA H 4.79 0.02 1 598 54 54 ALA HB H 1.41 0.02 1 599 54 54 ALA C C 178.2 0.3 1 600 54 54 ALA CA C 50.3 0.3 1 601 54 54 ALA CB C 21.2 0.3 1 602 54 54 ALA N N 124.3 0.2 1 603 55 55 PHE H H 8.88 0.02 1 604 55 55 PHE HA H 4.85 0.02 1 605 55 55 PHE HB2 H 3.21 0.02 2 606 55 55 PHE HB3 H 3.11 0.02 2 607 55 55 PHE HD1 H 7.31 0.02 1 608 55 55 PHE HD2 H 7.31 0.02 1 609 55 55 PHE C C 175.9 0.3 1 610 55 55 PHE CA C 57 0.3 1 611 55 55 PHE CB C 40.3 0.3 1 612 55 55 PHE CD1 C 132 0.3 1 613 55 55 PHE CD2 C 132 0.3 1 614 55 55 PHE N N 122.3 0.2 1 615 56 56 SER H H 8.19 0.02 1 616 56 56 SER HA H 4.02 0.02 1 617 56 56 SER HB2 H 3.62 0.02 2 618 56 56 SER HB3 H 3.48 0.02 2 619 56 56 SER C C 173.3 0.3 1 620 56 56 SER CA C 60.1 0.3 1 621 56 56 SER CB C 62.9 0.3 1 622 56 56 SER N N 121.1 0.2 1 623 57 57 HIS H H 6.27 0.02 1 624 57 57 HIS HA H 4.63 0.02 1 625 57 57 HIS HB2 H 2.65 0.02 2 626 57 57 HIS HB3 H 3.15 0.02 2 627 57 57 HIS HD2 H 6.73 0.02 1 628 57 57 HIS C C 173.5 0.3 1 629 57 57 HIS CA C 54.4 0.3 1 630 57 57 HIS CB C 31.5 0.3 1 631 57 57 HIS CD2 C 120.4 0.3 1 632 57 57 HIS N N 118.1 0.2 1 633 58 58 LYS H H 8.26 0.02 1 634 58 58 LYS HA H 4.59 0.02 1 635 58 58 LYS HB2 H 1.79 0.02 1 636 58 58 LYS HB3 H 1.79 0.02 1 637 58 58 LYS HG2 H 1.46 0.02 1 638 58 58 LYS HG3 H 1.46 0.02 1 639 58 58 LYS HD2 H 1.7 0.02 1 640 58 58 LYS HD3 H 1.7 0.02 1 641 58 58 LYS HE2 H 3.01 0.02 1 642 58 58 LYS HE3 H 3.01 0.02 1 643 58 58 LYS C C 174.8 0.3 1 644 58 58 LYS CA C 54.9 0.3 1 645 58 58 LYS CB C 32 0.3 1 646 58 58 LYS CG C 24.8 0.3 1 647 58 58 LYS CD C 29.3 0.3 1 648 58 58 LYS CE C 42.1 0.3 1 649 58 58 LYS N N 121.5 0.2 1 650 59 59 PRO HA H 4.57 0.02 1 651 59 59 PRO HB2 H 1.9 0.02 2 652 59 59 PRO HB3 H 1.99 0.02 2 653 59 59 PRO HG2 H 2 0.02 2 654 59 59 PRO HG3 H 2.15 0.02 2 655 59 59 PRO HD2 H 3.69 0.02 2 656 59 59 PRO HD3 H 4.21 0.02 2 657 59 59 PRO CA C 61.2 0.3 1 658 59 59 PRO CB C 30.9 0.3 1 659 59 59 PRO CG C 28.1 0.3 1 660 59 59 PRO CD C 50.5 0.3 1 661 60 60 PRO HA H 4.54 0.02 1 662 60 60 PRO HB2 H 1.78 0.02 2 663 60 60 PRO HB3 H 2.17 0.02 2 664 60 60 PRO HG2 H 1.92 0.02 2 665 60 60 PRO HG3 H 1.71 0.02 2 666 60 60 PRO HD2 H 3.38 0.02 2 667 60 60 PRO HD3 H 3.85 0.02 2 668 60 60 PRO C C 175.7 0.3 1 669 60 60 PRO CA C 61.9 0.3 1 670 60 60 PRO CB C 32.3 0.3 1 671 60 60 PRO CG C 26.9 0.3 1 672 60 60 PRO CD C 50.5 0.3 1 673 61 61 LYS H H 8.41 0.02 1 674 61 61 LYS HA H 4.26 0.02 1 675 61 61 LYS HB2 H 1.75 0.02 2 676 61 61 LYS HB3 H 1.66 0.02 2 677 61 61 LYS HG2 H 1.42 0.02 2 678 61 61 LYS HG3 H 1.3 0.02 2 679 61 61 LYS HD2 H 1.65 0.02 1 680 61 61 LYS HD3 H 1.65 0.02 1 681 61 61 LYS HE2 H 2.98 0.02 1 682 61 61 LYS HE3 H 2.98 0.02 1 683 61 61 LYS C C 176.1 0.3 1 684 61 61 LYS CA C 56.4 0.3 1 685 61 61 LYS CB C 32.6 