data_7209 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of 1H, 13C, and 15N resonances for the PilP pilot protein from Neisseria meningitidis. ; _BMRB_accession_number 7209 _BMRB_flat_file_name bmr7209.str _Entry_type original _Submission_date 2006-07-04 _Accession_date 2006-07-05 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Golovanov Alexander P. . 2 Balasingham Seetha . . 3 Tzitzilonis Christos . . 4 Goult Benjamin T. . 5 Lian Lu-Yun . . 6 Homberset Havard . . 7 Tonjum Tone . . 8 Derrick Jeremy P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 625 "13C chemical shifts" 436 "15N chemical shifts" 116 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-02-09 update BMRB 'complete entry citation' 2006-10-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Assignment of 1H, 13C, and 15N resonances for the PilP pilot protein from Neisseria meningitidis' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 16933020 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Golovanov Alexander P. . 2 Balasingham Seetha . . 3 Tzitzilonis Christos . . 4 Goult Benjamin T. . 5 Lian Lu-Yun . . 6 Homberset Havard . . 7 Tonjum Tone . . 8 Derrick Jeremy P. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 36 _Journal_issue 'Suppl. 5' _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 68 _Page_last 68 _Year 2006 _Details . loop_ _Keyword lipoprotein 'Neisseria meningitidis' 'pilot protein' 'pilus biogenesis' secretin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PilP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PilP $PilP_pilot_protein stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'Pilot protein required for pilus assembly in bacteria' stop_ _Database_query_date . _Details 'The fragment of PilP 69-181 containing the folded domain.' save_ ######################## # Monomeric polymers # ######################## save_PilP_pilot_protein _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PilP _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; ETDKKGENAPDTKRIKETLE KFSLENMRYVGILKSGQKVS GFIEAEGYVYTVGVGNYLGQ NYGRIESITDDSIVLNELIE DSTGNWVSRKAELLLNSSDK NTEQAAAPAAEQN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 69 GLU 2 70 THR 3 71 ASP 4 72 LYS 5 73 LYS 6 74 GLY 7 75 GLU 8 76 ASN 9 77 ALA 10 78 PRO 11 79 ASP 12 80 THR 13 81 LYS 14 82 ARG 15 83 ILE 16 84 LYS 17 85 GLU 18 86 THR 19 87 LEU 20 88 GLU 21 89 LYS 22 90 PHE 23 91 SER 24 92 LEU 25 93 GLU 26 94 ASN 27 95 MET 28 96 ARG 29 97 TYR 30 98 VAL 31 99 GLY 32 100 ILE 33 101 LEU 34 102 LYS 35 103 SER 36 104 GLY 37 105 GLN 38 106 LYS 39 107 VAL 40 108 SER 41 109 GLY 42 110 PHE 43 111 ILE 44 112 GLU 45 113 ALA 46 114 GLU 47 115 GLY 48 116 TYR 49 117 VAL 50 118 TYR 51 119 THR 52 120 VAL 53 121 GLY 54 122 VAL 55 123 GLY 56 124 ASN 57 125 TYR 58 126 LEU 59 127 GLY 60 128 GLN 61 129 ASN 62 130 TYR 63 131 GLY 64 132 ARG 65 133 ILE 66 134 GLU 67 135 SER 68 136 ILE 69 137 THR 70 138 ASP 71 139 ASP 72 140 SER 73 141 ILE 74 142 VAL 75 143 LEU 76 144 ASN 77 145 GLU 78 146 LEU 79 147 ILE 80 148 GLU 81 149 ASP 82 150 SER 83 151 THR 84 152 GLY 85 153 ASN 86 154 TRP 87 155 VAL 88 156 SER 89 157 ARG 90 158 LYS 91 159 ALA 92 160 GLU 93 161 LEU 94 162 LEU 95 163 LEU 96 164 ASN 97 165 SER 98 166 SER 99 167 ASP 100 168 LYS 101 169 ASN 102 170 THR 103 171 GLU 104 172 GLN 105 173 ALA 106 174 ALA 107 175 ALA 108 176 PRO 109 177 ALA 110 178 ALA 111 179 GLU 112 180 GLN 113 181 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 2IVW "The Solution Structure Of A Domain From The Neisseria Meningitidis Pilp Pilot Protein" 99.12 113 100.00 100.00 7.94e-74 PDB 4AV2 "Single Particle Electron Microscopy Of Pilq Dodecameric Complexes From Neisseria Meningitidis." 100.00 181 100.00 100.00 4.71e-74 EMBL CAM07914 "pilus assembly protein [Neisseria meningitidis Z2491]" 100.00 181 100.00 100.00 4.71e-74 EMBL CAM09717 "pilus assembly protein [Neisseria meningitidis FAM18]" 100.00 181 100.00 100.00 4.71e-74 EMBL CAX50761 "type IV pilus biogenesis lipoprotein PilP [Neisseria meningitidis 8013]" 100.00 181 100.00 100.00 4.71e-74 EMBL CBA04083 "type IV pilus biogenesis protein PilP [Neisseria meningitidis alpha14]" 100.00 181 100.00 100.00 4.71e-74 EMBL CBA04812 "type 4 fimbrial biogenesis protein PilP [Neisseria meningitidis alpha153]" 100.00 181 100.00 100.00 4.71e-74 GB AAB52532 "PilP, partial [Neisseria gonorrhoeae]" 84.96 164 97.92 98.96 5.41e-60 GB AAF42147 "pilP protein [Neisseria meningitidis MC58]" 100.00 181 100.00 100.00 4.71e-74 GB AAW88856 "pilin assembly protein [Neisseria gonorrhoeae FA 1090]" 100.00 181 98.23 99.12 7.50e-73 GB ABX72622 "type IV pilus assembly protein PilP [Neisseria meningitidis 053442]" 100.00 181 100.00 100.00 4.46e-74 GB ACF28836 "PilP [Neisseria gonorrhoeae NCCP11945]" 100.00 155 98.23 99.12 4.36e-73 REF NP_274808 "pilP protein [Neisseria meningitidis MC58]" 100.00 181 100.00 100.00 4.71e-74 REF WP_002214522 "type IV pilus assembly protein PilP [Neisseria meningitidis]" 100.00 181 100.00 100.00 4.71e-74 REF WP_002217909 "hypothetical protein [Neisseria meningitidis]" 100.00 181 99.12 100.00 3.10e-73 REF WP_002219788 "type IV pilus assembly protein PilP [Neisseria meningitidis]" 100.00 181 99.12 99.12 2.47e-73 REF WP_002224058 "type IV pilus assembly protein PilP [Neisseria meningitidis]" 100.00 181 99.12 99.12 7.42e-73 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $PilP_pilot_protein 'Neisseria meningitidis' 487 Eubacteria . Neisseria meningitidis Z2491 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Cell_type _Vector_name $PilP_pilot_protein 'recombinant technology' 'E. coli' . . . BL21(DE3)* pET101/D-TOPO stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'PilP fragment, residues 69-181' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $PilP_pilot_protein . mM 0.5 1.0 '[U-13C; U-15N]' 'phosphate buffer' 20 mM . . . EDTA 1 mM . . . H2O 95 % . . . D2O 5 % . