data_6256 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Chemical Shift Assignments of TM1509 ; _BMRB_accession_number 6256 _BMRB_flat_file_name bmr6256.str _Entry_type original _Submission_date 2004-06-29 _Accession_date 2004-06-29 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'NESGC target VT1' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Herve du Penhoat' Catherine L.M. . 2 Atreya Hanudatta S. . 3 Kim Seho . . 4 Yee Adelinda . . 5 Xiao Rong . . 6 Arrowsmith Cheryl . . 7 Szyperski Thomas . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 888 "13C chemical shifts" 624 "15N chemical shifts" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-08-22 original author . stop_ _Original_release_date 2005-08-22 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR solution structure of Thermotoga maritima protein TM1509 reveals a Zn-metalloprotease-like tertiary structure ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'Herve du Penhoat' Catherine L.M. . 2 Li Zhaohui . . 3 Atreya Hanudatta S. . 4 Kim Seho . . 5 Yee Adelinda . . 6 Xiao Rong . . 7 Murray Diana . . 8 Arrowsmith Cheryl H. . 9 Szyperski Thomas . . stop_ _Journal_abbreviation 'J. Struct. Funct. Genomics' _Journal_volume 6 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 51 _Page_last 62 _Year 2005 _Details . save_ ################################## # Molecular system description # ################################## save_system_TM1509 _Saveframe_category molecular_system _Mol_system_name 'TM1509 monomer' _Abbreviation_common TM1509 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label TM1509 $TM1509 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'mainly monomer' _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function unknown stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TM1509 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common TM1509 _Abbreviation_common TM1509 _Molecular_mass 17549.8 _Mol_thiol_state 'all free' _Details ; 23 residue N-terminal His-tag MGTSHHHHHHSSGRENLYFQGHS ; ############################## # Polymer residue sequence # ############################## _Residue_count 150 _Mol_residue_sequence ; MIRILGEGKGSKLLENLKEK LEEIVKKEIGDVHVNVILVS EDEIKELNQQFRGQDRPTDV LTFPLMEEDVYGEIYVCPLI VEENAREFNNTFEKELLEVV IHGILHLAGYDHEFEDKNSK EMFEKQKKYVEEVWGEWRSN PSEDSDPGKR ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ILE 3 ARG 4 ILE 5 LEU 6 GLY 7 GLU 8 GLY 9 LYS 10 GLY 11 SER 12 LYS 13 LEU 14 LEU 15 GLU 16 ASN 17 LEU 18 LYS 19 GLU 20 LYS 21 LEU 22 GLU 23 GLU 24 ILE 25 VAL 26 LYS 27 LYS 28 GLU 29 ILE 30 GLY 31 ASP 32 VAL 33 HIS 34 VAL 35 ASN 36 VAL 37 ILE 38 LEU 39 VAL 40 SER 41 GLU 42 ASP 43 GLU 44 ILE 45 LYS 46 GLU 47 LEU 48 ASN 49 GLN 50 GLN 51 PHE 52 ARG 53 GLY 54 GLN 55 ASP 56 ARG 57 PRO 58 THR 59 ASP 60 VAL 61 LEU 62 THR 63 PHE 64 PRO 65 LEU 66 MET 67 GLU 68 GLU 69 ASP 70 VAL 71 TYR 72 GLY 73 GLU 74 ILE 75 TYR 76 VAL 77 CYS 78 PRO 79 LEU 80 ILE 81 VAL 82 GLU 83 GLU 84 ASN 85 ALA 86 ARG 87 GLU 88 PHE 89 ASN 90 ASN 91 THR 92 PHE 93 GLU 94 LYS 95 GLU 96 LEU 97 LEU 98 GLU 99 VAL 100 VAL 101 ILE 102 HIS 103 GLY 104 ILE 105 LEU 106 HIS 107 LEU 108 ALA 109 GLY 110 TYR 111 ASP 112 HIS 113 GLU 114 PHE 115 GLU 116 ASP 117 LYS 118 ASN 119 SER 120 LYS 121 GLU 122 MET 123 PHE 124 GLU 125 LYS 126 GLN 127 LYS 128 LYS 129 TYR 130 VAL 131 GLU 132 GLU 133 VAL 134 TRP 135 GLY 136 GLU 137 TRP 138 ARG 139 SER 140 ASN 141 PRO 142 SER 143 GLU 144 ASP 145 SER 146 ASP 147 PRO 148 GLY 149 LYS 150 ARG 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 1TVI "Solution Structure Of Tm1509 From Thermotoga Maritima: Vt1, A Nesgc Target Protein" 100.00 172 100.00 100.00 9.97e-102 GB AAD36576 "conserved hypothetical protein [Thermotoga maritima MSB8]" 100.00 150 100.00 100.00 1.04e-101 GB ACB09747 "protein of unknown function UPF0054 [Thermotoga sp. RQ2]" 100.00 150 98.67 99.33 3.96e-100 GB AGL50441 "metal-dependent hydrolase [Thermotoga maritima MSB8]" 100.00 150 100.00 100.00 1.04e-101 GB AHD18596 "rRNA maturation factor [Thermotoga maritima MSB8]" 100.00 150 100.00 100.00 1.04e-101 GB AIY86860 "hypothetical protein T2812B_06635 [Thermotoga sp. 2812B]" 100.00 150 98.67 99.33 1.17e-99 REF NP_229309 "hypothetical protein TM1509 [Thermotoga maritima MSB8]" 100.00 150 100.00 100.00 1.04e-101 REF WP_004081854 "16S rRNA maturation RNase YbeY [Thermotoga maritima]" 100.00 150 100.00 100.00 1.04e-101 REF WP_008194976 "16S rRNA maturation RNase YbeY [Thermotoga sp. EMP]" 100.00 150 98.67 99.33 1.17e-99 REF WP_012311098 "MULTISPECIES: 16S rRNA maturation RNase YbeY [Thermotoga]" 100.00 150 98.67 99.33 3.96e-100 REF YP_001739430 "hypothetical protein TRQ2_1403 [Thermotoga sp. RQ2]" 100.00 150 98.67 99.33 3.96e-100 SP B1LBP9 "RecName: Full=Endoribonuclease YbeY [Thermotoga sp. RQ2]" 100.00 150 98.67 99.33 3.96e-100 SP Q9X1J7 "RecName: Full=Endoribonuclease YbeY [Thermotoga maritima MSB8]" 100.00 150 100.00 100.00 1.04e-101 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TM1509 'Thermotoga maritima' 2336 Eubacteria . Thermotoga maritima 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 $TM1509 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $TM1509 1.0 mM 0.8 1.2 '[U-100% 13C; U-100% 15N]' NaCl 450 mM . . . NaHPO4 25 mM . . . DTT 10 mM . . . NaN3 0.01 % . . . benzamidine 1 mM . . . 'inhibitor cocktail pill' 1 mM . . . stop_ save_ save_Sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $TM1509 1.23 mM 1.0 1.5 '[U-100% 15N; biosynthetically-directed 5% fractionally-labeled 13C]' NaCl 450 mM . . . NaHPO4 25 mM . . . DTT 10 mM . . . NaN3 0.01 % . . . benzamidine 1 mM . . . 