0.3 1 686 61 61 LYS CG C 24.8 0.3 1 687 61 61 LYS CD C 29.3 0.3 1 688 61 61 LYS CE C 42.2 0.3 1 689 61 61 LYS N N 121.5 0.2 1 690 62 62 VAL H H 8.52 0.02 1 691 62 62 VAL HA H 4.05 0.02 1 692 62 62 VAL HB H 1.86 0.02 1 693 62 62 VAL HG1 H 0.71 0.02 2 694 62 62 VAL HG2 H 0.71 0.02 2 695 62 62 VAL C C 174.6 0.3 1 696 62 62 VAL CA C 60.6 0.3 1 697 62 62 VAL CB C 32.5 0.3 1 698 62 62 VAL CG1 C 20.3 0.3 2 699 62 62 VAL CG2 C 20.3 0.3 2 700 62 62 VAL N N 128.1 0.2 1 701 63 63 GLY H H 8.61 0.02 1 702 63 63 GLY HA2 H 3.71 0.02 2 703 63 63 GLY HA3 H 3.65 0.02 2 704 63 63 GLY C C 173.8 0.3 1 705 63 63 GLY CA C 46.9 0.3 1 706 63 63 GLY N N 113.4 0.2 1 707 64 64 ASN HA H 4.86 0.02 1 708 64 64 ASN HB2 H 2.65 0.02 2 709 64 64 ASN HB3 H 2.89 0.02 2 710 64 64 ASN HD21 H 7.57 0.02 2 711 64 64 ASN HD22 H 6.87 0.02 2 712 64 64 ASN C C 175.7 0.3 1 713 64 64 ASN CA C 52 0.3 1 714 64 64 ASN CB C 38.7 0.3 1 715 64 64 ASN ND2 N 112.7 0.2 1 716 65 65 LEU H H 8.13 0.02 1 717 65 65 LEU HA H 4.29 0.02 1 718 65 65 LEU HB2 H 1.88 0.02 2 719 65 65 LEU HB3 H 1.05 0.02 2 720 65 65 LEU HG H 1.7 0.02 1 721 65 65 LEU HD1 H 0.63 0.02 2 722 65 65 LEU HD2 H 0.71 0.02 2 723 65 65 LEU C C 175.4 0.3 1 724 65 65 LEU CA C 53.4 0.3 1 725 65 65 LEU CB C 40.7 0.3 1 726 65 65 LEU CG C 26.9 0.3 1 727 65 65 LEU CD1 C 26.9 0.3 2 728 65 65 LEU CD2 C 23.5 0.3 2 729 65 65 LEU N N 120.4 0.2 1 730 66 66 PRO HA H 4.37 0.02 1 731 66 66 PRO HB2 H 1.46 0.02 2 732 66 66 PRO HB3 H 0.44 0.02 2 733 66 66 PRO HG2 H 1.93 0.02 2 734 66 66 PRO HG3 H 1.47 0.02 2 735 66 66 PRO HD2 H 3.1 0.02 2 736 66 66 PRO HD3 H 3.82 0.02 2 737 66 66 PRO CA C 61.7 0.3 1 738 66 66 PRO CB C 32.2 0.3 1 739 66 66 PRO CG C 27.7 0.3 1 740 66 66 PRO CD C 50.3 0.3 1 741 67 67 GLN HA H 4.06 0.02 1 742 67 67 GLN HB2 H 2.12 0.02 2 743 67 67 GLN HB3 H 2.02 0.02 2 744 67 67 GLN HG2 H 2.5 0.02 2 745 67 67 GLN HG3 H 2.36 0.02 2 746 67 67 GLN HE21 H 7.62 0.02 1 747 67 67 GLN HE22 H 6.84 0.02 1 748 67 67 GLN C C 177.2 0.3 1 749 67 67 GLN CA C 59.1 0.3 1 750 67 67 GLN CB C 28.9 0.3 1 751 67 67 GLN CG C 34.5 0.3 1 752 67 67 GLN NE2 N 111.6 0.2 1 753 68 68 TYR H H 6.59 0.02 1 754 68 68 TYR HA H 4.29 0.02 1 755 68 68 TYR HB2 H 2.86 0.02 1 756 68 68 TYR HB3 H 2.86 0.02 1 757 68 68 TYR HD1 H 6.76 0.02 1 758 68 68 TYR HD2 H 6.76 0.02 1 759 68 68 TYR HE1 H 6.69 0.02 1 760 68 68 TYR HE2 H 6.69 0.02 1 761 68 68 TYR C C 178 0.3 1 762 68 68 TYR CA C 57.7 0.3 1 763 68 68 TYR CB C 35.6 0.3 1 764 68 68 TYR CD1 C 133.5 0.3 1 765 68 68 TYR CD2 C 133.5 0.3 1 766 68 68 TYR CE1 C 119.1 0.3 1 767 68 68 TYR CE2 C 119.1 0.3 1 768 68 68 TYR N N 110 0.2 1 769 69 69 GLU H H 6.71 0.02 1 770 69 69 GLU HA H 5.14 0.02 1 771 69 69 GLU HB2 H 1.98 0.02 2 772 69 69 GLU HB3 H 1.58 0.02 2 773 69 69 GLU HG2 H 