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'PilP fragment, residues 69-181' loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $PilP_pilot_protein . mM 0.5 1.0 . 'phosphate buffer' 20 mM . . . EDTA 1 mM . . . H2O 95 % . . . D2O 5 % . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model 'AVANCE DRX' _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCACO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HNCOCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _Sample_label . save_ save_HBHACONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _Sample_label . save_ save_CBCACONH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HCCH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_NOESY-HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-HSQC _Sample_label . save_ save_TOCSY-HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-HSQC _Sample_label . save_ save_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _Sample_label . save_ save_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label . save_ save_HNCO _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCACO _Saveframe_category NMR_applied_experiment _Experiment_name HNCACO _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HNCOCA _Saveframe_category NMR_applied_experiment _Experiment_name HNCOCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_HBHACONH _Saveframe_category NMR_applied_experiment _Experiment_name HBHACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_CBCACONH _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_HCCH-TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NOESY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_TOCSY-HSQC _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_TOCSY _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.1 0.1 pH temperature 303 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation 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_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label HNCO HNCACO HNCA HNCOCA HBHACONH CBCACONH HCCH-TOCSY NOESY-HSQC TOCSY-HSQC NOESY TOCSY stop_ loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $conditions_1 _Chem_shift_reference_set_label $chemical_shift_referencing _Mol_system_component_name PilP _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 GLU HA H 4.545 0.02 1 2 1 1 GLU HB2 H 2.043 0.02 1 3 1 1 GLU HB3 H 2.043 0.02 1 4 1 1 GLU HG2 H 2.604 0.02 1 5 1 1 GLU HG3 H 2.604 0.02 1 6 1 1 GLU CA C 56.980 0.1 1 7 1 1 GLU CB C 30.160 0.1 1 8 2 2 THR H H 8.118 0.02 1 9 2 2 THR HA H 4.357 0.02 1 10 2 2 THR HB H 4.421 0.02 1 11 2 2 THR HG2 H 1.204 0.02 1 12 2 2 THR C C 173.778 0.1 1 13 2 2 THR CA C 61.800 0.1 1 14 2 2 THR CB C 69.976 0.1 1 15 2 2 THR CG2 C 21.670 0.1 1 16 2 2 THR N N 113.637 0.1 1 17 3 3 ASP H H 8.514 0.02 1 18 3 3 ASP HA H 4.615 0.02 1 19 3 3 ASP HB2 H 2.701 0.02 1 20 3 3 ASP HB3 H 2.701 0.02 1 21 3 3 ASP C C 176.061 0.1 1 22 3 3 ASP CA C 54.444 0.1 1 23 3 3 ASP CB C 41.312 0.1 1 24 3 3 ASP N N 123.422 0.1 1 25 4 4 LYS H H 8.215 0.02 1 26 4 4 LYS HA H 4.363 0.02 1 27 4 4 LYS HB2 H 1.870 0.02 2 28 4 4 LYS HB3 H 1.770 0.02 2 29 4 4 LYS HG2 H 1.426 0.02 1 30 4 4 LYS HG3 H 1.426 0.02 1 31 4 4 LYS C C 176.443 0.1 1 32 4 4 LYS CA C 56.322 0.1 1 33 4 4 LYS CB C 32.856 0.1 1 34 4 4 LYS CG C 24.750 0.1 1 35 4 4 LYS CD C 28.980 0.1 1 36 4 4 LYS N N 121.769 0.1 1 37 5 5 LYS H H 8.414 0.02 1 38 5 5 LYS HA H 4.360 0.02 1 39 5 5 LYS HB2 H 1.770 0.02 1 40 5 5 LYS HB3 H 1.770 0.02 1 41 5 5 LYS HG2 H 1.422 0.02 1 42 5 5 LYS HG3 H 1.422 0.02 1 43 5 5 LYS HD2 H 1.708 0.02 1 44 5 5 LYS HD3 H 1.708 0.02 1 45 5 5 LYS HE2 H 2.924 0.02 1 46 5 5 LYS HE3 H 2.924 0.02 1 47 5 5 LYS C C 177.017 0.1 1 48 5 5 LYS CA C 56.391 0.1 1 49 5 5 LYS CB C 33.006 0.1 1 50 5 5 LYS CG C 24.720 0.1 1 51 5 5 LYS CD C 28.950 0.1 1 52 5 5 LYS CE C 41.900 0.1 1 53 5 5 LYS N N 123.078 0.1 1 54 6 6 GLY H H 8.389 0.02 1 55 6 6 GLY HA2 H 4.050 0.02 1 56 6 6 GLY HA3 H 4.050 0.02 1 57 6 6 GLY C C 174.322 0.1 1 58 6 6 GLY CA C 45.250 0.1 1 59 6 6 GLY N N 109.856 0.1 1 60 7 7 GLU H H 8.406 0.02 1 61 7 7 GLU HA H 4.341 0.02 1 62 7 7 GLU HB2 H 2.070 0.02 2 63 7 7 GLU HB3 H 1.880 0.02 2 64 7 7 GLU HG2 H 2.288 0.02 1 65 7 7 GLU HG3 H 2.288 0.02 1 66 7 7 GLU C C 176.437 0.1 1 67 7 7 GLU CA C 56.599 0.1 1 68 7 7 GLU CB C 30.462 0.1 1 69 7 7 GLU CG C 36.380 0.1 1 70 7 7 GLU N N 120.862 0.1 1 71 8 8 ASN H H 8.524 0.02 1 72 8 8 ASN HA H 4.576 0.02 1 73 8 8 ASN HB2 H 2.759 0.02 2 74 8 8 ASN HB3 H 2.766 0.02 2 75 8 8 ASN C C 173.537 0.1 1 76 8 8 ASN CA C 53.137 0.1 1 77 8 8 ASN CB C 38.800 0.1 1 78 8 8 ASN N N 118.405 0.1 1 79 9 9 ALA H H 8.186 0.02 1 80 9 9 ALA HA H 4.612 0.02 1 81 9 9 ALA HB H 1.360 0.02 1 82 9 9 ALA C C 175.600 0.1 1 83 9 9 ALA CA C 50.250 0.1 1 84 9 9 ALA CB C 18.338 0.1 1 85 9 9 ALA N N 124.907 0.1 1 86 10 10 PRO C C 175.300 0.1 1 87 10 10 PRO CA C 61.740 0.1 1 88 10 10 PRO CB C 31.300 0.1 1 89 11 11 ASP H H 7.815 0.02 1 90 11 11 ASP HA H 4.516 0.02 1 91 11 11 ASP HB2 H 2.655 0.02 1 92 11 11 ASP HB3 H 2.655 0.02 1 93 11 11 ASP C C 178.108 0.1 1 94 11 11 ASP CA C 53.540 0.1 1 95 11 11 ASP CB C 40.709 0.1 1 96 11 11 ASP N N 118.563 0.1 1 97 12 12 THR H H 8.221 0.02 1 98 12 12 THR HA H 4.257 0.02 1 99 12 12 THR HB H 4.472 0.02 1 100 12 12 THR HG2 H 1.175 0.02 1 101 12 12 THR C C 175.277 0.1 1 102 12 12 THR CA C 62.928 0.1 1 103 12 12 THR CB C 68.600 0.1 1 104 12 12 THR CG2 C 21.680 0.1 1 105 12 12 THR N N 118.361 0.1 1 106 13 13 LYS H H 8.343 0.02 1 107 13 13 LYS HA H 4.287 0.02 1 108 13 13 LYS HB2 H 1.856 0.02 1 109 13 13 LYS HB3 H 1.856 0.02 1 110 13 13 LYS HG2 H 1.438 0.02 1 111 13 13 LYS HG3 H 1.438 0.02 1 112 13 13 LYS C C 176.780 0.1 1 113 13 13 LYS CA C 56.184 0.1 1 114 13 13 LYS CB C 31.958 0.1 1 115 13 13 LYS CG C 