'inhibitor cocktail pill' 1 mM . . . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details 'all but 1 experiment.' save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details 'HCCH-TOCSY experiment.' save_ ############################# # NMR applied experiments # ############################# save_gNhsqc_1 _Saveframe_category NMR_applied_experiment _Experiment_name gNhsqc _Sample_label . save_ save_CT-gChsqc_2 _Saveframe_category NMR_applied_experiment _Experiment_name CT-gChsqc _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCAcoNH_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCAcoNH _Sample_label . save_ save_HNcaHA_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNcaHA _Sample_label . save_ save_HCCHCOSY_[13C,1H,1H]_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCHCOSY [13C,1H,1H]' _Sample_label . save_ save_HCCHTOCSY_[13C,13C,1H]_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCHTOCSY [13C,13C,1H]' _Sample_label . save_ save_13C-resolved_aliphatic_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-resolved aliphatic NOESY' _Sample_label . save_ save_13C-resolved_aromatic_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-resolved aromatic NOESY' _Sample_label . save_ save_15N-resolved_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-resolved NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name gNhsqc _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name CT-gChsqc _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name CBCAcoNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HNcaHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCHCOSY [13C,1H,1H]' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name 'HCCHTOCSY [13C,13C,1H]' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-resolved aliphatic NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-resolved aromatic NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-resolved NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_all_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.5 0.2 pH temperature 298 0.5 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_Chemical_shift_ref_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label gNhsqc CT-gChsqc HNCO HNCACB CBCAcoNH HNcaHA 'HCCHCOSY [13C,1H,1H]' 'HCCHTOCSY [13C,13C,1H]' '13C-resolved aliphatic NOESY' '13C-resolved aromatic NOESY' '15N-resolved NOESY' stop_ _Sample_conditions_label $all_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name TM1509 _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 MET N N 121.3 0.15 1 2 . 1 MET H H 9.02 0.01 1 3 . 1 MET CG C 32.9 0.15 1 4 . 1 MET HG2 H 2.50 0.01 2 5 . 1 MET HG3 H 2.61 0.01 2 6 . 1 MET HE H 2.03 0.01 1 7 . 1 MET CE C 18.1 0.15 1 8 . 2 ILE CA C 59.3 0.15 1 9 . 2 ILE HA H 5.36 0.01 1 10 . 2 ILE CB C 40.3 0.15 1 11 . 2 ILE HB H 1.75 0.01 1 12 . 2 ILE HG2 H 0.74 0.01 1 13 . 2 ILE CG2 C 17.7 0.15 1 14 . 2 ILE CG1 C 28.5 0.15 1 15 . 2 ILE HG12 H 1.12 0.01 2 16 . 2 ILE HG13 H 1.52 0.01 2 17 . 2 ILE HD1 H 0.65 0.01 1 18 . 2 ILE CD1 C 13.1 0.15 1 19 . 2 ILE C C 175.0 0.15 1 20 . 3 ARG N N 125.7 0.15 1 21 . 3 ARG H H 8.14 0.01 1 22 . 3 ARG CA C 55.2 0.15 1 23 . 3 ARG HA H 4.59 0.01 1 24 . 3 ARG CB C 32.7 0.15 1 25 . 3 ARG HB2 H 1.83 0.01 1 26 . 3 ARG HB3 H 1.70 0.01 1 27 . 3 ARG CG C 28.6 0.15 1 28 . 3 ARG HG2 H 1.45 0.01 2 29 . 3 ARG HG3 H 1.57 0.01 2 30 . 3 ARG CD C 44.0 0.15 1 31 . 3 ARG HD2 H 3.05 0.01 1 32 . 3 ARG HD3 H 3.05 0.01 1 33 . 3 ARG C C 173.9 0.15 1 34 . 4 ILE N N 124.9 0.15 1 35 . 4 ILE H H 8.84 0.01 1 36 . 4 ILE CA C 59.2 0.15 1 37 . 4 ILE HA H 4.84 0.01 1 38 . 4 ILE CB C 36.5 0.15 1 39 . 4 ILE HB H 2.12 0.01 1 40 . 4 ILE HG2 H 0.81 0.01 1 41 . 4 ILE CG2 C 17.9 0.15 1 42 . 4 ILE CG1 C 27.2 0.15 1 43 . 4 ILE HG12 H 1.18 0.01 2 44 . 4 ILE HG13 H 1.22 0.01 2 45 . 4 ILE HD1 H 0.62 0.01 1 46 . 4 ILE CD1 C 12.6 0.15 1 47 . 4 ILE C C 175.4 0.15 1 48 . 5 LEU N N 130.7 0.15 1 49 . 5 LEU H H 9.55 0.01 1 50 . 5 LEU CA C 53.7 0.15 1 51 . 5 LEU HA H 4.82 0.01 1 52 . 5 LEU CB C 45.0 0.15 1 53 . 5 LEU HB2 H 1.67 0.01 2 54 . 5 LEU HB3 H 1.63 0.01 2 55 . 5 LEU CG C 28.0 0.15 1 56 . 5 LEU HG H 1.42 0.01 1 57 . 5 LEU HD1 H 0.71 0.01 1 58 . 5 LEU HD2 H 0.82 0.01 1 59 . 5 LEU CD1 C 25.4 0.15 1 60 . 5 LEU CD2 C 24.4 0.15 1 61 . 5 LEU C C 176.0 0.15 1 62 . 6 GLY N N 108.0 0.15 1 63 . 6 GLY H H 8.36 0.01 1 64 . 6 GLY CA C 44.5 0.15 1 65 . 6 GLY HA2 H 3.80 0.01 1 66 . 6 GLY HA3 H 3.80 0.01 1 67 . 6 GLY C C 173.3 0.15 1 68 . 7 GLU N N 118.2 0.15 1 69 . 7 GLU H H 8.13 0.01 1 70 . 7 GLU CA C 55.1 0.15 1 71 . 7 GLU HA H 4.73 0.01 1 72 . 7 GLU CB C 32.6 0.15 1 73 . 7 GLU HB2 H 1.94 0.01 2 74 . 7 GLU HB3 H 2.11 0.01 2 75 . 7 GLU CG C 36.7 0.15 1 76 . 7 GLU HG2 H 2.25 0.01 1 77 . 7 GLU HG3 H 2.25 0.01 1 78 . 7 GLU C C 175.3 0.15 1 79 . 8 GLY N N 108.5 0.15 1 80 . 8 GLY H H 8.38 0.01 1 81 . 8 GLY CA C 44.6 0.15 1 82 . 8 GLY HA2 H 3.98 0.01 2 83 . 8 GLY HA3 H 4.18 0.01 2 84 . 8 GLY C C 172.9 0.15 1 85 . 9 LYS N N 124.0 0.15 1 86 . 9 LYS H H 8.58 0.01 1 87 . 9 LYS CA C 59.3 0.15 1 88 . 9 LYS HA H 4.07 0.01 1 89 . 9 LYS CB C 33.1 0.15 1 90 . 9 LYS HB2 H 1.59 0.01 2 91 . 9 LYS HB3 H 1.68 0.01 2 92 . 9 LYS CG C 25.4 0.15 1 93 . 9 LYS HG2 H 1.16 0.01 2 94 . 9 LYS HG3 H 1.38 0.01 2 95 . 9 LYS CD C 29.8 0.15 1 96 . 9 LYS HD2 H 1.09 0.01 2 97 . 9 LYS HD3 H 1.33 0.01 2 98 . 9 LYS CE C 42.1 0.15 1 99 . 9 LYS HE2 H 2.33 0.01 1 100 . 9 LYS HE3 H 2.33 0.01 1 101 . 9 LYS C C 175.1 0.15 1 102 . 10 GLY N N 111.0 0.15 1 103 . 10 GLY H H 8.43 0.01 1 104 . 10 GLY CA C 45.1 0.15 1 105 . 10 GLY HA2 H 3.75 0.01 1 106 . 10 GLY HA3 H 3.75 0.01 1 107 . 10 GLY C C 175.4 0.15 1 108 . 