2.11 0.02 2 774 69 69 GLU HG3 H 1.95 0.02 2 775 69 69 GLU C C 178.2 0.3 1 776 69 69 GLU CA C 57.1 0.3 1 777 69 69 GLU CB C 29.9 0.3 1 778 69 69 GLU CG C 33.2 0.3 1 779 69 69 GLU N N 123 0.2 1 780 70 70 SER H H 7.67 0.02 1 781 70 70 SER HA H 3.89 0.02 1 782 70 70 SER HB2 H 3.78 0.02 1 783 70 70 SER HB3 H 3.78 0.02 1 784 70 70 SER C C 176.6 0.3 1 785 70 70 SER CA C 62.3 0.3 1 786 70 70 SER CB C 61.9 0.3 1 787 70 70 SER N N 114.6 0.2 1 788 71 71 GLU H H 8.42 0.02 1 789 71 71 GLU HA H 3.54 0.02 1 790 71 71 GLU HB2 H 2.08 0.02 1 791 71 71 GLU HB3 H 2.08 0.02 1 792 71 71 GLU HG2 H 2.4 0.02 2 793 71 71 GLU HG3 H 2.22 0.02 2 794 71 71 GLU C C 176.7 0.3 1 795 71 71 GLU CA C 60.6 0.3 1 796 71 71 GLU CB C 30.9 0.3 1 797 71 71 GLU CG C 39.7 0.3 1 798 71 71 GLU N N 117.1 0.2 1 799 72 72 ALA H H 6.92 0.02 1 800 72 72 ALA HA H 3.98 0.02 1 801 72 72 ALA HB H 1.66 0.02 1 802 72 72 ALA C C 178.4 0.3 1 803 72 72 ALA CA C 56 0.3 1 804 72 72 ALA CB C 16.6 0.3 1 805 72 72 ALA N N 119.7 0.2 1 806 73 73 ILE H H 7.91 0.02 1 807 73 73 ILE HA H 3.37 0.02 1 808 73 73 ILE HB H 1.77 0.02 1 809 73 73 ILE HG12 H 0.62 0.02 2 810 73 73 ILE HG13 H 1.93 0.02 2 811 73 73 ILE HG2 H 0.76 0.02 1 812 73 73 ILE HD1 H 0.66 0.02 1 813 73 73 ILE C C 177.2 0.3 1 814 73 73 ILE CA C 66.4 0.3 1 815 73 73 ILE CB C 38.2 0.3 1 816 73 73 ILE CG1 C 29.6 0.3 1 817 73 73 ILE CG2 C 17.5 0.3 1 818 73 73 ILE CD1 C 14.5 0.3 1 819 73 73 ILE N N 115.9 0.2 1 820 74 74 MET H H 8 0.02 1 821 74 74 MET HA H 4.42 0.02 1 822 74 74 MET HB2 H 1.2 0.02 2 823 74 74 MET HB3 H 0.92 0.02 2 824 74 74 MET HG2 H 1.98 0.02 2 825 74 74 MET HG3 H 2.37 0.02 2 826 74 74 MET HE H 1.72 0.02 1 827 74 74 MET C C 179.4 0.3 1 828 74 74 MET CA C 55.8 0.3 1 829 74 74 MET CB C 28.8 0.3 1 830 74 74 MET CG C 32.1 0.3 1 831 74 74 MET CE C 16.4 0.3 1 832 74 74 MET N N 115.5 0.2 1 833 75 75 VAL H H 8.71 0.02 1 834 75 75 VAL HA H 3.91 0.02 1 835 75 75 VAL HB H 1.98 0.02 1 836 75 75 VAL HG1 H 0.74 0.02 2 837 75 75 VAL HG2 H 1.07 0.02 2 838 75 75 VAL C C 177.4 0.3 1 839 75 75 VAL CA C 66.9 0.3 1 840 75 75 VAL CB C 31.2 0.3 1 841 75 75 VAL CG1 C 21.7 0.3 2 842 75 75 VAL CG2 C 24.5 0.3 2 843 75 75 VAL N N 121.3 0.2 1 844 76 76 ALA H H 8.12 0.02 1 845 76 76 ALA HA H 3.92 0.02 1 846 76 76 ALA HB H 1.43 0.02 1 847 76 76 ALA C C 179.6 0.3 1 848 76 76 ALA CA C 56.1 0.3 1 849 76 76 ALA CB C 17.5 0.3 1 850 76 76 ALA N N 121.6 0.2 1 851 77 77 PHE H H 8.71 0.02 1 852 77 77 PHE HA H 4.23 0.02 1 853 77 77 PHE HB2 H 3.03 0.02 2 854 77 77 PHE HB3 H 3.5 0.02 2 855 77 77 PHE HD1 H 7.19 0.02 1 856 77 77 PHE HD2 H 7.19 0.02 1 857 77 77 PHE HE1 H 7.44 0.02 1 858 77 77 PHE HE2 H 7.44 0.02 1 859 77 77 PHE C C 178.9 0.3 1 860 77 77 PHE CA C 61.3 0.3 1 861 77 77 PHE CB C 39 0.3 1 862 77 77 PHE CD1 