25.150 0.1 1 116 13 13 LYS N N 121.703 0.1 1 117 14 14 ARG H H 6.896 0.02 1 118 14 14 ARG HA H 4.058 0.02 1 119 14 14 ARG HB2 H 1.566 0.02 1 120 14 14 ARG HB3 H 1.566 0.02 1 121 14 14 ARG HG2 H 1.382 0.02 1 122 14 14 ARG HG3 H 1.382 0.02 1 123 14 14 ARG C C 175.781 0.1 1 124 14 14 ARG CA C 56.390 0.1 1 125 14 14 ARG CB C 30.798 0.1 1 126 14 14 ARG CG C 27.350 0.1 1 127 14 14 ARG N N 121.597 0.1 1 128 15 15 ILE H H 8.394 0.02 1 129 15 15 ILE HA H 3.844 0.02 1 130 15 15 ILE HB H 1.765 0.02 1 131 15 15 ILE HG12 H 1.566 0.02 2 132 15 15 ILE HG13 H 1.293 0.02 2 133 15 15 ILE HG2 H 0.935 0.02 1 134 15 15 ILE HD1 H 0.886 0.02 1 135 15 15 ILE C C 176.031 0.1 1 136 15 15 ILE CA C 61.251 0.1 1 137 15 15 ILE CB C 37.178 0.1 1 138 15 15 ILE CG1 C 27.500 0.1 1 139 15 15 ILE CG2 C 17.215 0.1 1 140 15 15 ILE CD1 C 11.835 0.1 1 141 15 15 ILE N N 128.463 0.1 1 142 16 16 LYS H H 8.151 0.02 1 143 16 16 LYS HA H 4.043 0.02 1 144 16 16 LYS HB2 H 1.570 0.02 1 145 16 16 LYS HB3 H 1.570 0.02 1 146 16 16 LYS HG2 H 1.338 0.02 1 147 16 16 LYS HG3 H 1.338 0.02 1 148 16 16 LYS HD2 H 1.467 0.02 1 149 16 16 LYS HD3 H 1.467 0.02 1 150 16 16 LYS HE2 H 2.898 0.02 1 151 16 16 LYS HE3 H 2.898 0.02 1 152 16 16 LYS C C 177.614 0.1 1 153 16 16 LYS CA C 56.934 0.1 1 154 16 16 LYS CB C 32.776 0.1 1 155 16 16 LYS CG C 25.400 0.1 1 156 16 16 LYS CD C 29.021 0.1 1 157 16 16 LYS CE C 41.750 0.1 1 158 16 16 LYS N N 127.349 0.1 1 159 17 17 GLU H H 9.808 0.02 1 160 17 17 GLU HA H 4.399 0.02 1 161 17 17 GLU HB2 H 2.077 0.02 1 162 17 17 GLU HB3 H 2.077 0.02 1 163 17 17 GLU HG2 H 2.550 0.02 2 164 17 17 GLU HG3 H 2.460 0.02 2 165 17 17 GLU C C 178.720 0.1 1 166 17 17 GLU CA C 55.653 0.1 1 167 17 17 GLU CB C 30.445 0.1 1 168 17 17 GLU CG C 37.600 0.1 1 169 17 17 GLU N N 123.620 0.1 1 170 18 18 THR H H 8.684 0.02 1 171 18 18 THR HA H 3.706 0.02 1 172 18 18 THR HB H 4.067 0.02 1 173 18 18 THR HG2 H 1.241 0.02 1 174 18 18 THR C C 176.142 0.1 1 175 18 18 THR CA C 67.399 0.1 1 176 18 18 THR CB C 68.960 0.1 1 177 18 18 THR CG2 C 22.450 0.1 1 178 18 18 THR N N 119.998 0.1 1 179 19 19 LEU H H 8.300 0.02 1 180 19 19 LEU HA H 4.200 0.02 1 181 19 19 LEU HB2 H 1.907 0.02 2 182 19 19 LEU HB3 H 1.736 0.02 2 183 19 19 LEU HG H 1.240 0.02 1 184 19 19 LEU HD1 H 0.270 0.02 2 185 19 19 LEU HD2 H 0.658 0.02 2 186 19 19 LEU C C 178.189 0.1 1 187 19 19 LEU CA C 56.530 0.1 1 188 19 19 LEU CB C 41.144 0.1 1 189 19 19 LEU CG C 27.359 0.1 1 190 19 19 LEU CD1 C 22.015 0.1 2 191 19 19 LEU CD2 C 26.285 0.1 2 192 19 19 LEU N N 115.200 0.1 1 193 20 20 GLU H H 7.813 0.02 1 194 20 20 GLU HA H 4.698 0.02 1 195 20 20 GLU HB2 H 2.107 0.02 2 196 20 20 GLU HB3 H 2.078 0.02 2 197 20 20 GLU HG2 H 2.215 0.02 1 198 20 20 GLU HG3 H 2.215 0.02 1 199 20 20 GLU C C 176.236 0.1 1 200 20 20 GLU CA C 57.021 0.1 1 201 20 20 GLU CB C 29.827 0.1 1 202 20 20 GLU CG C 36.570 0.1 1 203 20 20 GLU N N 117.244 0.1 1 204 21 21 LYS H H 7.355 0.02 1 205 21 21 LYS HA H 4.043 0.02 1 206 21 21 LYS HB2 H 1.366 0.02 2 207 21 21 LYS HB3 H 1.352 0.02 2 208 21 21 LYS HG2 H 1.081 0.02 2 209 21 21 LYS HG3 H 0.970 0.02 2 210 21 21 LYS HD2 H 1.463 0.02 1 211 21 21 LYS HD3 H 1.463 0.02 1 212 21 21 LYS HE2 H 2.770 0.02 1 213 21 21 LYS HE3 H 2.770 0.02 1 214 21 21 LYS C C 175.775 0.1 1 215 21 21 LYS CA C 56.460 0.1 1 216 21 21 LYS CB C 31.756 0.1 1 217 21 21 LYS CG C 24.353 0.1 1 218 21 21 LYS CD C 29.003 0.1 1 219 21 21 LYS CE C 41.959 0.1 1 220 21 21 LYS N N 115.974 0.1 1 221 22 22 PHE H H 6.593 0.02 1 222 22 22 PHE HA H 4.812 0.02 1 223 22 22 PHE HB2 H 2.605 0.02 2 224 22 22 PHE HB3 H 3.203 0.02 2 225 22 22 PHE HD1 H 7.115 0.02 1 226 22 22 PHE HD2 H 7.115 0.02 1 227 22 22 PHE HE1 H 7.363 0.02 1 228 22 22 PHE HE2 H 7.363 0.02 1 229 22 22 PHE C C 174.147 0.1 1 230 22 22 PHE CA C 55.267 0.1 1 231 22 22 PHE CB C 41.915 0.1 1 232 22 22 PHE N N 117.054 0.1 1 233 23 23 SER H H 8.594 0.02 1 234 23 23 SER HA H 4.485 0.02 1 235 23 23 SER HB2 H 3.986 0.02 1 236 23 23 SER HB3 H 3.986 0.02 1 237 23 23 SER C C 177.023 0.1 1 238 23 23 SER CA C 57.442 0.1 1 239 23 23 SER CB C 63.814 0.1 1 240 23 23 SER N N 113.876 0.1 1 241 24 24 LEU H H 8.883 0.02 1 242 24 24 LEU HA H 4.058 0.02 1 243 24 24 LEU HB2 H 1.680 0.02 1 244 24 24 LEU HB3 H 1.680 0.02 1 245 24 24 LEU HG H 1.827 0.02 1 246 24 24 LEU HD1 H 0.825 0.02 2 247 24 24 LEU HD2 H 0.890 0.02 2 248 24 24 LEU C C 178.642 0.1 1 249 24 24 LEU CA C 58.357 0.1 1 250 24 24 LEU CB C 42.513 0.1 1 251 24 24 LEU CG C 27.240 0.1 1 252 24 24 LEU CD1 C 24.566 0.1 2 253 24 24 LEU CD2 C 25.683 0.1 2 254 24 24 LEU N N 126.800 0.1 1 255 25 25 GLU H H 8.584 0.02 1 256 25 25 GLU HA H 4.214 0.02 1 257 25 25 GLU HB2 H 2.050 0.02 1 258 25 25 GLU HB3 H 2.050 0.02 1 259 25 25 GLU HG2 H 2.330 0.02 1 260 25 25 GLU HG3 H 2.330 0.02 1 261 25 25 GLU C C 176.969 0.1 1 262 25 25 GLU CA C 58.565 0.1 1 263 25 25 GLU CB C 29.012 0.1 1 264 25 25 GLU CG C 36.660 0.1 1 265 25 25 GLU N N 113.300 0.1 1 266 26 26 ASN H H 7.861 0.02 1 267 26 26 ASN HA H 5.093 0.02 1 268 26 26 ASN HB2 H 2.748 0.02 2 269 26 26 ASN HB3 H 3.246 0.02 2 270 26 26 ASN HD21 H 7.078 0.02 1 271 26 26 ASN HD22 H 7.730 0.02 1 272 26 26 ASN C C 173.740 0.1 1 273 26 26 ASN CA C 52.671 0.1 1 274 26 26 ASN CB C 39.812 0.1 1 275 26 26 ASN N N 116.873 0.1 1 276 26 26 ASN ND2 N 112.160 0.1 1 277 27 27 MET H H 7.583 0.02 1 278 27 27 MET HA H 5.197 0.02 1 279 27 27 MET HB2 H 1.765 0.02 2 280 27 27 MET HB3 H 2.064 0.02 2 281 27 27 MET HG2 H 2.486 0.02 1 282 27 27 MET HG3 H 2.486 0.02 1 283 27 27 MET HE H 2.071 0.02 1 284 27 27 MET C C 174.581 0.1 1 285 27 27 MET CA C 55.267 0.1 1 286 27 27 MET CB C 36.362 0.1 1 287 27 27 MET CG C 32.258 0.1 1 288 27 27 MET CE C 17.666 0.1 1 289 27 27 MET N N 117.727 0.1 1 290 28 28 ARG H H 8.454 0.02 1 291 28 28 ARG HA H 4.827 0.02 1 292 28 28 ARG HB2 H 1.716 0.02 1 293 28 28 ARG HB3 H 1.716 0.02 1 294 28 28 ARG HG2 H 1.661 