11 SER N N 116.7 0.15 1 109 . 11 SER H H 8.20 0.01 1 110 . 11 SER CA C 62.4 0.15 1 111 . 11 SER HA H 3.93 0.01 1 112 . 11 SER CB C 62.9 0.15 1 113 . 11 SER HB2 H 3.75 0.01 1 114 . 11 SER HB3 H 3.75 0.01 1 115 . 11 SER C C 176.2 0.15 1 116 . 12 LYS N N 121.7 0.15 1 117 . 12 LYS H H 8.00 0.01 1 118 . 12 LYS CA C 59.3 0.15 1 119 . 12 LYS HA H 4.16 0.01 1 120 . 12 LYS CB C 32.1 0.15 1 121 . 12 LYS HB2 H 1.96 0.01 1 122 . 12 LYS HB3 H 2.04 0.01 1 123 . 12 LYS CG C 25.4 0.15 1 124 . 12 LYS HG2 H 1.55 0.01 2 125 . 12 LYS HG3 H 1.66 0.01 2 126 . 12 LYS CD C 29.4 0.15 1 127 . 12 LYS HD2 H 1.81 0.01 1 128 . 12 LYS HD3 H 1.81 0.01 1 129 . 12 LYS CE C 42.8 0.15 1 130 . 12 LYS HE2 H 3.13 0.01 1 131 . 12 LYS HE3 H 3.13 0.01 1 132 . 12 LYS C C 178.8 0.15 1 133 . 13 LEU N N 122.6 0.15 1 134 . 13 LEU H H 7.51 0.01 1 135 . 13 LEU CA C 58.3 0.15 1 136 . 13 LEU HA H 4.03 0.01 1 137 . 13 LEU CB C 41.9 0.15 1 138 . 13 LEU HB2 H 1.68 0.01 2 139 . 13 LEU HB3 H 1.82 0.01 2 140 . 13 LEU CG C 27.5 0.15 1 141 . 13 LEU HG H 1.21 0.01 1 142 . 13 LEU HD1 H 0.27 0.01 1 143 . 13 LEU HD2 H 0.63 0.01 1 144 . 13 LEU CD1 C 24.2 0.15 1 145 . 13 LEU CD2 C 26.6 0.15 1 146 . 13 LEU C C 178.4 0.15 1 147 . 14 LEU N N 115.3 0.15 1 148 . 14 LEU H H 7.79 0.01 1 149 . 14 LEU CA C 58.3 0.15 1 150 . 14 LEU HA H 3.73 0.01 1 151 . 14 LEU CB C 41.9 0.15 1 152 . 14 LEU HB2 H 1.13 0.01 2 153 . 14 LEU HB3 H 1.90 0.01 2 154 . 14 LEU CG C 27.2 0.15 1 155 . 14 LEU HG H 1.90 0.01 1 156 . 14 LEU HD1 H 0.76 0.01 1 157 . 14 LEU HD2 H 0.63 0.01 1 158 . 14 LEU CD1 C 27.0 0.15 1 159 . 14 LEU CD2 C 22.6 0.15 1 160 . 14 LEU C C 178.4 0.15 1 161 . 15 GLU N N 117.2 0.15 1 162 . 15 GLU H H 8.05 0.01 1 163 . 15 GLU CA C 59.8 0.15 1 164 . 15 GLU HA H 3.99 0.01 1 165 . 15 GLU CB C 30.0 0.15 1 166 . 15 GLU HB2 H 2.11 0.01 2 167 . 15 GLU HB3 H 2.22 0.01 2 168 . 15 GLU CG C 36.2 0.15 1 169 . 15 GLU HG2 H 2.37 0.01 1 170 . 15 GLU HG3 H 2.37 0.01 1 171 . 15 GLU C C 180.0 0.15 1 172 . 16 ASN N N 118.0 0.15 1 173 . 16 ASN H H 8.28 0.01 1 174 . 16 ASN CA C 56.2 0.15 1 175 . 16 ASN HA H 4.63 0.01 1 176 . 16 ASN CB C 39.3 0.15 1 177 . 16 ASN HB2 H 2.94 0.01 2 178 . 16 ASN HB3 H 3.14 0.01 2 179 . 16 ASN ND2 N 111.6 0.15 1 180 . 16 ASN HD21 H 7.55 0.01 1 181 . 16 ASN HD22 H 7.10 0.01 1 182 . 16 ASN C C 177.5 0.15 1 183 . 17 LEU N N 118.5 0.15 1 184 . 17 LEU H H 7.72 0.01 1 185 . 17 LEU CA C 54.2 0.15 1 186 . 17 LEU HA H 4.78 0.01 1 187 . 17 LEU CB C 42.4 0.15 1 188 . 17 LEU HB2 H 1.53 0.01 2 189 . 17 LEU HB3 H 1.67 0.01 2 190 . 17 LEU CG C 27.5 0.15 1 191 . 17 LEU HG H 1.72 0.01 1 192 . 17 LEU HD1 H 0.74 0.01 1 193 . 17 LEU HD2 H 0.93 0.01 1 194 . 17 LEU CD1 C 27.0 0.15 1 195 . 17 LEU CD2 C 23.4 0.15 1 196 . 17 LEU C C 177.6 0.15 1 197 . 18 LYS N N 123.5 0.15 1 198 . 18 LYS H H 7.45 0.01 1 199 . 18 LYS CA C 62.0 0.15 1 200 . 18 LYS HA H 3.68 0.01 1 201 . 18 LYS CB C 33.1 0.15 1 202 . 18 LYS HB2 H 1.96 0.01 2 203 . 18 LYS HB3 H 2.10 0.01 2 204 . 18 LYS CG C 24.9 0.15 1 205 . 18 LYS HG2 H 1.29 0.01 2 206 . 18 LYS HG3 H 1.51 0.01 2 207 . 18 LYS CD C 30.4 0.15 1 208 . 18 LYS HD2 H 1.67 0.01 1 209 . 18 LYS HD3 H 1.67 0.01 1 210 . 18 LYS CE C 42.3 0.15 1 211 . 18 LYS HE2 H 2.98 0.01 1 212 . 18 LYS HE3 H 2.98 0.01 1 213 . 18 LYS C C 177.7 0.15 1 214 . 19 GLU N N 118.1 0.15 1 215 . 19 GLU H H 8.91 0.01 1 216 . 19 GLU CA C 60.9 0.15 1 217 . 19 GLU HA H 4.26 0.01 1 218 . 19 GLU CB C 29.5 0.15 1 219 . 19 GLU HB2 H 2.14 0.01 1 220 . 19 GLU HB3 H 2.14 0.01 1 221 . 19 GLU CG C 37.7 0.15 1 222 . 19 GLU HG2 H 2.41 0.01 1 223 . 19 GLU HG3 H 2.41 0.01 1 224 . 19 GLU C C 179.6 0.15 1 225 . 20 LYS N N 118.4 0.15 1 226 . 20 LYS H H 7.63 0.01 1 227 . 20 LYS CA C 57.3 0.15 1 228 . 20 LYS HA H 4.26 0.01 1 229 . 20 LYS CB C 31.6 0.15 1 230 . 20 LYS HB2 H 1.94 0.01 1 231 . 20 LYS HB3 H 2.10 0.01 1 232 . 20 LYS CG C 25.3 0.15 1 233 . 20 LYS HG2 H 1.47 0.01 2 234 . 20 LYS HG3 H 1.72 0.01 2 235 . 20 LYS CD C 27.8 0.15 1 236 . 20 LYS HD2 H 1.79 0.01 1 237 . 20 LYS HD3 H 1.79 0.01 1 238 . 20 LYS CE C 42.7 0.15 1 239 . 20 LYS HE2 H 2.92 0.01 2 240 . 20 LYS HE3 H 3.03 0.01 2 241 . 20 LYS C C 179.8 0.15 1 242 . 21 LEU N N 118.6 0.15 1 243 . 21 LEU H H 7.96 0.01 1 244 . 21 LEU CA C 58.3 0.15 1 245 . 21 LEU HA H 3.95 0.01 1 246 . 21 LEU CB C 41.9 0.15 1 247 . 21 LEU HB2 H 1.03 0.01 2 248 . 21 LEU HB3 H 2.01 0.01 2 249 . 21 LEU CG C 27.0 0.15 1 250 . 21 LEU HG H 1.77 0.01 1 251 . 21 LEU HD1 H 0.73 0.01 1 252 . 21 LEU HD2 H 0.66 0.01 1 253 . 21 LEU CD1 C 25.9 0.15 1 254 . 21 LEU CD2 C 22.6 0.15 1 255 . 21 LEU C C 179.4 0.15 1 256 . 22 GLU N N 120.4 0.15 1 257 . 22 GLU H H 8.90 0.01 1 258 . 22 GLU CA C 60.5 0.15 1 259 . 22 GLU HA H 3.70 0.01 1 260 . 22 GLU CB C 29.6 0.15 1 261 . 22 GLU HB2 H 2.47 0.01 1 262 . 22 GLU HB3 H 2.18 0.01 1 263 . 22 GLU CG C 39.3 0.15 1 264 . 22 GLU HG2 H 2.15 0.01 2 265 . 22 GLU HG3 H 2.84 0.01 2 266 . 22 GLU C C 178.1 0.15 1 267 . 23 GLU N N 118.8 0.15 1 268 . 23 GLU H H 7.58 0.01 1 269 . 23 GLU CA C 59.8 0.15 1 270 . 23 GLU HA H 3.98 0.01 1 271 . 23 GLU CB C 29.5 0.15 1 272 . 23 GLU HB2 H 2.33 0.01 1 273 . 23 GLU HB3 H 2.19 0.01 1 274 . 23 GLU CG C 36.7 0.15 1 275 . 23 GLU HG2 H 2.62 0.01 1 276 . 23 GLU HG3 H 2.32 0.01 1 277 . 23 GLU C C 178.9 0.15 1 278 . 24 ILE N N 118.9 0.15 1 279 . 24 ILE H H 7.16 0.01 1 280 . 24 ILE CA C 66.0 0.15 1 281 . 24 ILE HA H 3.37 0.01 1 282 . 24 ILE CB C 37.6 0.15 1 283 . 24 ILE HB H 1.82 0.01 1 284 . 24 ILE HG2 H 0.23 0.01 1 285 . 24 ILE CG2 C 16.7 0.15 1 286 . 24 ILE CG1 C 28.4 0.15 1 287 . 24 ILE HG12 H 0.35 0.01 2 288 . 24 ILE HG13 H 1.73 0.01 2 289 . 24 ILE HD1 H 0.52 0.01 1 290 . 24 ILE CD1 C 15.3 0.15 1 291 . 24 ILE C C 177.8 0.15 1 292 . 