C 131.7 0.3 1 863 77 77 PHE CD2 C 131.7 0.3 1 864 77 77 PHE CE1 C 131.7 0.3 1 865 77 77 PHE CE2 C 131.7 0.3 1 866 77 77 PHE N N 118.4 0.2 1 867 78 78 GLU H H 8.69 0.02 1 868 78 78 GLU HA H 4 0.02 1 869 78 78 GLU HB2 H 2.48 0.02 2 870 78 78 GLU HB3 H 2.28 0.02 2 871 78 78 GLU HG2 H 2.59 0.02 2 872 78 78 GLU HG3 H 2.4 0.02 2 873 78 78 GLU C C 178.3 0.3 1 874 78 78 GLU CA C 59.4 0.3 1 875 78 78 GLU CB C 30 0.3 1 876 78 78 GLU CG C 36.7 0.3 1 877 78 78 GLU N N 121.2 0.2 1 878 79 79 LEU H H 8.07 0.02 1 879 79 79 LEU HA H 4.22 0.02 1 880 79 79 LEU HB2 H 1.41 0.02 2 881 79 79 LEU HB3 H 1.53 0.02 2 882 79 79 LEU HG H 1.66 0.02 1 883 79 79 LEU HD1 H 0.17 0.02 2 884 79 79 LEU HD2 H 0.38 0.02 2 885 79 79 LEU C C 176.8 0.3 1 886 79 79 LEU CA C 54.2 0.3 1 887 79 79 LEU CB C 42.7 0.3 1 888 79 79 LEU CG C 26 0.3 1 889 79 79 LEU CD1 C 25.2 0.3 2 890 79 79 LEU CD2 C 21.6 0.3 2 891 79 79 LEU N N 115.6 0.2 1 892 80 80 ASN H H 7.91 0.02 1 893 80 80 ASN HA H 4.34 0.02 1 894 80 80 ASN HB2 H 2.75 0.02 2 895 80 80 ASN HB3 H 3.14 0.02 2 896 80 80 ASN HD21 H 7.49 0.02 2 897 80 80 ASN HD22 H 6.8 0.02 2 898 80 80 ASN C C 174.7 0.3 1 899 80 80 ASN CA C 54.4 0.3 1 900 80 80 ASN CB C 37.2 0.3 1 901 80 80 ASN N N 119.6 0.2 1 902 80 80 ASN ND2 N 112.3 0.2 1 903 81 81 ALA H H 8.78 0.02 1 904 81 81 ALA HA H 4.68 0.02 1 905 81 81 ALA HB H 1.3 0.02 1 906 81 81 ALA C C 177.6 0.3 1 907 81 81 ALA CA C 50.9 0.3 1 908 81 81 ALA CB C 24.2 0.3 1 909 81 81 ALA N N 119.5 0.2 1 910 82 82 LEU H H 7.5 0.02 1 911 82 82 LEU HA H 4.59 0.02 1 912 82 82 LEU HB2 H 1.37 0.02 1 913 82 82 LEU HB3 H 1.37 0.02 1 914 82 82 LEU HG H 1.45 0.02 1 915 82 82 LEU HD1 H 0.64 0.02 2 916 82 82 LEU HD2 H 0.67 0.02 2 917 82 82 LEU C C 175.5 0.3 1 918 82 82 LEU CA C 55.1 0.3 1 919 82 82 LEU CB C 44.3 0.3 1 920 82 82 LEU CG C 27.2 0.3 1 921 82 82 LEU CD1 C 25.2 0.3 2 922 82 82 LEU CD2 C 24.7 0.3 2 923 82 82 LEU N N 120.1 0.2 1 924 83 83 LEU H H 8.44 0.02 1 925 83 83 LEU HA H 5.22 0.02 1 926 83 83 LEU HB2 H 0.88 0.02 2 927 83 83 LEU HB3 H 1.57 0.02 2 928 83 83 LEU HG H 1.15 0.02 1 929 83 83 LEU HD1 H 0.72 0.02 2 930 83 83 LEU HD2 H 0.62 0.02 2 931 83 83 LEU C C 174.2 0.3 1 932 83 83 LEU CA C 53.3 0.3 1 933 83 83 LEU CB C 45.2 0.3 1 934 83 83 LEU CG C 28 0.3 1 935 83 83 LEU CD1 C 24.4 0.3 2 936 83 83 LEU CD2 C 28 0.3 2 937 83 83 LEU N N 124.8 0.2 1 938 84 84 ILE H H 9.05 0.02 1 939 84 84 ILE HA H 4.79 0.02 1 940 84 84 ILE HB H 1.78 0.02 1 941 84 84 ILE HG12 H 1.41 0.02 2 942 84 84 ILE HG13 H 1.07 0.02 2 943 84 84 ILE HG2 H 0.76 0.02 1 944 84 84 ILE HD1 H 0.8 0.02 1 945 84 84 ILE C C 174.5 0.3 1 946 84 84 ILE CA C 59 0.3 1 947 84 84 ILE CB C 38.6 0.3 1 948 84 84 ILE CG1 C 27.3 0.3 1 949 84 84 ILE CG2 C 18 0.3 1 950 84 84 ILE CD1 C 14.9 0.3 1 951 84 