0.02 1 295 28 28 ARG HG3 H 1.661 0.02 1 296 28 28 ARG HD2 H 3.203 0.02 1 297 28 28 ARG HD3 H 3.203 0.02 1 298 28 28 ARG C C 174.704 0.1 1 299 28 28 ARG CA C 54.355 0.1 1 300 28 28 ARG CB C 34.199 0.1 1 301 28 28 ARG CG C 27.089 0.1 1 302 28 28 ARG CD C 43.320 0.1 1 303 28 28 ARG N N 117.139 0.1 1 304 29 29 TYR H H 9.587 0.02 1 305 29 29 TYR HA H 5.396 0.02 1 306 29 29 TYR HB2 H 2.961 0.02 2 307 29 29 TYR HB3 H 2.762 0.02 2 308 29 29 TYR HD1 H 7.160 0.02 1 309 29 29 TYR HD2 H 7.160 0.02 1 310 29 29 TYR HE1 H 6.631 0.02 1 311 29 29 TYR HE2 H 6.631 0.02 1 312 29 29 TYR C C 175.349 0.1 1 313 29 29 TYR CA C 54.941 0.1 1 314 29 29 TYR CB C 38.012 0.1 1 315 29 29 TYR N N 127.344 0.1 1 316 30 30 VAL H H 8.659 0.02 1 317 30 30 VAL HA H 4.662 0.02 1 318 30 30 VAL HB H 2.450 0.02 1 319 30 30 VAL HG1 H 0.877 0.02 2 320 30 30 VAL HG2 H 0.734 0.02 2 321 30 30 VAL C C 176.426 0.1 1 322 30 30 VAL CA C 61.232 0.1 1 323 30 30 VAL CB C 33.062 0.1 1 324 30 30 VAL CG1 C 21.770 0.1 2 325 30 30 VAL CG2 C 18.700 0.1 2 326 30 30 VAL N N 118.372 0.1 1 327 31 31 GLY H H 6.839 0.02 1 328 31 31 GLY HA2 H 3.740 0.02 2 329 31 31 GLY HA3 H 4.421 0.02 2 330 31 31 GLY C C 169.182 0.1 1 331 31 31 GLY CA C 46.145 0.1 1 332 31 31 GLY N N 108.195 0.1 1 333 32 32 ILE H H 8.382 0.02 1 334 32 32 ILE HA H 5.016 0.02 1 335 32 32 ILE HB H 1.997 0.02 1 336 32 32 ILE HG12 H 1.645 0.02 1 337 32 32 ILE HG13 H 1.645 0.02 1 338 32 32 ILE HG2 H 0.888 0.02 1 339 32 32 ILE HD1 H 0.640 0.02 1 340 32 32 ILE C C 173.081 0.1 1 341 32 32 ILE CA C 59.733 0.1 1 342 32 32 ILE CB C 41.321 0.1 1 343 32 32 ILE CG1 C 27.166 0.1 1 344 32 32 ILE CG2 C 15.081 0.1 1 345 32 32 ILE CD1 C 13.900 0.1 1 346 32 32 ILE N N 120.284 0.1 1 347 33 33 LEU H H 8.666 0.02 1 348 33 33 LEU HA H 4.648 0.02 1 349 33 33 LEU HB2 H 1.288 0.02 2 350 33 33 LEU HB3 H 1.515 0.02 2 351 33 33 LEU HG H 1.774 0.02 1 352 33 33 LEU HD1 H 0.877 0.02 2 353 33 33 LEU HD2 H 0.955 0.02 2 354 33 33 LEU C C 175.245 0.1 1 355 33 33 LEU CA C 54.324 0.1 1 356 33 33 LEU CB C 45.076 0.1 1 357 33 33 LEU CG C 28.100 0.1 1 358 33 33 LEU N N 128.190 0.1 1 359 34 34 LYS H H 8.900 0.02 1 360 34 34 LYS HA H 4.860 0.02 1 361 34 34 LYS HB2 H 1.883 0.02 2 362 34 34 LYS HB3 H 1.727 0.02 2 363 34 34 LYS HG2 H 1.345 0.02 1 364 34 34 LYS HG3 H 1.345 0.02 1 365 34 34 LYS HD2 H 1.761 0.02 1 366 34 34 LYS HD3 H 1.761 0.02 1 367 34 34 LYS HE2 H 3.001 0.02 1 368 34 34 LYS HE3 H 3.001 0.02 1 369 34 34 LYS C C 175.732 0.1 1 370 34 34 LYS CA C 55.560 0.1 1 371 34 34 LYS CB C 33.419 0.1 1 372 34 34 LYS CG C 25.125 0.1 1 373 34 34 LYS CD C 29.314 0.1 1 374 34 34 LYS CE C 41.746 0.1 1 375 34 34 LYS N N 127.045 0.1 1 376 35 35 SER H H 8.173 0.02 1 377 35 35 SER HA H 3.850 0.02 1 378 35 35 SER HB2 H 3.770 0.02 1 379 35 35 SER HB3 H 3.770 0.02 1 380 35 35 SER C C 174.974 0.1 1 381 35 35 SER CA C 56.634 0.1 1 382 35 35 SER CB C 63.664 0.1 1 383 35 35 SER N N 118.422 0.1 1 384 36 36 GLY H H 8.876 0.02 1 385 36 36 GLY HA2 H 3.790 0.02 2 386 36 36 GLY HA3 H 4.026 0.02 2 387 36 36 GLY C C 174.805 0.1 1 388 36 36 GLY CA C 46.680 0.1 1 389 36 36 GLY N N 115.535 0.1 1 390 37 37 GLN H H 8.801 0.02 1 391 37 37 GLN HA H 4.300 0.02 1 392 37 37 GLN HB2 H 2.290 0.02 2 393 37 37 GLN HB3 H 2.000 0.02 2 394 37 37 GLN HG2 H 2.390 0.02 1 395 37 37 GLN HG3 H 2.390 0.02 1 396 37 37 GLN C C 175.633 0.1 1 397 37 37 GLN CA C 56.495 0.1 1 398 37 37 GLN CB C 29.012 0.1 1 399 37 37 GLN CG C 33.760 0.1 1 400 37 37 GLN N N 122.701 0.1 1 401 38 38 LYS H H 7.928 0.02 1 402 38 38 LYS HA H 4.563 0.02 1 403 38 38 LYS HB2 H 1.869 0.02 1 404 38 38 LYS HB3 H 1.869 0.02 1 405 38 38 LYS HG2 H 1.423 0.02 1 406 38 38 LYS HG3 H 1.423 0.02 1 407 38 38 LYS HD2 H 1.700 0.02 1 408 38 38 LYS HD3 H 1.700 0.02 1 409 38 38 LYS HE2 H 3.000 0.02 1 410 38 38 LYS HE3 H 3.000 0.02 1 411 38 38 LYS C C 175.481 0.1 1 412 38 38 LYS CA C 55.801 0.1 1 413 38 38 LYS CB C 34.112 0.1 1 414 38 38 LYS CG C 24.566 0.1 1 415 38 38 LYS CD C 28.760 0.1 1 416 38 38 LYS CE C 41.880 0.1 1 417 38 38 LYS N N 120.283 0.1 1 418 39 39 VAL H H 8.230 0.02 1 419 39 39 VAL HA H 4.747 0.02 1 420 39 39 VAL HB H 1.940 0.02 1 421 39 39 VAL HG1 H 0.942 0.02 1 422 39 39 VAL HG2 H 0.942 0.02 1 423 39 39 VAL C C 174.907 0.1 1 424 39 39 VAL CA C 61.768 0.1 1 425 39 39 VAL CB C 33.720 0.1 1 426 39 39 VAL CG1 C 21.330 0.1 1 427 39 39 VAL CG2 C 21.330 0.1 1 428 39 39 VAL N N 123.883 0.1 1 429 40 40 SER H H 8.767 0.02 1 430 40 40 SER HA H 5.186 0.02 1 431 40 40 SER HB2 H 3.755 0.02 2 432 40 40 SER HB3 H 3.485 0.02 2 433 40 40 SER C C 171.768 0.1 1 434 40 40 SER CA C 57.029 0.1 1 435 40 40 SER CB C 65.792 0.1 1 436 40 40 SER N N 121.339 0.1 1 437 41 41 GLY H H 9.117 0.02 1 438 41 41 GLY HA2 H 5.045 0.02 2 439 41 41 GLY HA3 H 3.244 0.02 2 440 41 41 GLY C C 170.946 0.1 1 441 41 41 GLY CA C 43.548 0.1 1 442 41 41 GLY N N 108.124 0.1 1 443 42 42 PHE H H 8.775 0.02 1 444 42 42 PHE HA H 5.838 0.02 1 445 42 42 PHE HB2 H 2.720 0.02 1 446 42 42 PHE HB3 H 2.720 0.02 1 447 42 42 PHE HD1 H 6.960 0.02 1 448 42 42 PHE HD2 H 6.960 0.02 1 449 42 42 PHE HE1 H 7.213 0.02 1 450 42 42 PHE HE2 H 7.213 0.02 1 451 42 42 PHE HZ H 7.160 0.02 1 452 42 42 PHE C C 175.504 0.1 1 453 42 42 PHE CA C 55.969 0.1 1 454 42 42 PHE CB C 40.758 0.1 1 455 42 42 PHE N N 119.271 0.1 1 456 43 43 ILE H H 9.380 0.02 1 457 43 43 ILE HA H 5.342 0.02 1 458 43 43 ILE HB H 1.883 0.02 1 459 43 43 ILE HG12 H 1.293 0.02 1 460 43 43 ILE HG13 H 1.293 0.02 1 461 43 43 ILE HG2 H 0.926 0.02 1 462 43 43 ILE HD1 H 0.714 0.02 1 463 43 43 ILE C C 174.803 0.1 1 464 43 43 ILE CA C 56.981 0.1 1 465 43 43 ILE CB C 40.674 0.1 1 466 43 43 ILE CG1 C 27.640 0.1 1 467 43 43 ILE CG2 C 18.163 0.1 1 468 43 43 ILE CD1 C 18.467 0.1 1 469 43 43 ILE N N 124.738 0.1 1 470 44 44 GLU H H 9.663 0.02 1 471 44 44 GLU HA H 5.427 0.02 1 472 44 44 GLU HB2 H 1.869 0.02 2 473 44 44 GLU HB3 H 2.053 