25 VAL N N 120.0 0.15 1 293 . 25 VAL H H 7.77 0.01 1 294 . 25 VAL CA C 68.1 0.15 1 295 . 25 VAL HA H 3.16 0.01 1 296 . 25 VAL CB C 32.1 0.15 1 297 . 25 VAL HB H 2.34 0.01 1 298 . 25 VAL HG1 H 0.96 0.01 1 299 . 25 VAL HG2 H 0.90 0.01 1 300 . 25 VAL CG1 C 22.9 0.15 1 301 . 25 VAL CG2 C 23.9 0.15 1 302 . 25 VAL C C 178.1 0.15 1 303 . 26 LYS N N 120.5 0.15 1 304 . 26 LYS H H 8.53 0.01 1 305 . 26 LYS CA C 59.5 0.15 1 306 . 26 LYS HA H 4.03 0.01 1 307 . 26 LYS CB C 33.0 0.15 1 308 . 26 LYS HB2 H 1.72 0.01 2 309 . 26 LYS HB3 H 1.85 0.01 2 310 . 26 LYS CG C 26.0 0.15 1 311 . 26 LYS HG2 H 1.40 0.01 1 312 . 26 LYS HG3 H 1.40 0.01 1 313 . 26 LYS CD C 29.7 0.15 1 314 . 26 LYS HD2 H 1.57 0.01 2 315 . 26 LYS HD3 H 1.62 0.01 2 316 . 26 LYS CE C 42.5 0.15 1 317 . 26 LYS HE2 H 2.93 0.01 1 318 . 26 LYS HE3 H 2.93 0.01 1 319 . 26 LYS C C 178.0 0.15 1 320 . 27 LYS N N 116.2 0.15 1 321 . 27 LYS H H 7.74 0.01 1 322 . 27 LYS CA C 59.6 0.15 1 323 . 27 LYS HA H 4.07 0.01 1 324 . 27 LYS CB C 34.5 0.15 1 325 . 27 LYS HB2 H 1.89 0.01 2 326 . 27 LYS HB3 H 1.98 0.01 2 327 . 27 LYS CG C 26.3 0.15 1 328 . 27 LYS HG2 H 1.53 0.01 2 329 . 27 LYS HG3 H 1.66 0.01 2 330 . 27 LYS CD C 30.0 0.15 1 331 . 27 LYS HD2 H 1.77 0.01 2 332 . 27 LYS HD3 H 1.85 0.01 2 333 . 27 LYS CE C 42.6 0.15 1 334 . 27 LYS HE2 H 3.06 0.01 1 335 . 27 LYS HE3 H 3.06 0.01 1 336 . 27 LYS C C 178.7 0.15 1 337 . 28 GLU N N 113.7 0.15 1 338 . 28 GLU H H 8.29 0.01 1 339 . 28 GLU CA C 56.8 0.15 1 340 . 28 GLU HA H 4.44 0.01 1 341 . 28 GLU CB C 30.5 0.15 1 342 . 28 GLU HB2 H 2.10 0.01 2 343 . 28 GLU HB3 H 2.19 0.01 2 344 . 28 GLU C C 176.6 0.15 1 345 . 29 ILE N N 117.5 0.15 1 346 . 29 ILE H H 8.46 0.01 1 347 . 29 ILE CA C 63.9 0.15 1 348 . 29 ILE HA H 4.09 0.01 1 349 . 29 ILE CB C 39.9 0.15 1 350 . 29 ILE HB H 1.52 0.01 1 351 . 29 ILE HG2 H 0.21 0.01 1 352 . 29 ILE CG2 C 19.2 0.15 1 353 . 29 ILE CG1 C 27.7 0.15 1 354 . 29 ILE HG12 H 0.65 0.01 2 355 . 29 ILE HG13 H 1.49 0.01 2 356 . 29 ILE HD1 H 0.74 0.01 1 357 . 29 ILE CD1 C 13.9 0.15 1 358 . 29 ILE C C 175.0 0.15 1 359 . 30 GLY N N 108.5 0.15 1 360 . 30 GLY H H 8.30 0.01 1 361 . 30 GLY CA C 44.5 0.15 1 362 . 30 GLY HA2 H 3.85 0.01 2 363 . 30 GLY HA3 H 4.30 0.01 2 364 . 30 GLY C C 172.1 0.15 1 365 . 31 ASP N N 122.2 0.15 1 366 . 31 ASP H H 8.35 0.01 1 367 . 31 ASP CA C 53.9 0.15 1 368 . 31 ASP HA H 4.67 0.01 1 369 . 31 ASP CB C 39.5 0.15 1 370 . 31 ASP HB2 H 2.43 0.01 2 371 . 31 ASP HB3 H 2.54 0.01 2 372 . 31 ASP C C 175.1 0.15 1 373 . 32 VAL N N 115.5 0.15 1 374 . 32 VAL H H 7.26 0.01 1 375 . 32 VAL CA C 58.9 0.15 1 376 . 32 VAL HA H 4.55 0.01 1 377 . 32 VAL CB C 35.5 0.15 1 378 . 32 VAL HB H 2.03 0.01 1 379 . 32 VAL HG1 H 0.14 0.01 2 380 . 32 VAL HG2 H 0.37 0.01 2 381 . 32 VAL CG1 C 17.7 0.15 1 382 . 32 VAL CG2 C 21.5 0.15 1 383 . 32 VAL C C 173.5 0.15 1 384 . 33 HIS N N 115.4 0.15 1 385 . 33 HIS H H 8.44 0.01 1 386 . 33 HIS CA C 54.8 0.15 1 387 . 33 HIS HA H 5.55 0.01 1 388 . 33 HIS CB C 30.5 0.15 1 389 . 33 HIS HB2 H 2.99 0.01 2 390 . 33 HIS HB3 H 3.29 0.01 2 391 . 33 HIS HD2 H 7.02 0.01 1 392 . 33 HIS C C 175.2 0.15 1 393 . 34 VAL N N 123.4 0.15 1 394 . 34 VAL H H 8.84 0.01 1 395 . 34 VAL CA C 61.1 0.15 1 396 . 34 VAL HA H 4.76 0.01 1 397 . 34 VAL CB C 36.7 0.15 1 398 . 34 VAL HB H 1.86 0.01 1 399 . 34 VAL HG1 H 0.69 0.01 1 400 . 34 VAL HG2 H 0.82 0.01 1 401 . 34 VAL CG1 C 21.6 0.15 1 402 . 34 VAL CG2 C 22.6 0.15 1 403 . 34 VAL C C 174.0 0.15 1 404 . 35 ASN N N 123.3 0.15 1 405 . 35 ASN H H 7.75 0.01 1 406 . 35 ASN CA C 51.7 0.15 1 407 . 35 ASN HA H 5.61 0.01 1 408 . 35 ASN CB C 40.3 0.15 1 409 . 35 ASN HB2 H 2.33 0.01 2 410 . 35 ASN HB3 H 2.63 0.01 2 411 . 35 ASN ND2 N 112.5 0.15 1 412 . 35 ASN HD21 H 7.53 0.01 1 413 . 35 ASN HD22 H 6.89 0.01 1 414 . 35 ASN C C 173.8 0.15 1 415 . 36 VAL N N 126.1 0.15 1 416 . 36 VAL H H 9.20 0.01 1 417 . 36 VAL CA C 61.7 0.15 1 418 . 36 VAL HA H 4.80 0.01 1 419 . 36 VAL CB C 33.1 0.15 1 420 . 36 VAL HB H 2.02 0.01 1 421 . 36 VAL HG1 H 0.85 0.01 1 422 . 36 VAL HG2 H 0.74 0.01 1 423 . 36 VAL CG1 C 21.8 0.15 1 424 . 36 VAL CG2 C 21.3 0.15 1 425 . 36 VAL C C 174.9 0.15 1 426 . 37 ILE N N 127.5 0.15 1 427 . 37 ILE H H 9.27 0.01 1 428 . 37 ILE CA C 61.2 0.15 1 429 . 37 ILE HA H 4.50 0.01 1 430 . 37 ILE CB C 40.2 0.15 1 431 . 37 ILE HB H 1.26 0.01 1 432 . 37 ILE HG2 H 0.67 0.01 1 433 . 37 ILE CG2 C 19.5 0.15 1 434 . 37 ILE CG1 C 29.0 0.15 1 435 . 37 ILE HG12 H 0.69 0.01 1 436 . 37 ILE HG13 H 0.96 0.01 1 437 . 37 ILE HD1 H 0.23 0.01 1 438 . 37 ILE CD1 C 15.2 0.15 1 439 . 37 ILE C C 174.9 0.15 1 440 . 38 LEU N N 129.0 0.15 1 441 . 38 LEU H H 8.59 0.01 1 442 . 38 LEU CA C 54.7 0.15 1 443 . 38 LEU HA H 5.29 0.01 1 444 . 38 LEU CB C 41.9 0.15 1 445 . 38 LEU HB2 H 1.26 0.01 2 446 . 38 LEU HB3 H 1.72 0.01 2 447 . 38 LEU CG C 28.5 0.15 1 448 . 38 LEU HG H 1.59 0.01 1 449 . 38 LEU HD1 H 0.64 0.01 1 450 . 38 LEU HD2 H 0.64 0.01 1 451 . 38 LEU CD1 C 25.6 0.15 1 452 . 38 LEU CD2 C 24.1 0.15 1 453 . 38 LEU C C 177.4 0.15 1 454 . 39 VAL N N 115.3 0.15 1 455 . 39 VAL H H 8.91 0.01 1 456 . 39 VAL CA C 59.5 0.15 1 457 . 39 VAL HA H 5.07 0.01 1 458 . 39 VAL CB C 36.7 0.15 1 459 . 39 VAL HB H 2.67 0.01 1 460 . 39 VAL HG1 H 0.95 0.01 1 461 . 39 VAL HG2 H 1.11 0.01 1 462 . 39 VAL CG1 C 20.3 0.15 1 463 . 39 VAL CG2 C 24.4 0.15 1 464 . 39 VAL C C 175.7 0.15 1 465 . 40 SER N N 116.7 0.15 1 466 . 40 SER H H 8.98 0.01 1 467 . 40 SER CA C 57.8 0.15 1 468 . 40 SER HA H 4.69 0.01 1 469 . 40 SER CB C 66.2 0.15 1 470 . 40 SER HB2 H 4.10 0.01 1 471 . 40 SER HB3 H 4.10 0.01 1 472 . 40 SER C C 175.0 0.15 1 473 . 41 GLU N N 122.4 0.15 1 474 . 41 GLU H H 9.34 0.01 1 475 . 41 GLU CA C 60.3 0.15 1 476 . 