84 ILE N N 127 0.2 1 952 85 85 ALA H H 8.53 0.02 1 953 85 85 ALA HA H 4.55 0.02 1 954 85 85 ALA HB H 1.12 0.02 1 955 85 85 ALA C C 173.2 0.3 1 956 85 85 ALA CA C 51.3 0.3 1 957 85 85 ALA CB C 23.2 0.3 1 958 85 85 ALA N N 126.9 0.2 1 959 86 86 GLU H H 7.27 0.02 1 960 86 86 GLU HA H 4.76 0.02 1 961 86 86 GLU HB2 H 2.01 0.02 2 962 86 86 GLU HB3 H 1.66 0.02 2 963 86 86 GLU HG2 H 2.16 0.02 2 964 86 86 GLU HG3 H 2.28 0.02 2 965 86 86 GLU C C 175.8 0.3 1 966 86 86 GLU CA C 55.2 0.3 1 967 86 86 GLU CB C 33 0.3 1 968 86 86 GLU CG C 36.8 0.3 1 969 86 86 GLU N N 116.4 0.2 1 970 87 87 ASP H H 6.58 0.02 1 971 87 87 ASP HA H 4.63 0.02 1 972 87 87 ASP HB2 H 2.5 0.02 2 973 87 87 ASP HB3 H 2.65 0.02 2 974 87 87 ASP C C 176.7 0.3 1 975 87 87 ASP CA C 53.7 0.3 1 976 87 87 ASP CB C 42.3 0.3 1 977 87 87 ASP N N 117.5 0.2 1 978 88 88 LYS H H 9 0.02 1 979 88 88 LYS HA H 3.83 0.02 1 980 88 88 LYS HB2 H 1.86 0.02 1 981 88 88 LYS HB3 H 1.86 0.02 1 982 88 88 LYS HG2 H 1.49 0.02 2 983 88 88 LYS HG3 H 1.57 0.02 2 984 88 88 LYS HD2 H 1.68 0.02 1 985 88 88 LYS HD3 H 1.68 0.02 1 986 88 88 LYS HE2 H 3.04 0.02 1 987 88 88 LYS HE3 H 3.04 0.02 1 988 88 88 LYS C C 178 0.3 1 989 88 88 LYS CA C 59.1 0.3 1 990 88 88 LYS CB C 32 0.3 1 991 88 88 LYS CG C 24.9 0.3 1 992 88 88 LYS CD C 28.9 0.3 1 993 88 88 LYS CE C 42.3 0.3 1 994 88 88 LYS N N 127.4 0.2 1 995 89 89 ASP H H 8.48 0.02 1 996 89 89 ASP HA H 4.55 0.02 1 997 89 89 ASP HB2 H 2.53 0.02 2 998 89 89 ASP HB3 H 2.83 0.02 2 999 89 89 ASP C C 178.7 0.3 1 1000 89 89 ASP CA C 57.3 0.3 1 1001 89 89 ASP CB C 40.3 0.3 1 1002 89 89 ASP N N 120.2 0.2 1 1003 90 90 VAL H H 7.75 0.02 1 1004 90 90 VAL HA H 3.33 0.02 1 1005 90 90 VAL HB H 2.16 0.02 1 1006 90 90 VAL HG1 H 0.73 0.02 2 1007 90 90 VAL HG2 H 0.91 0.02 2 1008 90 90 VAL C C 177.1 0.3 1 1009 90 90 VAL CA C 66.7 0.3 1 1010 90 90 VAL CB C 31.5 0.3 1 1011 90 90 VAL CG1 C 20.8 0.3 2 1012 90 90 VAL CG2 C 23.1 0.3 2 1013 90 90 VAL N N 121.2 0.2 1 1014 91 91 ILE H H 7.6 0.02 1 1015 91 91 ILE HA H 3.18 0.02 1 1016 91 91 ILE HB H 1.74 0.02 1 1017 91 91 ILE HG12 H 0.53 0.02 2 1018 91 91 ILE HG13 H 1.53 0.02 2 1019 91 91 ILE HG2 H 0.8 0.02 1 1020 91 91 ILE HD1 H 0.62 0.02 1 1021 91 91 ILE C C 177.3 0.3 1 1022 91 91 ILE CA C 65.7 0.3 1 1023 91 91 ILE CB C 38.1 0.3 1 1024 91 91 ILE CG1 C 30.5 0.3 1 1025 91 91 ILE CG2 C 16.7 0.3 1 1026 91 91 ILE CD1 C 12.4 0.3 1 1027 91 91 ILE N N 117.3 0.2 1 1028 92 92 ASN H H 8.27 0.02 1 1029 92 92 ASN HA H 4.4 0.02 1 1030 92 92 ASN HB2 H 2.83 0.02 2 1031 92 92 ASN HB3 H 2.91 0.02 2 1032 92 92 ASN HD21 H 7.75 0.02 2 1033 92 92 ASN HD22 H 6.85 0.02 2 1034 92 92 ASN C C 178.8 0.3 1 1035 92 92 ASN CA C 56.3 0.3 1 1036 92 92 ASN CB C 38.1 0.3 1 1037 92 92 ASN N N 116.6 0.2 1 1038 92 92 ASN ND2 N 