0.02 2 474 44 44 GLU HG2 H 1.922 0.02 1 475 44 44 GLU HG3 H 1.922 0.02 1 476 44 44 GLU C C 175.645 0.1 1 477 44 44 GLU CA C 54.704 0.1 1 478 44 44 GLU CB C 32.762 0.1 1 479 44 44 GLU CG C 34.085 0.1 1 480 44 44 GLU N N 128.848 0.1 1 481 45 45 ALA H H 9.145 0.02 1 482 45 45 ALA HA H 4.605 0.02 1 483 45 45 ALA HB H 0.754 0.02 1 484 45 45 ALA C C 176.145 0.1 1 485 45 45 ALA CA C 52.332 0.1 1 486 45 45 ALA CB C 20.851 0.1 1 487 45 45 ALA N N 128.834 0.1 1 488 46 46 GLU H H 9.401 0.02 1 489 46 46 GLU HA H 3.825 0.02 1 490 46 46 GLU HB2 H 2.337 0.02 2 491 46 46 GLU HB3 H 1.898 0.02 2 492 46 46 GLU HG2 H 2.192 0.02 1 493 46 46 GLU HG3 H 2.192 0.02 1 494 46 46 GLU C C 176.034 0.1 1 495 46 46 GLU CA C 56.949 0.1 1 496 46 46 GLU CB C 28.085 0.1 1 497 46 46 GLU CG C 37.092 0.1 1 498 46 46 GLU N N 123.710 0.1 1 499 47 47 GLY H H 8.791 0.02 1 500 47 47 GLY HA2 H 3.542 0.02 2 501 47 47 GLY HA3 H 4.052 0.02 2 502 47 47 GLY C C 173.469 0.1 1 503 47 47 GLY CA C 45.583 0.1 1 504 47 47 GLY N N 103.847 0.1 1 505 48 48 TYR H H 7.864 0.02 1 506 48 48 TYR HA H 4.577 0.02 1 507 48 48 TYR HB2 H 2.805 0.02 1 508 48 48 TYR HB3 H 2.805 0.02 1 509 48 48 TYR HD1 H 6.894 0.02 1 510 48 48 TYR HD2 H 6.894 0.02 1 511 48 48 TYR HE1 H 7.612 0.02 1 512 48 48 TYR HE2 H 7.612 0.02 1 513 48 48 TYR C C 173.000 0.1 1 514 48 48 TYR CA C 57.076 0.1 1 515 48 48 TYR CB C 41.463 0.1 1 516 48 48 TYR N N 122.026 0.1 1 517 49 49 VAL H H 7.551 0.02 1 518 49 49 VAL HA H 4.733 0.02 1 519 49 49 VAL HB H 1.657 0.02 1 520 49 49 VAL HG1 H 0.734 0.02 1 521 49 49 VAL HG2 H 0.734 0.02 1 522 49 49 VAL C C 175.076 0.1 1 523 49 49 VAL CA C 61.977 0.1 1 524 49 49 VAL CB C 32.162 0.1 1 525 49 49 VAL CG1 C 21.730 0.1 1 526 49 49 VAL CG2 C 21.730 0.1 1 527 49 49 VAL N N 121.890 0.1 1 528 50 50 TYR H H 9.844 0.02 1 529 50 50 TYR HA H 4.733 0.02 1 530 50 50 TYR HB2 H 3.230 0.02 2 531 50 50 TYR HB3 H 2.847 0.02 2 532 50 50 TYR HD1 H 7.360 0.02 1 533 50 50 TYR HD2 H 7.360 0.02 1 534 50 50 TYR HE1 H 6.897 0.02 1 535 50 50 TYR HE2 H 6.897 0.02 1 536 50 50 TYR C C 175.508 0.1 1 537 50 50 TYR CA C 57.551 0.1 1 538 50 50 TYR CB C 41.969 0.1 1 539 50 50 TYR N N 128.812 0.1 1 540 51 51 THR H H 8.745 0.02 1 541 51 51 THR HA H 5.229 0.02 1 542 51 51 THR HB H 4.050 0.02 1 543 51 51 THR HG2 H 1.098 0.02 1 544 51 51 THR C C 174.880 0.1 1 545 51 51 THR CA C 62.004 0.1 1 546 51 51 THR CB C 69.822 0.1 1 547 51 51 THR CG2 C 21.650 0.1 1 548 51 51 THR N N 117.177 0.1 1 549 52 52 VAL H H 9.142 0.02 1 550 52 52 VAL HA H 4.750 0.02 1 551 52 52 VAL HB H 2.053 0.02 1 552 52 52 VAL HG1 H 0.800 0.02 2 553 52 52 VAL HG2 H 0.580 0.02 2 554 52 52 VAL C C 173.821 0.1 1 555 52 52 VAL CA C 59.127 0.1 1 556 52 52 VAL CB C 36.387 0.1 1 557 52 52 VAL CG1 C 22.610 0.1 2 558 52 52 VAL CG2 C 18.090 0.1 2 559 52 52 VAL N N 118.814 0.1 1 560 53 53 GLY H H 8.745 0.02 1 561 53 53 GLY HA2 H 3.740 0.02 2 562 53 53 GLY HA3 H 4.648 0.02 2 563 53 53 GLY C C 173.252 0.1 1 564 53 53 GLY CA C 43.268 0.1 1 565 53 53 GLY N N 107.696 0.1 1 566 54 54 VAL H H 8.633 0.02 1 567 54 54 VAL HA H 3.287 0.02 1 568 54 54 VAL HB H 1.883 0.02 1 569 54 54 VAL HG1 H 0.917 0.02 1 570 54 54 VAL HG2 H 0.917 0.02 1 571 54 54 VAL C C 178.010 0.1 1 572 54 54 VAL CA C 65.723 0.1 1 573 54 54 VAL CB C 31.222 0.1 1 574 54 54 VAL CG1 C 21.620 0.1 1 575 54 54 VAL CG2 C 21.620 0.1 1 576 54 54 VAL N N 119.300 0.1 1 577 55 55 GLY H H 8.658 0.02 1 578 55 55 GLY HA2 H 4.520 0.02 2 579 55 55 GLY HA3 H 3.372 0.02 2 580 55 55 GLY C C 175.259 0.1 1 581 55 55 GLY CA C 44.671 0.1 1 582 55 55 GLY N N 115.417 0.1 1 583 56 56 ASN H H 7.749 0.02 1 584 56 56 ASN HA H 5.130 0.02 1 585 56 56 ASN HB2 H 3.409 0.02 2 586 56 56 ASN HB3 H 2.900 0.02 2 587 56 56 ASN HD21 H 7.206 0.02 1 588 56 56 ASN HD22 H 8.460 0.02 1 589 56 56 ASN C C 172.790 0.1 1 590 56 56 ASN CA C 55.828 0.1 1 591 56 56 ASN CB C 40.758 0.1 1 592 56 56 ASN N N 117.460 0.1 1 593 56 56 ASN ND2 N 110.280 0.1 1 594 57 57 TYR H H 8.438 0.02 1 595 57 57 TYR HA H 5.541 0.02 1 596 57 57 TYR HB2 H 2.606 0.02 2 597 57 57 TYR HB3 H 2.635 0.02 2 598 57 57 TYR HD1 H 6.850 0.02 1 599 57 57 TYR HD2 H 6.850 0.02 1 600 57 57 TYR HE1 H 6.722 0.02 1 601 57 57 TYR HE2 H 6.722 0.02 1 602 57 57 TYR C C 175.666 0.1 1 603 57 57 TYR CA C 57.372 0.1 1 604 57 57 TYR CB C 42.363 0.1 1 605 57 57 TYR N N 118.129 0.1 1 606 58 58 LEU H H 9.124 0.02 1 607 58 58 LEU HA H 4.194 0.02 1 608 58 58 LEU HB2 H 1.530 0.02 2 609 58 58 LEU HB3 H 1.390 0.02 2 610 58 58 LEU HG H 1.522 0.02 1 611 58 58 LEU HD1 H 0.749 0.02 2 612 58 58 LEU HD2 H 0.864 0.02 2 613 58 58 LEU C C 176.779 0.1 1 614 58 58 LEU CA C 54.285 0.1 1 615 58 58 LEU CB C 46.288 0.1 1 616 58 58 LEU CG C 26.920 0.1 1 617 58 58 LEU CD1 C 24.800 0.1 2 618 58 58 LEU CD2 C 26.800 0.1 2 619 58 58 LEU N N 117.158 0.1 1 620 59 59 GLY H H 7.778 0.02 1 621 59 59 GLY HA2 H 4.874 0.02 2 622 59 59 GLY HA3 H 4.081 0.02 2 623 59 59 GLY C C 173.824 0.1 1 624 59 59 GLY CA C 44.283 0.1 1 625 59 59 GLY N N 107.488 0.1 1 626 60 60 GLN H H 8.453 0.02 1 627 60 60 GLN HA H 4.279 0.02 1 628 60 60 GLN HB2 H 2.309 0.02 2 629 60 60 GLN HB3 H 1.812 0.02 2 630 60 60 GLN HG2 H 2.417 0.02 1 631 60 60 GLN HG3 H 2.417 0.02 1 632 60 60 GLN C C 175.802 0.1 1 633 60 60 GLN CA C 56.600 0.1 1 634 60 60 GLN CB C 29.462 0.1 1 635 60 60 GLN CG C 34.300 0.1 1 636 60 60 GLN N N 113.204 0.1 1 637 61 61 ASN H H 9.376 0.02 1 638 61 61 ASN HA H 5.243 0.02 1 639 61 61 ASN HB2 H 3.074 0.02 2 640 61 61 ASN HB3 H 2.360 0.02 2 641 61 61 ASN HD21 H 7.029 0.02 1 642 61 61 ASN HD22 H 8.410 0.02 1 643 61 61 ASN C C 172.824 0.1 1 644 61 61 ASN CA C 53.138 0.1 1 645 61 61 ASN CB C 39.638 0.1 1 646 61 61 ASN N N 121.084 0.1 1 647 61 61 ASN ND2 N 116.808 0.1 1 648 62 62 TYR H H 8.406 0.02 1 649 62 62 TYR HA H 3.726 0.02 1 650 62 62 TYR HB2 H 3.382 0.02 2 651 62 62 TYR HB3 H 3.240 0.02 2 652 62 62 TYR HD1 H 7.043 0.02 1 653 