41 GLU HA H 4.37 0.01 1 477 . 41 GLU CB C 30.1 0.15 1 478 . 41 GLU HB2 H 2.09 0.01 1 479 . 41 GLU HB3 H 2.09 0.01 1 480 . 41 GLU CG C 37.3 0.15 1 481 . 41 GLU HG2 H 2.25 0.01 1 482 . 41 GLU HG3 H 2.25 0.01 1 483 . 41 GLU C C 178.1 0.15 1 484 . 42 ASP N N 118.1 0.15 1 485 . 42 ASP H H 8.34 0.01 1 486 . 42 ASP CA C 57.8 0.15 1 487 . 42 ASP HA H 4.40 0.01 1 488 . 42 ASP CB C 40.8 0.15 1 489 . 42 ASP HB2 H 2.57 0.01 2 490 . 42 ASP HB3 H 2.70 0.01 2 491 . 42 ASP C C 179.1 0.15 1 492 . 43 GLU N N 120.3 0.15 1 493 . 43 GLU H H 7.78 0.01 1 494 . 43 GLU CA C 59.5 0.15 1 495 . 43 GLU HA H 4.08 0.01 1 496 . 43 GLU CB C 30.6 0.15 1 497 . 43 GLU HB2 H 2.39 0.01 2 498 . 43 GLU HB3 H 1.96 0.01 2 499 . 43 GLU CG C 36.8 0.15 1 500 . 43 GLU HG2 H 2.67 0.01 1 501 . 43 GLU HG3 H 2.67 0.01 1 502 . 43 GLU C C 179.6 0.15 1 503 . 44 ILE N N 119.9 0.15 1 504 . 44 ILE H H 8.66 0.01 1 505 . 44 ILE CA C 64.5 0.15 1 506 . 44 ILE HA H 4.17 0.01 1 507 . 44 ILE CB C 38.3 0.15 1 508 . 44 ILE HB H 1.86 0.01 1 509 . 44 ILE HG2 H 1.57 0.01 1 510 . 44 ILE CG2 C 19.7 0.15 1 511 . 44 ILE CG1 C 32.6 0.15 1 512 . 44 ILE HG12 H 1.42 0.01 1 513 . 44 ILE HG13 H 1.42 0.01 1 514 . 44 ILE HD1 H 0.72 0.01 1 515 . 44 ILE CD1 C 15.0 0.15 1 516 . 44 ILE C C 176.8 0.15 1 517 . 45 LYS N N 124.8 0.15 1 518 . 45 LYS H H 8.02 0.01 1 519 . 45 LYS CA C 59.8 0.15 1 520 . 45 LYS HA H 4.13 0.01 1 521 . 45 LYS CB C 33.2 0.15 1 522 . 45 LYS HB2 H 2.04 0.01 1 523 . 45 LYS HB3 H 2.04 0.01 1 524 . 45 LYS CG C 25.1 0.15 1 525 . 45 LYS HG2 H 1.20 0.01 2 526 . 45 LYS HG3 H 1.31 0.01 2 527 . 45 LYS CD C 30.4 0.15 1 528 . 45 LYS HD2 H 1.65 0.01 1 529 . 45 LYS HD3 H 1.65 0.01 1 530 . 45 LYS CE C 42.6 0.15 1 531 . 45 LYS HE2 H 2.91 0.01 1 532 . 45 LYS HE3 H 2.91 0.01 1 533 . 45 LYS C C 177.6 0.15 1 534 . 46 GLU N N 119.0 0.15 1 535 . 46 GLU H H 7.50 0.01 1 536 . 46 GLU CA C 59.7 0.15 1 537 . 46 GLU HA H 4.13 0.01 1 538 . 46 GLU CB C 29.5 0.15 1 539 . 46 GLU HB2 H 2.14 0.01 1 540 . 46 GLU HB3 H 2.14 0.01 1 541 . 46 GLU CG C 37.2 0.15 1 542 . 46 GLU HG2 H 2.41 0.01 1 543 . 46 GLU HG3 H 2.28 0.01 1 544 . 46 GLU C C 179.7 0.15 1 545 . 47 LEU N N 119.6 0.15 1 546 . 47 LEU H H 7.74 0.01 1 547 . 47 LEU CA C 58.3 0.15 1 548 . 47 LEU HA H 4.06 0.01 1 549 . 47 LEU CB C 43.4 0.15 1 550 . 47 LEU HB2 H 1.12 0.01 2 551 . 47 LEU HB3 H 1.76 0.01 2 552 . 47 LEU CG C 27.0 0.15 1 553 . 47 LEU HG H 1.65 0.01 1 554 . 47 LEU HD1 H 0.19 0.01 1 555 . 47 LEU HD2 H 0.52 0.01 1 556 . 47 LEU CD1 C 25.7 0.15 1 557 . 47 LEU CD2 C 23.1 0.15 1 558 . 47 LEU C C 178.5 0.15 1 559 . 48 ASN N N 121.6 0.15 1 560 . 48 ASN H H 8.66 0.01 1 561 . 48 ASN CA C 55.2 0.15 1 562 . 48 ASN HA H 4.65 0.01 1 563 . 48 ASN CB C 38.3 0.15 1 564 . 48 ASN HB2 H 2.96 0.01 1 565 . 48 ASN HB3 H 3.74 0.01 1 566 . 48 ASN ND2 N 106.7 0.15 1 567 . 48 ASN HD21 H 7.70 0.01 1 568 . 48 ASN HD22 H 6.79 0.01 1 569 . 48 ASN C C 180.0 0.15 1 570 . 49 GLN N N 122.6 0.15 1 571 . 49 GLN H H 8.72 0.01 1 572 . 49 GLN CA C 60.3 0.15 1 573 . 49 GLN HA H 3.67 0.01 1 574 . 49 GLN CB C 28.8 0.15 1 575 . 49 GLN HB2 H 2.14 0.01 2 576 . 49 GLN HB3 H 2.18 0.01 2 577 . 49 GLN CG C 34.2 0.15 1 578 . 49 GLN HG2 H 2.23 0.01 2 579 . 49 GLN HG3 H 2.35 0.01 2 580 . 49 GLN NE2 N 110.8 0.15 1 581 . 49 GLN HE21 H 7.36 0.01 1 582 . 49 GLN HE22 H 6.60 0.01 1 583 . 49 GLN C C 179.0 0.15 1 584 . 50 GLN N N 118.9 0.15 1 585 . 50 GLN H H 8.24 0.01 1 586 . 50 GLN CA C 59.3 0.15 1 587 . 50 GLN HA H 3.85 0.01 1 588 . 50 GLN CB C 29.5 0.15 1 589 . 50 GLN HB2 H 1.96 0.01 1 590 . 50 GLN HB3 H 1.64 0.01 1 591 . 50 GLN CG C 33.8 0.15 1 592 . 50 GLN HG2 H 1.88 0.01 2 593 . 50 GLN HG3 H 2.17 0.01 2 594 . 50 GLN NE2 N 111.3 0.15 1 595 . 50 GLN HE21 H 7.20 0.01 1 596 . 50 GLN HE22 H 6.69 0.01 1 597 . 50 GLN C C 178.1 0.15 1 598 . 51 PHE N N 114.0 0.15 1 599 . 51 PHE H H 8.76 0.01 1 600 . 51 PHE CA C 59.3 0.15 1 601 . 51 PHE HA H 4.82 0.01 1 602 . 51 PHE CB C 40.3 0.15 1 603 . 51 PHE HB2 H 3.15 0.01 2 604 . 51 PHE HB3 H 3.41 0.01 2 605 . 51 PHE HD1 H 7.35 0.01 1 606 . 51 PHE HD2 H 7.35 0.01 1 607 . 51 PHE HE1 H 7.15 0.01 1 608 . 51 PHE HE2 H 7.15 0.01 1 609 . 51 PHE HZ H 6.83 0.01 1 610 . 51 PHE C C 177.7 0.15 1 611 . 52 ARG N N 116.2 0.15 1 612 . 52 ARG H H 8.05 0.01 1 613 . 52 ARG CA C 55.0 0.15 1 614 . 52 ARG HA H 4.91 0.01 1 615 . 52 ARG CB C 31.6 0.15 1 616 . 52 ARG HB2 H 2.04 0.01 2 617 . 52 ARG HB3 H 2.57 0.01 2 618 . 52 ARG CG C 28.0 0.15 1 619 . 52 ARG HG2 H 1.63 0.01 2 620 . 52 ARG HG3 H 1.89 0.01 2 621 . 52 ARG CD C 43.9 0.15 1 622 . 52 ARG HD2 H 3.37 0.01 2 623 . 52 ARG HD3 H 3.44 0.01 2 624 . 52 ARG C C 177.0 0.15 1 625 . 53 GLY N N 110.4 0.15 1 626 . 53 GLY H H 7.70 0.01 1 627 . 53 GLY CA C 47.0 0.15 1 628 . 53 GLY HA2 H 4.04 0.01 1 629 . 53 GLY HA3 H 4.16 0.01 1 630 . 53 GLY C C 174.1 0.15 1 631 . 54 GLN N N 120.1 0.15 1 632 . 54 GLN H H 7.16 0.01 1 633 . 54 GLN CA C 54.7 0.15 1 634 . 54 GLN HA H 4.55 0.01 1 635 . 54 GLN CB C 31.1 0.15 1 636 . 54 GLN HB2 H 1.76 0.01 2 637 . 54 GLN HB3 H 1.89 0.01 2 638 . 54 GLN CG C 33.5 0.15 1 639 . 54 GLN HG2 H 2.19 0.01 2 640 . 54 GLN HG3 H 2.31 0.01 2 641 . 54 GLN NE2 N 112.6 0.15 1 642 . 54 GLN HE21 H 7.49 0.01 1 643 . 54 GLN HE22 H 6.93 0.01 1 644 . 54 GLN C C 173.9 0.15 1 645 . 55 ASP N N 124.7 0.15 1 646 . 55 ASP H H 8.57 0.01 1 647 . 55 ASP CA C 52.9 0.15 1 648 . 55 ASP HA H 4.77 0.01 1 649 . 55 ASP CB C 39.3 0.15 1 650 . 55 ASP HB2 H 2.48 0.01 2 651 . 55 ASP HB3 H 2.76 0.01 2 652 . 55 ASP C C 175.5 0.15 1 653 . 56 ARG N N 117.6 0.15 1 654 . 56 ARG H H 7.89 0.01 1 655 . 56 ARG CA C 53.6 0.15 1 656 . 56 ARG HA H 4.85 0.01 1 657 . 56 ARG CB C 31.4 0.15 1 658 . 56 ARG HB2 H 1.71 0.01 2 659 . 56 ARG HB3 H 2.02 0.01 2 660 . 