112.2 0.2 1 1039 93 93 LYS H H 8.33 0.02 1 1040 93 93 LYS HA H 4.04 0.02 1 1041 93 93 LYS HB2 H 1.54 0.02 2 1042 93 93 LYS HB3 H 1.86 0.02 2 1043 93 93 LYS HG2 H 1.24 0.02 2 1044 93 93 LYS HG3 H 1.62 0.02 2 1045 93 93 LYS HD2 H 1.66 0.02 2 1046 93 93 LYS HD3 H 1.49 0.02 2 1047 93 93 LYS HE2 H 2.87 0.02 2 1048 93 93 LYS HE3 H 2.78 0.02 2 1049 93 93 LYS C C 178.7 0.3 1 1050 93 93 LYS CA C 57.3 0.3 1 1051 93 93 LYS CB C 30.8 0.3 1 1052 93 93 LYS CG C 24.5 0.3 1 1053 93 93 LYS CD C 27.1 0.3 1 1054 93 93 LYS CE C 41.9 0.3 1 1055 93 93 LYS N N 119.6 0.2 1 1056 94 94 ALA H H 8.42 0.02 1 1057 94 94 ALA HA H 3.88 0.02 1 1058 94 94 ALA HB H 1.33 0.02 1 1059 94 94 ALA C C 180 0.3 1 1060 94 94 ALA CA C 55.2 0.3 1 1061 94 94 ALA CB C 19 0.3 1 1062 94 94 ALA N N 121 0.2 1 1063 95 95 LYS H H 8.39 0.02 1 1064 95 95 LYS HA H 4.4 0.02 1 1065 95 95 LYS HB2 H 1.97 0.02 1 1066 95 95 LYS HB3 H 1.97 0.02 1 1067 95 95 LYS HG2 H 1.69 0.02 1 1068 95 95 LYS HG3 H 1.69 0.02 1 1069 95 95 LYS HD2 H 1.77 0.02 2 1070 95 95 LYS HD3 H 1.85 0.02 2 1071 95 95 LYS HE2 H 3.08 0.02 1 1072 95 95 LYS HE3 H 3.08 0.02 1 1073 95 95 LYS C C 181.4 0.3 1 1074 95 95 LYS CA C 60 0.3 1 1075 95 95 LYS CB C 31.9 0.3 1 1076 95 95 LYS CG C 26.1 0.3 1 1077 95 95 LYS CD C 29.4 0.3 1 1078 95 95 LYS CE C 42 0.3 1 1079 95 95 LYS N N 118.2 0.2 1 1080 96 96 GLU H H 7.76 0.02 1 1081 96 96 GLU HA H 4.03 0.02 1 1082 96 96 GLU HB2 H 2.14 0.02 2 1083 96 96 GLU HB3 H 2.23 0.02 2 1084 96 96 GLU HG2 H 2.53 0.02 2 1085 96 96 GLU HG3 H 2.37 0.02 2 1086 96 96 GLU C C 178 0.3 1 1087 96 96 GLU CA C 59.3 0.3 1 1088 96 96 GLU CB C 29.7 0.3 1 1089 96 96 GLU CG C 36.4 0.3 1 1090 96 96 GLU N N 120.8 0.2 1 1091 97 97 LEU H H 7.34 0.02 1 1092 97 97 LEU HA H 4.28 0.02 1 1093 97 97 LEU HB2 H 1.7 0.02 2 1094 97 97 LEU HB3 H 1.62 0.02 2 1095 97 97 LEU HG H 1.65 0.02 1 1096 97 97 LEU HD1 H 0.65 0.02 2 1097 97 97 LEU HD2 H 0.65 0.02 2 1098 97 97 LEU C C 176.5 0.3 1 1099 97 97 LEU CA C 55 0.3 1 1100 97 97 LEU CB C 42.5 0.3 1 1101 97 97 LEU CG C 27 0.3 1 1102 97 97 LEU CD1 C 25.2 0.3 2 1103 97 97 LEU CD2 C 23.4 0.3 2 1104 97 97 LEU N N 118.2 0.2 1 1105 98 98 GLY H H 7.8 0.02 1 1106 98 98 GLY HA2 H 3.74 0.02 2 1107 98 98 GLY HA3 H 4.34 0.02 2 1108 98 98 GLY C C 174.5 0.3 1 1109 98 98 GLY CA C 45.5 0.3 1 1110 98 98 GLY N N 105.4 0.2 1 1111 99 99 VAL H H 8.08 0.02 1 1112 99 99 VAL HA H 4.06 0.02 1 1113 99 99 VAL HB H 1.86 0.02 1 1114 99 99 VAL HG1 H 0.7 0.02 2 1115 99 99 VAL HG2 H 0.72 0.02 2 1116 99 99 VAL C C 175.4 0.3 1 1117 99 99 VAL CA C 61.1 0.3 1 1118 99 99 VAL CB C 32.5 0.3 1 1119 99 99 VAL CG1 C 20.4 0.3 2 1120 99 99 VAL CG2 C 22.2 0.3 2 1121 99 99 VAL N N 122.7 0.2 1 1122 100 100 ASN H H 8.93 0.02 1 1123 100 100 ASN HA H 4.63 0.02 1 1124 100 100 ASN HB2 H 