62 62 TYR HD2 H 7.043 0.02 1 654 62 62 TYR HE1 H 6.824 0.02 1 655 62 62 TYR HE2 H 6.824 0.02 1 656 62 62 TYR C C 175.449 0.1 1 657 62 62 TYR CA C 59.056 0.1 1 658 62 62 TYR CB C 35.100 0.1 1 659 62 62 TYR N N 112.807 0.1 1 660 63 63 GLY H H 7.805 0.02 1 661 63 63 GLY HA2 H 4.137 0.02 2 662 63 63 GLY HA3 H 3.540 0.02 2 663 63 63 GLY C C 171.353 0.1 1 664 63 63 GLY CA C 47.969 0.1 1 665 63 63 GLY N N 102.643 0.1 1 666 64 64 ARG H H 8.270 0.02 1 667 64 64 ARG HA H 4.038 0.02 1 668 64 64 ARG HB2 H 1.699 0.02 2 669 64 64 ARG HB3 H 1.373 0.02 2 670 64 64 ARG HG2 H 1.710 0.02 1 671 64 64 ARG HG3 H 1.710 0.02 1 672 64 64 ARG HD2 H 3.027 0.02 1 673 64 64 ARG HD3 H 3.027 0.02 1 674 64 64 ARG C C 177.487 0.1 1 675 64 64 ARG CA C 55.036 0.1 1 676 64 64 ARG CB C 32.258 0.1 1 677 64 64 ARG CG C 28.730 0.1 1 678 64 64 ARG CD C 41.746 0.1 1 679 64 64 ARG N N 128.877 0.1 1 680 65 65 ILE H H 8.967 0.02 1 681 65 65 ILE HA H 3.750 0.02 1 682 65 65 ILE HB H 1.841 0.02 1 683 65 65 ILE HG12 H 1.510 0.02 2 684 65 65 ILE HG13 H 1.188 0.02 2 685 65 65 ILE HG2 H 0.688 0.02 1 686 65 65 ILE HD1 H 0.650 0.02 1 687 65 65 ILE C C 176.282 0.1 1 688 65 65 ILE CA C 64.193 0.1 1 689 65 65 ILE CB C 37.955 0.1 1 690 65 65 ILE CG1 C 27.032 0.1 1 691 65 65 ILE CG2 C 18.340 0.1 1 692 65 65 ILE N N 127.050 0.1 1 693 66 66 GLU H H 9.529 0.02 1 694 66 66 GLU HA H 4.435 0.02 1 695 66 66 GLU HB2 H 1.898 0.02 2 696 66 66 GLU HB3 H 1.841 0.02 2 697 66 66 GLU HG2 H 2.190 0.02 1 698 66 66 GLU HG3 H 2.190 0.02 1 699 66 66 GLU C C 175.895 0.1 1 700 66 66 GLU CA C 56.839 0.1 1 701 66 66 GLU CB C 32.258 0.1 1 702 66 66 GLU CG C 36.570 0.1 1 703 66 66 GLU N N 130.918 0.1 1 704 67 67 SER H H 7.621 0.02 1 705 67 67 SER HA H 4.520 0.02 1 706 67 67 SER HB2 H 3.698 0.02 1 707 67 67 SER HB3 H 3.698 0.02 1 708 67 67 SER C C 171.760 0.1 1 709 67 67 SER CA C 57.653 0.1 1 710 67 67 SER CB C 65.064 0.1 1 711 67 67 SER N N 111.064 0.1 1 712 68 68 ILE H H 8.234 0.02 1 713 68 68 ILE HA H 4.279 0.02 1 714 68 68 ILE HB H 1.486 0.02 1 715 68 68 ILE HG12 H 0.684 0.02 1 716 68 68 ILE HG13 H 0.684 0.02 1 717 68 68 ILE HG2 H 0.684 0.02 1 718 68 68 ILE HD1 H 0.682 0.02 1 719 68 68 ILE C C 174.257 0.1 1 720 68 68 ILE CA C 62.200 0.1 1 721 68 68 ILE CB C 40.413 0.1 1 722 68 68 ILE CG1 C 26.900 0.1 1 723 68 68 ILE CG2 C 16.460 0.1 1 724 68 68 ILE CD1 C 14.500 0.1 1 725 68 68 ILE N N 123.724 0.1 1 726 69 69 THR H H 8.796 0.02 1 727 69 69 THR HA H 4.775 0.02 1 728 69 69 THR HB H 4.775 0.02 1 729 69 69 THR HG2 H 1.225 0.02 1 730 69 69 THR C C 174.663 0.1 1 731 69 69 THR CA C 59.477 0.1 1 732 69 69 THR CB C 73.115 0.1 1 733 69 69 THR CG2 C 21.618 0.1 1 734 69 69 THR N N 116.573 0.1 1 735 70 70 ASP H H 8.598 0.02 1 736 70 70 ASP HA H 4.237 0.02 1 737 70 70 ASP HB2 H 2.663 0.02 2 738 70 70 ASP HB3 H 2.521 0.02 2 739 70 70 ASP C C 175.480 0.1 1 740 70 70 ASP CA C 57.430 0.1 1 741 70 70 ASP CB C 40.899 0.1 1 742 70 70 ASP N N 118.703 0.1 1 743 71 71 ASP H H 7.825 0.02 1 744 71 71 ASP HA H 4.832 0.02 1 745 71 71 ASP HB2 H 2.691 0.02 2 746 71 71 ASP HB3 H 2.535 0.02 2 747 71 71 ASP C C 177.403 0.1 1 748 71 71 ASP CA C 55.548 0.1 1 749 71 71 ASP CB C 43.073 0.1 1 750 71 71 ASP N N 111.050 0.1 1 751 72 72 SER H H 7.840 0.02 1 752 72 72 SER HA H 5.328 0.02 1 753 72 72 SER HB2 H 3.896 0.02 2 754 72 72 SER HB3 H 3.627 0.02 2 755 72 72 SER C C 172.194 0.1 1 756 72 72 SER CA C 58.144 0.1 1 757 72 72 SER CB C 66.092 0.1 1 758 72 72 SER N N 113.747 0.1 1 759 73 73 ILE H H 8.457 0.02 1 760 73 73 ILE HA H 4.492 0.02 1 761 73 73 ILE HB H 1.203 0.02 1 762 73 73 ILE HG12 H 0.644 0.02 1 763 73 73 ILE HG13 H 0.644 0.02 1 764 73 73 ILE HG2 H 0.671 0.02 1 765 73 73 ILE HD1 H 0.277 0.02 1 766 73 73 ILE C C 174.826 0.1 1 767 73 73 ILE CA C 60.777 0.1 1 768 73 73 ILE CB C 40.713 0.1 1 769 73 73 ILE CG1 C 25.960 0.1 1 770 73 73 ILE CG2 C 18.055 0.1 1 771 73 73 ILE CD1 C 14.910 0.1 1 772 73 73 ILE N N 119.713 0.1 1 773 74 74 VAL H H 8.245 0.02 1 774 74 74 VAL HA H 4.605 0.02 1 775 74 74 VAL HB H 1.940 0.02 1 776 74 74 VAL HG1 H 0.918 0.02 2 777 74 74 VAL HG2 H 0.877 0.02 2 778 74 74 VAL C C 175.008 0.1 1 779 74 74 VAL CA C 61.916 0.1 1 780 74 74 VAL CB C 33.212 0.1 1 781 74 74 VAL CG1 C 21.920 0.1 2 782 74 74 VAL CG2 C 22.050 0.1 2 783 74 74 VAL N N 126.336 0.1 1 784 75 75 LEU H H 9.256 0.02 1 785 75 75 LEU HA H 5.186 0.02 1 786 75 75 LEU HB2 H 1.383 0.02 2 787 75 75 LEU HB3 H 1.189 0.02 2 788 75 75 LEU HG H 1.512 0.02 1 789 75 75 LEU HD1 H 0.776 0.02 2 790 75 75 LEU HD2 H 0.681 0.02 2 791 75 75 LEU C C 174.598 0.1 1 792 75 75 LEU CA C 53.423 0.1 1 793 75 75 LEU CB C 45.747 0.1 1 794 75 75 LEU CG C 27.067 0.1 1 795 75 75 LEU CD1 C 27.630 0.1 2 796 75 75 LEU CD2 C 26.720 0.1 2 797 75 75 LEU N N 126.022 0.1 1 798 76 76 ASN H H 8.312 0.02 1 799 76 76 ASN HA H 5.349 0.02 1 800 76 76 ASN HB2 H 2.791 0.02 2 801 76 76 ASN HB3 H 2.623 0.02 2 802 76 76 ASN C C 174.602 0.1 1 803 76 76 ASN CA C 52.881 0.1 1 804 76 76 ASN CB C 41.237 0.1 1 805 76 76 ASN N N 119.342 0.1 1 806 77 77 GLU H H 9.282 0.02 1 807 77 77 GLU HA H 4.580 0.02 1 808 77 77 GLU HB2 H 1.926 0.02 2 809 77 77 GLU HB3 H 2.096 0.02 2 810 77 77 GLU HG2 H 2.190 0.02 1 811 77 77 GLU HG3 H 2.190 0.02 1 812 77 77 GLU C C 175.053 0.1 1 813 77 77 GLU CA C 55.653 0.1 1 814 77 77 GLU CB C 32.968 0.1 1 815 77 77 GLU CG C 35.460 0.1 1 816 77 77 GLU N N 123.781 0.1 1 817 78 78 LEU H H 8.369 0.02 1 818 78 78 LEU HA H 5.356 0.02 1 819 78 78 LEU HB2 H 1.600 0.02 1 820 78 78 LEU HB3 H 1.600 0.02 1 821 78 78 LEU HG H 1.746 0.02 1 822 78 78 LEU HD1 H 0.681 0.02 2 823 78 78 LEU HD2 H 0.744 0.02 2 824 78 78 LEU C C 175.349 0.1 1 825 78 78 LEU CA C 54.324 0.1 1 826 78 78 LEU CB C 46.048 0.1 1 827 78 78 LEU CG C 26.900 0.1 1 828 78 78 LEU CD1 C 25.345 0.1 2 829 78 78 LEU CD2 C 24.025 0.1 2 830 78 78 LEU N N 120.864 0.1 1 831 79 79 ILE H H 9.062 0.02 1 832 79 79 