56 ARG CG C 26.2 0.15 1 661 . 56 ARG HG2 H 1.47 0.01 2 662 . 56 ARG HG3 H 1.52 0.01 2 663 . 56 ARG CD C 44.3 0.15 1 664 . 56 ARG HD2 H 3.21 0.01 1 665 . 56 ARG HD3 H 3.21 0.01 1 666 . 57 PRO CD C 50.4 0.15 1 667 . 57 PRO CA C 62.9 0.15 1 668 . 57 PRO HA H 4.46 0.01 1 669 . 57 PRO CB C 32.7 0.15 1 670 . 57 PRO HB2 H 1.95 0.01 2 671 . 57 PRO HB3 H 2.40 0.01 2 672 . 57 PRO CG C 27.8 0.15 1 673 . 57 PRO HG2 H 2.10 0.01 1 674 . 57 PRO HG3 H 2.16 0.01 1 675 . 57 PRO HD2 H 3.72 0.01 1 676 . 57 PRO HD3 H 3.72 0.01 1 677 . 57 PRO C C 173.8 0.15 1 678 . 58 THR N N 111.2 0.15 1 679 . 58 THR H H 6.86 0.01 1 680 . 58 THR CA C 59.3 0.15 1 681 . 58 THR HA H 4.54 0.01 1 682 . 58 THR CB C 69.6 0.15 1 683 . 58 THR HB H 4.11 0.01 1 684 . 58 THR HG2 H 0.91 0.01 1 685 . 58 THR CG2 C 18.8 0.15 1 686 . 58 THR C C 170.3 0.15 1 687 . 59 ASP N N 119.9 0.15 1 688 . 59 ASP H H 9.47 0.01 1 689 . 59 ASP CA C 56.7 0.15 1 690 . 59 ASP HA H 4.34 0.01 1 691 . 59 ASP CB C 40.3 0.15 1 692 . 59 ASP HB2 H 2.53 0.01 1 693 . 59 ASP HB3 H 2.53 0.01 1 694 . 59 ASP C C 175.4 0.15 1 695 . 60 VAL N N 117.6 0.15 1 696 . 60 VAL H H 7.86 0.01 1 697 . 60 VAL CA C 58.8 0.15 1 698 . 60 VAL HA H 5.68 0.01 1 699 . 60 VAL CB C 35.2 0.15 1 700 . 60 VAL HB H 1.84 0.01 1 701 . 60 VAL HG1 H 0.86 0.01 1 702 . 60 VAL HG2 H 0.82 0.01 1 703 . 60 VAL CG1 C 19.3 0.15 1 704 . 60 VAL CG2 C 22.4 0.15 1 705 . 60 VAL C C 173.1 0.15 1 706 . 61 LEU N N 127.7 0.15 1 707 . 61 LEU H H 9.08 0.01 1 708 . 61 LEU CA C 54.2 0.15 1 709 . 61 LEU HA H 4.62 0.01 1 710 . 61 LEU CB C 48.5 0.15 1 711 . 61 LEU HB2 H 1.50 0.01 1 712 . 61 LEU HB3 H 1.33 0.01 1 713 . 61 LEU CG C 27.2 0.15 1 714 . 61 LEU HG H 1.38 0.01 1 715 . 61 LEU HD1 H 0.82 0.01 1 716 . 61 LEU HD2 H 0.94 0.01 1 717 . 61 LEU CD1 C 27.6 0.15 1 718 . 61 LEU CD2 C 25.1 0.15 1 719 . 61 LEU C C 175.0 0.15 1 720 . 62 THR N N 117.1 0.15 1 721 . 62 THR H H 8.14 0.01 1 722 . 62 THR CA C 61.7 0.15 1 723 . 62 THR HA H 5.18 0.01 1 724 . 62 THR CB C 70.5 0.15 1 725 . 62 THR HB H 3.73 0.01 1 726 . 62 THR HG2 H 1.19 0.01 1 727 . 62 THR CG2 C 23.5 0.15 1 728 . 62 THR C C 173.5 0.15 1 729 . 63 PHE N N 123.0 0.15 1 730 . 63 PHE H H 9.26 0.01 1 731 . 63 PHE CA C 54.7 0.15 1 732 . 63 PHE HA H 5.09 0.01 1 733 . 63 PHE CB C 42.5 0.15 1 734 . 63 PHE HB2 H 2.99 0.01 2 735 . 63 PHE HB3 H 3.04 0.01 2 736 . 63 PHE HD1 H 7.10 0.01 1 737 . 63 PHE HD2 H 7.10 0.01 1 738 . 63 PHE HE1 H 6.78 0.01 1 739 . 63 PHE HE2 H 6.78 0.01 1 740 . 64 PRO CD C 51.2 0.15 1 741 . 64 PRO CA C 63.9 0.15 1 742 . 64 PRO CB C 32.5 0.15 1 743 . 64 PRO CG C 27.7 0.15 1 744 . 64 PRO HG2 H 2.06 0.01 1 745 . 64 PRO HG3 H 2.06 0.01 1 746 . 64 PRO HD2 H 3.65 0.01 2 747 . 64 PRO HD3 H 3.75 0.01 2 748 . 64 PRO C C 174.6 0.15 1 749 . 65 LEU N N 124.8 0.15 1 750 . 65 LEU H H 8.16 0.01 1 751 . 65 LEU CA C 56.5 0.15 1 752 . 65 LEU HA H 4.43 0.01 1 753 . 65 LEU CB C 44.5 0.15 1 754 . 65 LEU HB2 H 1.43 0.01 2 755 . 65 LEU HB3 H 1.47 0.01 2 756 . 65 LEU CG C 27.8 0.15 1 757 . 65 LEU HG H 1.53 0.01 1 758 . 65 LEU HD1 H 0.80 0.01 1 759 . 65 LEU HD2 H 0.81 0.01 1 760 . 65 LEU CD1 C 25.9 0.15 1 761 . 65 LEU CD2 C 23.9 0.15 1 762 . 66 MET N N 114.7 0.15 1 763 . 66 MET H H 8.81 0.01 1 764 . 66 MET CA C 56.9 0.15 1 765 . 66 MET HA H 3.84 0.01 1 766 . 66 MET CB C 30.1 0.15 1 767 . 66 MET HB2 H 2.08 0.01 1 768 . 66 MET HB3 H 2.13 0.01 1 769 . 66 MET CG C 33.3 0.15 1 770 . 66 MET HG2 H 2.17 0.01 2 771 . 66 MET HG3 H 2.24 0.01 2 772 . 66 MET HE H 1.98 0.01 1 773 . 66 MET CE C 17.8 0.15 1 774 . 66 MET C C 175.5 0.15 1 775 . 67 GLU N N 117.6 0.15 1 776 . 67 GLU H H 7.68 0.01 1 777 . 67 GLU CA C 55.8 0.15 1 778 . 67 GLU HA H 4.54 0.01 1 779 . 67 GLU CB C 31.8 0.15 1 780 . 67 GLU HB2 H 2.05 0.01 1 781 . 67 GLU HB3 H 2.27 0.01 1 782 . 67 GLU CG C 37.3 0.15 1 783 . 67 GLU HG2 H 2.29 0.01 1 784 . 67 GLU HG3 H 2.29 0.01 1 785 . 67 GLU C C 176.8 0.15 1 786 . 68 GLU N N 120.7 0.15 1 787 . 68 GLU H H 8.81 0.01 1 788 . 68 GLU CA C 56.5 0.15 1 789 . 68 GLU HA H 4.08 0.01 1 790 . 68 GLU CB C 31.5 0.15 1 791 . 68 GLU HB2 H 2.09 0.01 1 792 . 68 GLU HB3 H 2.09 0.01 1 793 . 68 GLU CG C 36.0 0.15 1 794 . 68 GLU C C 177.5 0.15 1 795 . 69 ASP N N 114.2 0.15 1 796 . 69 ASP H H 8.57 0.01 1 797 . 69 ASP CA C 55.4 0.15 1 798 . 69 ASP HA H 4.66 0.01 1 799 . 69 ASP CB C 41.7 0.15 1 800 . 69 ASP HB2 H 2.66 0.01 2 801 . 69 ASP HB3 H 2.71 0.01 2 802 . 69 ASP C C 175.9 0.15 1 803 . 70 VAL N N 117.8 0.15 1 804 . 70 VAL H H 7.23 0.01 1 805 . 70 VAL CA C 62.7 0.15 1 806 . 70 VAL HA H 4.13 0.01 1 807 . 70 VAL CB C 34.2 0.15 1 808 . 70 VAL HB H 2.07 0.01 1 809 . 70 VAL HG2 H 0.85 0.01 2 810 . 70 VAL CG2 C 22.8 0.15 1 811 . 71 TYR N N 130.4 0.15 1 812 . 71 TYR H H 7.55 0.01 1 813 . 71 TYR CA C 61.9 0.15 1 814 . 71 TYR HA H 5.79 0.01 1 815 . 71 TYR CB C 41.3 0.15 1 816 . 71 TYR HB2 H 2.76 0.01 2 817 . 71 TYR HB3 H 3.38 0.01 2 818 . 71 TYR HD1 H 6.95 0.01 1 819 . 71 TYR HD2 H 6.95 0.01 1 820 . 72 GLY N N 128.8 0.15 1 821 . 72 GLY H H 9.55 0.01 1 822 . 72 GLY CA C 46.1 0.15 1 823 . 72 GLY HA2 H 4.07 0.01 2 824 . 72 GLY HA3 H 4.54 0.01 2 825 . 72 GLY C C 182.1 0.15 1 826 . 73 GLU N N 117.6 0.15 1 827 . 73 GLU H H 8.59 0.01 1 828 . 73 GLU CA C 55.2 0.15 1 829 . 73 GLU HA H 5.30 0.01 1 830 . 73 GLU CB C 34.8 0.15 1 831 . 73 GLU HB2 H 2.15 0.01 1 832 . 73 GLU HB3 H 1.66 0.01 1 833 . 73 GLU CG C 38.4 0.15 1 834 . 73 GLU HG2 H 2.04 0.01 2 835 . 73 GLU HG3 H 2.35 0.01 2 836 . 73 GLU C C 174.2 0.15 1 837 . 74 ILE N N 123.4 0.15 1 838 . 74 ILE H H 8.89 0.01 1 839 . 74 ILE CA C 61.0 0.15 1 840 . 74 ILE HA H 4.21 0.01 1 841 . 74 ILE CB C 39.3 0.15 1 842 . 74 ILE HB H 1.88 0.01 1 843 . 74 ILE HG2 H 0.95 0.01 1 844 . 