2.68 0.02 2 1125 100 100 ASN HB3 H 2.92 0.02 2 1126 100 100 ASN HD21 H 7.47 0.02 2 1127 100 100 ASN HD22 H 6.76 0.02 2 1128 100 100 ASN C C 172.1 0.3 1 1129 100 100 ASN CA C 52.5 0.3 1 1130 100 100 ASN CB C 37.1 0.3 1 1131 100 100 ASN N N 126.6 0.2 1 1132 100 100 ASN ND2 N 110.6 0.2 1 1133 101 101 ALA H H 7.2 0.02 1 1134 101 101 ALA HA H 5.71 0.02 1 1135 101 101 ALA HB H 1.24 0.02 1 1136 101 101 ALA C C 176.2 0.3 1 1137 101 101 ALA CA C 49.6 0.3 1 1138 101 101 ALA CB C 23.7 0.3 1 1139 101 101 ALA N N 127.8 0.2 1 1140 102 102 ILE H H 9.11 0.02 1 1141 102 102 ILE HA H 4.9 0.02 1 1142 102 102 ILE HB H 1.91 0.02 1 1143 102 102 ILE HG12 H 0.95 0.02 2 1144 102 102 ILE HG13 H 1.53 0.02 2 1145 102 102 ILE HG2 H 0.84 0.02 1 1146 102 102 ILE HD1 H 0.74 0.02 1 1147 102 102 ILE C C 171.8 0.3 1 1148 102 102 ILE CA C 57.5 0.3 1 1149 102 102 ILE CB C 41 0.3 1 1150 102 102 ILE CG1 C 24.9 0.3 1 1151 102 102 ILE CG2 C 18 0.3 1 1152 102 102 ILE CD1 C 14.1 0.3 1 1153 102 102 ILE N N 118.2 0.2 1 1154 103 103 PRO HA H 5.48 0.02 1 1155 103 103 PRO HB2 H 2.35 0.02 2 1156 103 103 PRO HB3 H 2.28 0.02 2 1157 103 103 PRO HG2 H 1.94 0.02 2 1158 103 103 PRO HG3 H 2.14 0.02 2 1159 103 103 PRO HD2 H 3.69 0.02 2 1160 103 103 PRO HD3 H 3.83 0.02 2 1161 103 103 PRO C C 178.9 0.3 1 1162 103 103 PRO CA C 61 0.3 1 1163 103 103 PRO CB C 32.5 0.3 1 1164 103 103 PRO CG C 27.8 0.3 1 1165 103 103 PRO CD C 50.5 0.3 1 1166 104 104 ILE H H 8.31 0.02 1 1167 104 104 ILE HA H 3.5 0.02 1 1168 104 104 ILE HB H 1.74 0.02 1 1169 104 104 ILE HG12 H 1.54 0.02 2 1170 104 104 ILE HG13 H 1 0.02 2 1171 104 104 ILE HG2 H 0.87 0.02 1 1172 104 104 ILE HD1 H 0.93 0.02 1 1173 104 104 ILE C C 177.5 0.3 1 1174 104 104 ILE CA C 64.8 0.3 1 1175 104 104 ILE CB C 37.6 0.3 1 1176 104 104 ILE CG1 C 29.3 0.3 1 1177 104 104 ILE CG2 C 18 0.3 1 1178 104 104 ILE CD1 C 15 0.3 1 1179 104 104 ILE N N 120.8 0.2 1 1180 105 105 GLU H H 9.4 0.02 1 1181 105 105 GLU HA H 3.94 0.02 1 1182 105 105 GLU HB2 H 2.04 0.02 2 1183 105 105 GLU HB3 H 2.01 0.02 2 1184 105 105 GLU HG2 H 2.37 0.02 2 1185 105 105 GLU HG3 H 2.3 0.02 2 1186 105 105 GLU C C 178.6 0.3 1 1187 105 105 GLU CA C 59.9 0.3 1 1188 105 105 GLU CB C 28.8 0.3 1 1189 105 105 GLU CG C 36.7 0.3 1 1190 105 105 GLU N N 117.6 0.2 1 1191 106 106 GLU H H 7.15 0.02 1 1192 106 106 GLU HA H 4.22 0.02 1 1193 106 106 GLU HB2 H 2.09 0.02 2 1194 106 106 GLU HB3 H 2.14 0.02 2 1195 106 106 GLU HG2 H 2.32 0.02 2 1196 106 106 GLU HG3 H 2.25 0.02 2 1197 106 106 GLU C C 178.5 0.3 1 1198 106 106 GLU CA C 58.4 0.3 1 1199 106 106 GLU CB C 29.7 0.3 1 1200 106 106 GLU CG C 36.6 0.3 1 1201 106 106 GLU N N 117.7 0.2 1 1202 107 107 LEU H H 7.54 0.02 1 1203 107 107 LEU HA H 4.16 0.02 1 1204 107 107 LEU HB2 H 2.21 0.02 2 1205 107 107 