ILE HA H 4.690 0.02 1 833 79 79 ILE HB H 1.827 0.02 1 834 79 79 ILE HG12 H 1.358 0.02 2 835 79 79 ILE HG13 H 1.098 0.02 2 836 79 79 ILE HG2 H 0.833 0.02 1 837 79 79 ILE HD1 H 0.757 0.02 1 838 79 79 ILE C C 173.849 0.1 1 839 79 79 ILE CA C 58.706 0.1 1 840 79 79 ILE CB C 41.658 0.1 1 841 79 79 ILE CG1 C 26.600 0.1 1 842 79 79 ILE CG2 C 17.360 0.1 1 843 79 79 ILE CD1 C 12.929 0.1 1 844 79 79 ILE N N 119.300 0.1 1 845 80 80 GLU H H 8.212 0.02 1 846 80 80 GLU HA H 3.850 0.02 1 847 80 80 GLU HB2 H 0.340 0.02 2 848 80 80 GLU HB3 H 1.320 0.02 2 849 80 80 GLU HG2 H 0.702 0.02 2 850 80 80 GLU HG3 H 1.335 0.02 2 851 80 80 GLU C C 176.827 0.1 1 852 80 80 GLU CA C 55.178 0.1 1 853 80 80 GLU CB C 29.860 0.1 1 854 80 80 GLU CG C 35.560 0.1 1 855 80 80 GLU N N 126.495 0.1 1 856 81 81 ASP H H 8.765 0.02 1 857 81 81 ASP HA H 4.605 0.02 1 858 81 81 ASP HB2 H 3.188 0.02 2 859 81 81 ASP HB3 H 2.578 0.02 2 860 81 81 ASP C C 178.010 0.1 1 861 81 81 ASP CA C 52.806 0.1 1 862 81 81 ASP CB C 41.580 0.1 1 863 81 81 ASP N N 126.907 0.1 1 864 82 82 SER H H 8.244 0.02 1 865 82 82 SER HA H 4.194 0.02 1 866 82 82 SER HB2 H 3.961 0.02 2 867 82 82 SER HB3 H 4.029 0.02 2 868 82 82 SER C C 175.291 0.1 1 869 82 82 SER CA C 60.822 0.1 1 870 82 82 SER CB C 63.175 0.1 1 871 82 82 SER N N 112.657 0.1 1 872 83 83 THR H H 8.325 0.02 1 873 83 83 THR HA H 4.430 0.02 1 874 83 83 THR HB H 4.374 0.02 1 875 83 83 THR HG2 H 1.163 0.02 1 876 83 83 THR C C 175.228 0.1 1 877 83 83 THR CA C 61.860 0.1 1 878 83 83 THR CB C 69.704 0.1 1 879 83 83 THR CG2 C 21.650 0.1 1 880 83 83 THR N N 112.831 0.1 1 881 84 84 GLY H H 8.222 0.02 1 882 84 84 GLY HA2 H 4.194 0.02 2 883 84 84 GLY HA3 H 3.698 0.02 2 884 84 84 GLY C C 173.690 0.1 1 885 84 84 GLY CA C 45.324 0.1 1 886 84 84 GLY N N 110.611 0.1 1 887 85 85 ASN H H 7.965 0.02 1 888 85 85 ASN HA H 4.899 0.02 1 889 85 85 ASN HB2 H 2.665 0.02 1 890 85 85 ASN HB3 H 2.665 0.02 1 891 85 85 ASN HD21 H 7.850 0.02 1 892 85 85 ASN HD22 H 6.794 0.02 1 893 85 85 ASN C C 173.523 0.1 1 894 85 85 ASN CA C 52.460 0.1 1 895 85 85 ASN CB C 40.115 0.1 1 896 85 85 ASN N N 119.471 0.1 1 897 85 85 ASN ND2 N 115.571 0.1 1 898 86 86 TRP H H 8.598 0.02 1 899 86 86 TRP HA H 5.011 0.02 1 900 86 86 TRP HB2 H 2.833 0.02 2 901 86 86 TRP HB3 H 2.960 0.02 2 902 86 86 TRP HD1 H 7.260 0.02 1 903 86 86 TRP HE1 H 10.042 0.02 1 904 86 86 TRP HE3 H 7.470 0.02 1 905 86 86 TRP HZ2 H 7.360 0.02 1 906 86 86 TRP HZ3 H 7.200 0.02 1 907 86 86 TRP HH2 H 7.220 0.02 1 908 86 86 TRP C C 176.395 0.1 1 909 86 86 TRP CA C 57.219 0.1 1 910 86 86 TRP CB C 29.669 0.1 1 911 86 86 TRP N N 122.554 0.1 1 912 86 86 TRP NE1 N 129.105 0.1 1 913 87 87 VAL H H 9.557 0.02 1 914 87 87 VAL HA H 4.610 0.02 1 915 87 87 VAL HB H 2.164 0.02 1 916 87 87 VAL HG1 H 0.955 0.02 2 917 87 87 VAL HG2 H 0.901 0.02 2 918 87 87 VAL C C 174.439 0.1 1 919 87 87 VAL CA C 59.970 0.1 1 920 87 87 VAL CB C 35.236 0.1 1 921 87 87 VAL CG1 C 21.500 0.1 2 922 87 87 VAL CG2 C 21.200 0.1 2 923 87 87 VAL N N 121.555 0.1 1 924 88 88 SER H H 8.319 0.02 1 925 88 88 SER HA H 5.596 0.02 1 926 88 88 SER HB2 H 3.872 0.02 1 927 88 88 SER HB3 H 3.872 0.02 1 928 88 88 SER C C 174.988 0.1 1 929 88 88 SER CA C 57.302 0.1 1 930 88 88 SER CB C 64.806 0.1 1 931 88 88 SER N N 117.423 0.1 1 932 89 89 ARG H H 8.860 0.02 1 933 89 89 ARG HA H 4.698 0.02 1 934 89 89 ARG HB2 H 1.665 0.02 2 935 89 89 ARG HB3 H 1.836 0.02 2 936 89 89 ARG HG2 H 1.630 0.02 2 937 89 89 ARG HG3 H 1.545 0.02 2 938 89 89 ARG HD2 H 3.170 0.02 1 939 89 89 ARG HD3 H 3.170 0.02 1 940 89 89 ARG C C 173.893 0.1 1 941 89 89 ARG CA C 55.178 0.1 1 942 89 89 ARG CB C 34.071 0.1 1 943 89 89 ARG CG C 27.110 0.1 1 944 89 89 ARG CD C 43.080 0.1 1 945 89 89 ARG N N 124.110 0.1 1 946 90 90 LYS H H 8.619 0.02 1 947 90 90 LYS HA H 5.012 0.02 1 948 90 90 LYS HB2 H 1.822 0.02 2 949 90 90 LYS HB3 H 1.756 0.02 2 950 90 90 LYS HG2 H 1.390 0.02 2 951 90 90 LYS HG3 H 1.535 0.02 2 952 90 90 LYS HD2 H 1.660 0.02 1 953 90 90 LYS HD3 H 1.660 0.02 1 954 90 90 LYS HE2 H 2.906 0.02 1 955 90 90 LYS HE3 H 2.906 0.02 1 956 90 90 LYS C C 175.939 0.1 1 957 90 90 LYS CA C 55.971 0.1 1 958 90 90 LYS CB C 33.382 0.1 1 959 90 90 LYS CG C 25.090 0.1 1 960 90 90 LYS CD C 29.150 0.1 1 961 90 90 LYS CE C 41.700 0.1 1 962 90 90 LYS N N 126.137 0.1 1 963 91 91 ALA H H 8.845 0.02 1 964 91 91 ALA HA H 4.713 0.02 1 965 91 91 ALA HB H 1.243 0.02 1 966 91 91 ALA C C 174.849 0.1 1 967 91 91 ALA CA C 50.956 0.1 1 968 91 91 ALA CB C 22.547 0.1 1 969 91 91 ALA N N 127.378 0.1 1 970 92 92 GLU H H 8.376 0.02 1 971 92 92 GLU HA H 5.441 0.02 1 972 92 92 GLU HB2 H 1.770 0.02 2 973 92 92 GLU HB3 H 1.930 0.02 2 974 92 92 GLU HG2 H 2.065 0.02 1 975 92 92 GLU HG3 H 2.065 0.02 1 976 92 92 GLU C C 175.205 0.1 1 977 92 92 GLU CA C 54.776 0.1 1 978 92 92 GLU CB C 33.942 0.1 1 979 92 92 GLU CG C 36.700 0.1 1 980 92 92 GLU N N 118.564 0.1 1 981 93 93 LEU H H 8.915 0.02 1 982 93 93 LEU HA H 4.772 0.02 1 983 93 93 LEU HB2 H 1.401 0.02 2 984 93 93 LEU HB3 H 1.707 0.02 2 985 93 93 LEU HG H 1.540 0.02 1 986 93 93 LEU HD1 H 0.772 0.02 2 987 93 93 LEU HD2 H 0.860 0.02 2 988 93 93 LEU C C 175.645 0.1 1 989 93 93 LEU CA C 53.708 0.1 1 990 93 93 LEU CB C 43.975 0.1 1 991 93 93 LEU CG C 27.110 0.1 1 992 93 93 LEU CD1 C 26.320 0.1 2 993 93 93 LEU CD2 C 24.670 0.1 2 994 93 93 LEU N N 124.837 0.1 1 995 94 94 LEU H H 8.785 0.02 1 996 94 94 LEU HA H 4.571 0.02 1 997 94 94 LEU HB2 H 1.742 0.02 2 998 94 94 LEU HB3 H 1.628 0.02 2 999 94 94 LEU HG H 1.640 0.02 1 1000 94 94 LEU HD1 H 0.942 0.02 2 1001 94 94 LEU HD2 H 0.880 0.02 2 1002 94 94 LEU C C 177.669 0.1 1 1003 94 94 LEU CA C 54.704 0.1 1 1004 94 94 LEU CB C 42.357 0.1 1 1005 94 94 LEU CG C 27.167 0.1 1 1006 94 94 LEU CD1 C 23.470 0.1 2 1007 94 94 LEU CD2 C 23.460 0.1 2 1008 94 94 LEU N N 123.724 0.1 1 1009 95 95 LEU H H 7.782 0.02 1 1010 95 95 LEU HA H 3.896 0.02 1 1011 