74 ILE CG2 C 17.9 0.15 1 845 . 74 ILE CG1 C 27.7 0.15 1 846 . 74 ILE HG12 H 1.21 0.01 2 847 . 74 ILE HG13 H 1.49 0.01 2 848 . 74 ILE HD1 H 0.88 0.01 1 849 . 74 ILE CD1 C 13.1 0.15 1 850 . 74 ILE C C 174.0 0.15 1 851 . 75 TYR N N 127.6 0.15 1 852 . 75 TYR H H 9.55 0.01 1 853 . 75 TYR CA C 57.8 0.15 1 854 . 75 TYR HA H 5.29 0.01 1 855 . 75 TYR CB C 40.3 0.15 1 856 . 75 TYR HB2 H 2.56 0.01 2 857 . 75 TYR HB3 H 2.99 0.01 2 858 . 75 TYR HD1 H 6.97 0.01 1 859 . 75 TYR HD2 H 6.97 0.01 1 860 . 75 TYR HE1 H 6.73 0.01 1 861 . 75 TYR HE2 H 6.73 0.01 1 862 . 75 TYR C C 174.9 0.15 1 863 . 76 VAL N N 120.5 0.15 1 864 . 76 VAL H H 9.20 0.01 1 865 . 76 VAL CA C 59.6 0.15 1 866 . 76 VAL HA H 5.10 0.01 1 867 . 76 VAL CB C 36.2 0.15 1 868 . 76 VAL HB H 1.73 0.01 1 869 . 76 VAL HG1 H 0.73 0.01 1 870 . 76 VAL HG2 H 0.76 0.01 1 871 . 76 VAL CG1 C 21.8 0.15 1 872 . 76 VAL CG2 C 22.4 0.15 1 873 . 76 VAL C C 174.6 0.15 1 874 . 77 CYS N N 127.4 0.15 1 875 . 77 CYS H H 8.77 0.01 1 876 . 77 CYS CA C 54.5 0.15 1 877 . 77 CYS HA H 6.02 0.01 1 878 . 77 CYS CB C 29.0 0.15 1 879 . 77 CYS HB2 H 2.73 0.01 2 880 . 77 CYS HB3 H 3.34 0.01 2 881 . 78 PRO CD C 52.2 0.15 1 882 . 78 PRO CA C 65.9 0.15 1 883 . 78 PRO HA H 4.27 0.01 1 884 . 78 PRO CB C 33.7 0.15 1 885 . 78 PRO HB2 H 2.34 0.01 2 886 . 78 PRO HB3 H 2.74 0.01 2 887 . 78 PRO CG C 29.3 0.15 1 888 . 78 PRO HG2 H 2.07 0.01 2 889 . 78 PRO HG3 H 2.44 0.01 2 890 . 78 PRO HD2 H 4.29 0.01 1 891 . 78 PRO HD3 H 4.29 0.01 1 892 . 78 PRO C C 177.4 0.15 1 893 . 79 LEU N N 119.4 0.15 1 894 . 79 LEU H H 8.27 0.01 1 895 . 79 LEU CA C 59.3 0.15 1 896 . 79 LEU HA H 4.32 0.01 1 897 . 79 LEU CB C 42.4 0.15 1 898 . 79 LEU HB2 H 1.70 0.01 2 899 . 79 LEU HB3 H 1.84 0.01 2 900 . 79 LEU CG C 27.9 0.15 1 901 . 79 LEU HG H 1.76 0.01 1 902 . 79 LEU HD1 H 1.03 0.01 1 903 . 79 LEU HD2 H 0.96 0.01 1 904 . 79 LEU CD1 C 25.1 0.15 1 905 . 79 LEU CD2 C 25.4 0.15 1 906 . 79 LEU C C 179.3 0.15 1 907 . 80 ILE N N 119.8 0.15 1 908 . 80 ILE H H 7.19 0.01 1 909 . 80 ILE CA C 62.1 0.15 1 910 . 80 ILE HA H 3.94 0.01 1 911 . 80 ILE CB C 37.2 0.15 1 912 . 80 ILE HB H 1.95 0.01 1 913 . 80 ILE HG2 H 0.84 0.01 1 914 . 80 ILE CG2 C 18.3 0.15 1 915 . 80 ILE CG1 C 28.5 0.15 1 916 . 80 ILE HG12 H 1.38 0.01 2 917 . 80 ILE HG13 H 1.58 0.01 2 918 . 80 ILE HD1 H 0.74 0.01 1 919 . 80 ILE CD1 C 10.0 0.15 1 920 . 80 ILE C C 177.9 0.15 1 921 . 81 VAL N N 121.3 0.15 1 922 . 81 VAL H H 7.85 0.01 1 923 . 81 VAL CA C 66.9 0.15 1 924 . 81 VAL HA H 4.05 0.01 1 925 . 81 VAL CB C 31.9 0.15 1 926 . 81 VAL HB H 2.43 0.01 1 927 . 81 VAL HG1 H 0.72 0.01 1 928 . 81 VAL HG2 H 1.11 0.01 1 929 . 81 VAL CG1 C 22.4 0.15 1 930 . 81 VAL CG2 C 23.9 0.15 1 931 . 81 VAL C C 178.1 0.15 1 932 . 82 GLU N N 118.9 0.15 1 933 . 82 GLU H H 8.68 0.01 1 934 . 82 GLU CA C 60.9 0.15 1 935 . 82 GLU HA H 4.08 0.01 1 936 . 82 GLU CB C 30.1 0.15 1 937 . 82 GLU HB2 H 2.14 0.01 2 938 . 82 GLU HB3 H 2.32 0.01 2 939 . 82 GLU C C 178.5 0.15 1 940 . 83 GLU N N 120.5 0.15 1 941 . 83 GLU H H 7.78 0.01 1 942 . 83 GLU CA C 59.8 0.15 1 943 . 83 GLU HA H 4.07 0.01 1 944 . 83 GLU CB C 29.7 0.15 1 945 . 83 GLU HB2 H 2.08 0.01 2 946 . 83 GLU HB3 H 2.21 0.01 2 947 . 83 GLU CG C 36.7 0.15 1 948 . 83 GLU HG2 H 2.50 0.01 1 949 . 83 GLU HG3 H 2.50 0.01 1 950 . 83 GLU C C 179.2 0.15 1 951 . 84 ASN N N 121.1 0.15 1 952 . 84 ASN H H 8.79 0.01 1 953 . 84 ASN CA C 55.7 0.15 1 954 . 84 ASN HA H 4.32 0.01 1 955 . 84 ASN CB C 37.2 0.15 1 956 . 84 ASN HB2 H 2.73 0.01 2 957 . 84 ASN HB3 H 3.10 0.01 2 958 . 84 ASN ND2 N 111.3 0.15 1 959 . 84 ASN HD21 H 6.79 0.01 2 960 . 84 ASN HD22 H 8.69 0.01 2 961 . 84 ASN C C 177.6 0.15 1 962 . 85 ALA N N 122.6 0.15 1 963 . 85 ALA H H 8.82 0.01 1 964 . 85 ALA CA C 55.7 0.15 1 965 . 85 ALA HA H 3.92 0.01 1 966 . 85 ALA HB H 1.40 0.01 1 967 . 85 ALA CB C 17.2 0.15 1 968 . 85 ALA C C 179.4 0.15 1 969 . 86 ARG N N 116.3 0.15 1 970 . 86 ARG H H 7.77 0.01 1 971 . 86 ARG CA C 59.7 0.15 1 972 . 86 ARG HA H 4.16 0.01 1 973 . 86 ARG CB C 30.6 0.15 1 974 . 86 ARG HB2 H 2.01 0.01 1 975 . 86 ARG HB3 H 2.01 0.01 1 976 . 86 ARG CG C 28.0 0.15 1 977 . 86 ARG HG2 H 1.69 0.01 2 978 . 86 ARG HG3 H 1.90 0.01 2 979 . 86 ARG CD C 43.9 0.15 1 980 . 86 ARG HD2 H 3.31 0.01 1 981 . 86 ARG HD3 H 3.31 0.01 1 982 . 86 ARG C C 179.9 0.15 1 983 . 87 GLU N N 120.9 0.15 1 984 . 87 GLU H H 7.97 0.01 1 985 . 87 GLU CA C 59.3 0.15 1 986 . 87 GLU HA H 3.88 0.01 1 987 . 87 GLU CB C 29.5 0.15 1 988 . 87 GLU HB2 H 1.68 0.01 1 989 . 87 GLU HB3 H 1.92 0.01 1 990 . 87 GLU CG C 35.7 0.15 1 991 . 87 GLU HG2 H 1.82 0.01 2 992 . 87 GLU HG3 H 1.97 0.01 2 993 . 87 GLU C C 177.8 0.15 1 994 . 88 PHE N N 114.9 0.15 1 995 . 88 PHE H H 7.91 0.01 1 996 . 88 PHE CA C 56.9 0.15 1 997 . 88 PHE HA H 4.73 0.01 1 998 . 88 PHE CB C 38.3 0.15 1 999 . 88 PHE HB2 H 2.74 0.01 2 1000 . 88 PHE HB3 H 3.48 0.01 2 1001 . 88 PHE HD1 H 7.34 0.01 1 1002 . 88 PHE HD2 H 7.34 0.01 1 1003 . 88 PHE C C 175.2 0.15 1 1004 . 89 ASN N N 117.0 0.15 1 1005 . 89 ASN H H 7.85 0.01 1 1006 . 89 ASN CA C 54.9 0.15 1 1007 . 89 ASN HA H 4.46 0.01 1 1008 . 89 ASN CB C 37.8 0.15 1 1009 . 89 ASN HB2 H 2.85 0.01 1 1010 . 89 ASN HB3 H 3.18 0.01 1 1011 . 89 ASN ND2 N 112.6 0.15 1 1012 . 89 ASN HD21 H 7.59 0.01 1 1013 . 89 ASN HD22 H 6.88 0.01 1 1014 . 89 ASN C C 173.9 0.15 1 1015 . 90 ASN N N 118.4 0.15 1 1016 . 90 ASN H H 9.11 0.01 1 1017 . 90 ASN CA C 50.1 0.15 1 1018 . 90 ASN HA H 5.28 0.01 1 1019 . 90 ASN CB C 41.9 0.15 1 1020 . 90 ASN HB2 H 2.68 0.01 1 1021 . 90 ASN HB3 H 2.74 0.01 1 1022 . 90 ASN ND2 N 112.2 0.15 1 1023 . 90 ASN HD21 H 6.80 0.01 1 1024 . 90 ASN HD22 H 8.40 0.01 1 1025 . 90 ASN C C 175.8 0.15 1 1026 . 91 THR N N 112.2 0.15 1 1027 . 