LEU HB3 H 1.47 0.02 2 1206 107 107 LEU HG H 1.69 0.02 1 1207 107 107 LEU HD1 H 1.02 0.02 2 1208 107 107 LEU HD2 H 1.04 0.02 2 1209 107 107 LEU C C 178.7 0.3 1 1210 107 107 LEU CA C 57.5 0.3 1 1211 107 107 LEU CB C 41.8 0.3 1 1212 107 107 LEU CG C 25.2 0.3 1 1213 107 107 LEU CD1 C 27.2 0.3 2 1214 107 107 LEU CD2 C 23.8 0.3 2 1215 107 107 LEU N N 121.4 0.2 1 1216 108 108 LEU H H 8.01 0.02 1 1217 108 108 LEU HA H 4.16 0.02 1 1218 108 108 LEU HB2 H 1.7 0.02 2 1219 108 108 LEU HB3 H 1.6 0.02 2 1220 108 108 LEU HG H 1.79 0.02 1 1221 108 108 LEU HD1 H 0.82 0.02 2 1222 108 108 LEU HD2 H 0.74 0.02 2 1223 108 108 LEU C C 177.7 0.3 1 1224 108 108 LEU CA C 56.1 0.3 1 1225 108 108 LEU CB C 40.8 0.3 1 1226 108 108 LEU CG C 26.5 0.3 1 1227 108 108 LEU CD1 C 25.7 0.3 2 1228 108 108 LEU CD2 C 22.1 0.3 2 1229 108 108 LEU N N 115.4 0.2 1 1230 109 109 ALA H H 7.45 0.02 1 1231 109 109 ALA HA H 4.31 0.02 1 1232 109 109 ALA HB H 1.5 0.02 1 1233 109 109 ALA C C 178.1 0.3 1 1234 109 109 ALA CA C 53.3 0.3 1 1235 109 109 ALA CB C 18.9 0.3 1 1236 109 109 ALA N N 121.7 0.2 1 1237 110 110 SER H H 8.06 0.02 1 1238 110 110 SER HA H 4.49 0.02 1 1239 110 110 SER HB2 H 3.98 0.02 1 1240 110 110 SER HB3 H 3.98 0.02 1 1241 110 110 SER C C 174.7 0.3 1 1242 110 110 SER CA C 58.7 0.3 1 1243 110 110 SER CB C 63.8 0.3 1 1244 110 110 SER N N 114.4 0.2 1 1245 111 111 SER H H 8.32 0.02 1 1246 111 111 SER HA H 4.56 0.02 1 1247 111 111 SER HB2 H 3.92 0.02 1 1248 111 111 SER HB3 H 3.92 0.02 1 1249 111 111 SER C C 174.3 0.3 1 1250 111 111 SER CA C 58.6 0.3 1 1251 111 111 SER CB C 63.8 0.3 1 1252 111 111 SER N N 117.8 0.2 1 1253 112 112 LEU H H 8.25 0.02 1 1254 112 112 LEU HA H 4.39 0.02 1 1255 112 112 LEU HB2 H 1.65 0.02 1 1256 112 112 LEU HB3 H 1.65 0.02 1 1257 112 112 LEU HG H 1.65 0.02 1 1258 112 112 LEU HD1 H 0.87 0.02 2 1259 112 112 LEU HD2 H 0.92 0.02 2 1260 112 112 LEU C C 176.5 0.3 1 1261 112 112 LEU CA C 55.4 0.3 1 1262 112 112 LEU CB C 42.4 0.3 1 1263 112 112 LEU CG C 27 0.3 1 1264 112 112 LEU CD1 C 23.3 0.3 2 1265 112 112 LEU CD2 C 25 0.3 2 1266 112 112 LEU N N 124.3 0.2 1 1267 113 113 GLU H H 7.9 0.02 1 1268 113 113 GLU HA H 4.12 0.02 1 1269 113 113 GLU HB2 H 1.87 0.02 2 1270 113 113 GLU HB3 H 2.04 0.02 2 1271 113 113 GLU HG2 H 2.19 0.02 1 1272 113 113 GLU HG3 H 2.19 0.02 1 1273 113 113 GLU C C 181.1 0.3 1 1274 113 113 GLU CA C 58.1 0.3 1 1275 113 113 GLU CB C 31.2 0.3 1 1276 113 113 GLU CG C 36.7 0.3 1 1277 113 113 GLU N N 126.2 0.2 1 1278 119 119 HIS H H 8.04 0.02 1 1279 119 119 HIS HA H 4.41 0.02 1 1280 119 119 HIS HB2 H 3.04 0.02 2 1281 119 119 HIS HB3 H 3.18 0.02 2 1282 119 119 HIS C C 179.3 0.3 1 1283 119 119 HIS CA C 57.1 0.3 1 1284 119 119 HIS CB C 30.6 0.3 1 1285 119 119 HIS N N 125.7 0.2 1 stop_ save_