95 95 LEU HB2 H 1.200 0.02 1 1012 95 95 LEU HB3 H 1.200 0.02 1 1013 95 95 LEU HG H 1.191 0.02 1 1014 95 95 LEU HD1 H 0.107 0.02 2 1015 95 95 LEU HD2 H 0.864 0.02 2 1016 95 95 LEU C C 176.896 0.1 1 1017 95 95 LEU CA C 56.602 0.1 1 1018 95 95 LEU CB C 41.451 0.1 1 1019 95 95 LEU CG C 26.850 0.1 1 1020 95 95 LEU CD1 C 22.163 0.1 2 1021 95 95 LEU CD2 C 25.057 0.1 2 1022 95 95 LEU N N 123.539 0.1 1 1023 96 96 ASN H H 8.954 0.02 1 1024 96 96 ASN HA H 4.804 0.02 1 1025 96 96 ASN HB2 H 2.777 0.02 1 1026 96 96 ASN HB3 H 2.777 0.02 1 1027 96 96 ASN HD21 H 6.975 0.02 1 1028 96 96 ASN HD22 H 7.530 0.02 1 1029 96 96 ASN C C 174.264 0.1 1 1030 96 96 ASN CA C 53.150 0.1 1 1031 96 96 ASN CB C 39.712 0.1 1 1032 96 96 ASN N N 125.921 0.1 1 1033 96 96 ASN ND2 N 112.440 0.1 1 1034 97 97 SER H H 8.282 0.02 1 1035 97 97 SER HA H 4.463 0.02 1 1036 97 97 SER HB2 H 3.896 0.02 2 1037 97 97 SER HB3 H 3.769 0.02 2 1038 97 97 SER C C 174.839 0.1 1 1039 97 97 SER CA C 58.160 0.1 1 1040 97 97 SER CB C 63.964 0.1 1 1041 97 97 SER N N 116.588 0.1 1 1042 98 98 SER H H 8.388 0.02 1 1043 98 98 SER HA H 4.471 0.02 1 1044 98 98 SER HB2 H 3.872 0.02 2 1045 98 98 SER HB3 H 3.863 0.02 2 1046 98 98 SER C C 174.332 0.1 1 1047 98 98 SER CA C 58.646 0.1 1 1048 98 98 SER CB C 63.964 0.1 1 1049 98 98 SER N N 118.028 0.1 1 1050 99 99 ASP H H 8.415 0.02 1 1051 99 99 ASP HA H 4.591 0.02 1 1052 99 99 ASP HB2 H 2.680 0.02 1 1053 99 99 ASP HB3 H 2.680 0.02 1 1054 99 99 ASP C C 176.139 0.1 1 1055 99 99 ASP CA C 54.552 0.1 1 1056 99 99 ASP CB C 41.163 0.1 1 1057 99 99 ASP N N 122.520 0.1 1 1058 100 100 LYS H H 8.175 0.02 1 1059 100 100 LYS HA H 4.312 0.02 1 1060 100 100 LYS HB2 H 1.765 0.02 1 1061 100 100 LYS HB3 H 1.765 0.02 1 1062 100 100 LYS HG2 H 1.414 0.02 1 1063 100 100 LYS HG3 H 1.414 0.02 1 1064 100 100 LYS HD2 H 1.693 0.02 1 1065 100 100 LYS HD3 H 1.693 0.02 1 1066 100 100 LYS HE2 H 3.000 0.02 1 1067 100 100 LYS HE3 H 3.000 0.02 1 1068 100 100 LYS C C 176.342 0.1 1 1069 100 100 LYS CA C 56.184 0.1 1 1070 100 100 LYS CB C 33.006 0.1 1 1071 100 100 LYS CG C 24.790 0.1 1 1072 100 100 LYS CD C 28.960 0.1 1 1073 100 100 LYS CE C 41.870 0.1 1 1074 100 100 LYS N N 121.166 0.1 1 1075 101 101 ASN H H 8.428 0.02 1 1076 101 101 ASN HA H 4.764 0.02 1 1077 101 101 ASN HB2 H 2.816 0.02 1 1078 101 101 ASN HB3 H 2.816 0.02 1 1079 101 101 ASN C C 176.670 0.1 1 1080 101 101 ASN CA C 53.484 0.1 1 1081 101 101 ASN CB C 39.143 0.1 1 1082 101 101 ASN N N 119.596 0.1 1 1083 102 102 THR H H 8.059 0.02 1 1084 102 102 THR HA H 4.283 0.02 1 1085 102 102 THR HB H 4.284 0.02 1 1086 102 102 THR HG2 H 1.180 0.02 1 1087 102 102 THR C C 174.250 0.1 1 1088 102 102 THR CA C 61.722 0.1 1 1089 102 102 THR CB C 69.826 0.1 1 1090 102 102 THR CG2 C 21.250 0.1 1 1091 102 102 THR N N 114.188 0.1 1 1092 103 103 GLU H H 8.322 0.02 1 1093 103 103 GLU HA H 4.370 0.02 1 1094 103 103 GLU HB2 H 1.994 0.02 1 1095 103 103 GLU HB3 H 1.994 0.02 1 1096 103 103 GLU HG2 H 2.286 0.02 1 1097 103 103 GLU HG3 H 2.286 0.02 1 1098 103 103 GLU C C 176.106 0.1 1 1099 103 103 GLU CA C 56.045 0.1 1 1100 103 103 GLU CB C 30.900 0.1 1 1101 103 103 GLU CG C 36.400 0.1 1 1102 103 103 GLU N N 122.934 0.1 1 1103 104 104 GLN H H 8.476 0.02 1 1104 104 104 GLN HA H 4.520 0.02 1 1105 104 104 GLN HB2 H 2.037 0.02 2 1106 104 104 GLN HB3 H 2.032 0.02 2 1107 104 104 GLN HG2 H 2.550 0.02 1 1108 104 104 GLN HG3 H 2.550 0.02 1 1109 104 104 GLN C C 176.200 0.1 1 1110 104 104 GLN CA C 55.491 0.1 1 1111 104 104 GLN CB C 30.162 0.1 1 1112 104 104 GLN CG C 32.173 0.1 1 1113 104 104 GLN N N 122.411 0.1 1 1114 105 105 ALA H H 8.245 0.02 1 1115 105 105 ALA HA H 4.290 0.02 1 1116 105 105 ALA HB H 1.391 0.02 1 1117 105 105 ALA C C 175.700 0.1 1 1118 105 105 ALA CA C 52.310 0.1 1 1119 105 105 ALA CB C 19.163 0.1 1 1120 105 105 ALA N N 125.530 0.1 1 1121 106 106 ALA H H 8.254 0.02 1 1122 106 106 ALA HA H 4.290 0.02 1 1123 106 106 ALA HB H 1.390 0.02 1 1124 106 106 ALA CA C 52.309 0.1 1 1125 106 106 ALA CB C 19.163 0.1 1 1126 106 106 ALA N N 123.482 0.1 1 1127 107 107 ALA H H 8.163 0.02 1 1128 107 107 ALA HA H 4.287 0.02 1 1129 107 107 ALA HB H 1.378 0.02 1 1130 107 107 ALA CA C 52.309 0.1 1 1131 107 107 ALA CB C 19.163 0.1 1 1132 107 107 ALA N N 123.551 0.1 1 1133 108 108 PRO HA H 4.420 0.02 1 1134 108 108 PRO HB2 H 1.975 0.02 1 1135 108 108 PRO HB3 H 1.975 0.02 1 1136 108 108 PRO C C 175.800 0.1 1 1137 108 108 PRO CA C 62.200 0.1 1 1138 108 108 PRO CB C 32.860 0.1 1 1139 109 109 ALA H H 8.330 0.02 1 1140 109 109 ALA HA H 4.316 0.02 1 1141 109 109 ALA HB H 1.392 0.02 1 1142 109 109 ALA C C 175.120 0.1 1 1143 109 109 ALA CA C 52.314 0.1 1 1144 109 109 ALA CB C 18.938 0.1 1 1145 109 109 ALA N N 124.577 0.1 1 1146 110 110 ALA H H 8.256 0.02 1 1147 110 110 ALA HA H 4.311 0.02 1 1148 110 110 ALA HB H 1.390 0.02 1 1149 110 110 ALA C C 176.259 0.1 1 1150 110 110 ALA CA C 52.351 0.1 1 1151 110 110 ALA CB C 19.535 0.1 1 1152 110 110 ALA N N 123.864 0.1 1 1153 111 111 GLU H H 8.334 0.02 1 1154 111 111 GLU HA H 4.299 0.02 1 1155 111 111 GLU HB2 H 1.965 0.02 1 1156 111 111 GLU HB3 H 1.965 0.02 1 1157 111 111 GLU HG2 H 2.304 0.02 1 1158 111 111 GLU HG3 H 2.304 0.02 1 1159 111 111 GLU CA C 56.730 0.1 1 1160 111 111 GLU CB C 30.312 0.1 1 1161 111 111 GLU CG C 36.210 0.1 1 1162 111 111 GLU N N 119.979 0.1 1 1163 112 112 GLN H H 8.282 0.02 1 1164 112 112 GLN HA H 4.293 0.02 1 1165 112 112 GLN HB2 H 2.020 0.02 1 1166 112 112 GLN HB3 H 2.020 0.02 1 1167 112 112 GLN HG2 H 2.381 0.02 1 1168 112 112 GLN HG3 H 2.381 0.02 1 1169 112 112 GLN CA C 56.390 0.1 1 1170 112 112 GLN CB C 29.700 0.1 1 1171 112 112 GLN CG C 33.799 0.1 1 1172 112 112 GLN N N 121.271 0.1 1 1173 113 113 ASN H H 8.087 0.02 1 1174 113 113 ASN HA H 4.522 0.02 1 1175 113 113 ASN HB2 H 2.722 0.02 1 1176 113 113 ASN HB3 H 2.722 0.02 1 1177 113 113 ASN N N 125.985 0.1 1 stop_ save_