91 THR H H 7.91 0.01 1 1028 . 91 THR CA C 61.0 0.15 1 1029 . 91 THR HA H 4.56 0.01 1 1030 . 91 THR CB C 70.7 0.15 1 1031 . 91 THR HB H 4.54 0.01 1 1032 . 91 THR HG2 H 1.54 0.01 1 1033 . 91 THR CG2 C 23.3 0.15 1 1034 . 91 THR C C 175.3 0.15 1 1035 . 92 PHE N N 124.9 0.15 1 1036 . 92 PHE H H 9.34 0.01 1 1037 . 92 PHE CA C 62.2 0.15 1 1038 . 92 PHE HA H 3.81 0.01 1 1039 . 92 PHE CB C 39.8 0.15 1 1040 . 92 PHE HB2 H 3.44 0.01 2 1041 . 92 PHE HB3 H 2.79 0.01 2 1042 . 92 PHE HD1 H 6.98 0.01 1 1043 . 92 PHE HD2 H 6.98 0.01 1 1044 . 92 PHE HE1 H 7.14 0.01 1 1045 . 92 PHE HE2 H 7.14 0.01 1 1046 . 92 PHE C C 175.3 0.15 1 1047 . 93 GLU N N 115.3 0.15 1 1048 . 93 GLU H H 9.25 0.01 1 1049 . 93 GLU CA C 62.3 0.15 1 1050 . 93 GLU HA H 3.13 0.01 1 1051 . 93 GLU CB C 28.9 0.15 1 1052 . 93 GLU HB2 H 1.46 0.01 2 1053 . 93 GLU HB3 H 2.03 0.01 2 1054 . 93 GLU CG C 39.5 0.15 1 1055 . 93 GLU HG2 H 2.14 0.01 2 1056 . 93 GLU HG3 H 2.47 0.01 2 1057 . 93 GLU C C 176.9 0.15 1 1058 . 94 LYS N N 117.2 0.15 1 1059 . 94 LYS H H 6.79 0.01 1 1060 . 94 LYS CA C 60.3 0.15 1 1061 . 94 LYS HA H 3.26 0.01 1 1062 . 94 LYS CB C 32.6 0.15 1 1063 . 94 LYS HB2 H 0.32 0.01 2 1064 . 94 LYS HB3 H 1.33 0.01 2 1065 . 94 LYS CG C 26.4 0.15 1 1066 . 94 LYS HG2 H 0.21 0.01 2 1067 . 94 LYS HG3 H 0.84 0.01 2 1068 . 94 LYS CD C 29.3 0.15 1 1069 . 94 LYS HD2 H 0.47 0.01 2 1070 . 94 LYS HD3 H 1.08 0.01 2 1071 . 94 LYS CE C 42.3 0.15 1 1072 . 94 LYS HE2 H 2.23 0.01 2 1073 . 94 LYS HE3 H 2.30 0.01 2 1074 . 94 LYS C C 178.6 0.15 1 1075 . 95 GLU N N 121.6 0.15 1 1076 . 95 GLU H H 7.87 0.01 1 1077 . 95 GLU CA C 59.5 0.15 1 1078 . 95 GLU HA H 3.66 0.01 1 1079 . 95 GLU CB C 29.6 0.15 1 1080 . 95 GLU HB2 H 1.68 0.01 2 1081 . 95 GLU HB3 H 1.97 0.01 2 1082 . 95 GLU C C 177.6 0.15 1 1083 . 96 LEU N N 118.1 0.15 1 1084 . 96 LEU H H 8.33 0.01 1 1085 . 96 LEU CA C 58.0 0.15 1 1086 . 96 LEU HA H 3.69 0.01 1 1087 . 96 LEU CB C 41.1 0.15 1 1088 . 96 LEU HB2 H 0.61 0.01 2 1089 . 96 LEU HB3 H 1.38 0.01 2 1090 . 96 LEU CG C 27.4 0.15 1 1091 . 96 LEU HG H 1.30 0.01 1 1092 . 96 LEU HD1 H 0.79 0.01 1 1093 . 96 LEU HD2 H 0.84 0.01 1 1094 . 96 LEU CD1 C 24.4 0.15 1 1095 . 96 LEU CD2 C 27.8 0.15 1 1096 . 96 LEU C C 178.0 0.15 1 1097 . 97 LEU N N 116.8 0.15 1 1098 . 97 LEU H H 7.49 0.01 1 1099 . 97 LEU CA C 58.0 0.15 1 1100 . 97 LEU HA H 3.74 0.01 1 1101 . 97 LEU CB C 42.4 0.15 1 1102 . 97 LEU HB2 H 1.38 0.01 2 1103 . 97 LEU HB3 H 1.80 0.01 2 1104 . 97 LEU CG C 27.0 0.15 1 1105 . 97 LEU HG H 1.78 0.01 1 1106 . 97 LEU HD1 H 0.90 0.01 1 1107 . 97 LEU HD2 H 0.81 0.01 1 1108 . 97 LEU CD1 C 25.1 0.15 1 1109 . 97 LEU CD2 C 23.8 0.15 1 1110 . 97 LEU C C 178.1 0.15 1 1111 . 98 GLU N N 119.0 0.15 1 1112 . 98 GLU H H 8.20 0.01 1 1113 . 98 GLU CA C 60.9 0.15 1 1114 . 98 GLU HA H 3.64 0.01 1 1115 . 98 GLU CB C 29.0 0.15 1 1116 . 98 GLU HB2 H 2.02 0.01 1 1117 . 98 GLU HB3 H 2.02 0.01 1 1118 . 98 GLU CG C 36.7 0.15 1 1119 . 98 GLU HG2 H 2.21 0.01 1 1120 . 98 GLU HG3 H 2.21 0.01 1 1121 . 98 GLU C C 178.4 0.15 1 1122 . 99 VAL N N 117.2 0.15 1 1123 . 99 VAL H H 8.34 0.01 1 1124 . 99 VAL CA C 66.5 0.15 1 1125 . 99 VAL HA H 3.82 0.01 1 1126 . 99 VAL CB C 31.6 0.15 1 1127 . 99 VAL HB H 2.15 0.01 1 1128 . 99 VAL HG1 H 0.92 0.01 1 1129 . 99 VAL HG2 H 1.13 0.01 1 1130 . 99 VAL CG1 C 22.7 0.15 1 1131 . 99 VAL CG2 C 23.1 0.15 1 1132 . 99 VAL C C 178.7 0.15 1 1133 . 100 VAL N N 120.8 0.15 1 1134 . 100 VAL H H 8.03 0.01 1 1135 . 100 VAL CA C 68.0 0.15 1 1136 . 100 VAL HA H 3.50 0.01 1 1137 . 100 VAL CB C 31.6 0.15 1 1138 . 100 VAL HB H 2.04 0.01 1 1139 . 100 VAL HG1 H 0.82 0.01 1 1140 . 100 VAL HG2 H 0.98 0.01 1 1141 . 100 VAL CG1 C 22.2 0.15 1 1142 . 100 VAL CG2 C 24.4 0.15 1 1143 . 100 VAL C C 177.8 0.15 1 1144 . 101 ILE N N 120.8 0.15 1 1145 . 101 ILE H H 8.56 0.01 1 1146 . 101 ILE CA C 67.0 0.15 1 1147 . 101 ILE HA H 3.47 0.01 1 1148 . 101 ILE CB C 37.2 0.15 1 1149 . 101 ILE HB H 2.02 0.01 1 1150 . 101 ILE HG2 H 1.00 0.01 1 1151 . 101 ILE CG2 C 18.3 0.15 1 1152 . 101 ILE CG1 C 31.5 0.15 1 1153 . 101 ILE HG12 H 0.76 0.01 2 1154 . 101 ILE HG13 H 1.79 0.01 2 1155 . 101 ILE HD1 H 0.69 0.01 1 1156 . 101 ILE CD1 C 13.9 0.15 1 1157 . 101 ILE C C 177.3 0.15 1 1158 . 102 HIS N N 120.3 0.15 1 1159 . 102 HIS H H 9.17 0.01 1 1160 . 102 HIS CA C 60.7 0.15 1 1161 . 102 HIS HA H 4.05 0.01 1 1162 . 102 HIS CB C 28.6 0.15 1 1163 . 102 HIS HB2 H 3.21 0.01 1 1164 . 102 HIS HB3 H 3.53 0.01 1 1165 . 102 HIS HD2 H 6.92 0.01 1 1166 . 102 HIS C C 177.3 0.15 1 1167 . 103 GLY N N 106.9 0.15 1 1168 . 103 GLY H H 8.27 0.01 1 1169 . 103 GLY CA C 47.6 0.15 1 1170 . 103 GLY HA2 H 3.50 0.01 2 1171 . 103 GLY HA3 H 3.84 0.01 2 1172 . 103 GLY C C 175.3 0.15 1 1173 . 104 ILE N N 123.5 0.15 1 1174 . 104 ILE H H 8.40 0.01 1 1175 . 104 ILE CA C 67.0 0.15 1 1176 . 104 ILE HA H 3.36 0.01 1 1177 . 104 ILE CB C 38.1 0.15 1 1178 . 104 ILE HB H 1.93 0.01 1 1179 . 104 ILE HG2 H 0.68 0.01 1 1180 . 104 ILE CG2 C 17.7 0.15 1 1181 . 104 ILE CG1 C 29.4 0.15 1 1182 . 104 ILE HG12 H 0.47 0.01 1 1183 . 104 ILE HG13 H 1.93 0.01 1 1184 . 104 ILE HD1 H 0.65 0.01 1 1185 . 104 ILE CD1 C 14.6 0.15 1 1186 . 104 ILE C C 177.6 0.15 1 1187 . 105 LEU N N 118.6 0.15 1 1188 . 105 LEU H H 8.48 0.01 1 1189 . 105 LEU CA C 58.3 0.15 1 1190 . 105 LEU HA H 4.07 0.01 1 1191 . 105 LEU CB C 40.8 0.15 1 1192 . 105 LEU HB2 H 1.36 0.01 2 1193 . 105 LEU HB3 H 1.96 0.01 2 1194 . 105 LEU CG C 27.9 0.15 1 1195 . 105 LEU HG H 1.90 0.01 1 1196 . 105 LEU HD1 H 0.79 0.01 2 1197 . 105 LEU HD2 H 0.94 0.01 2 1198 . 105 LEU CD1 C 22.7 0.15 1 1199 . 105 LEU CD2 C 27.0 0.15 1 1200 . 105 LEU C C 179.5 0.15 1 1201 . 106 HIS N N 121.7 0.15 1 1202 . 106 HIS H H 8.76 0.01 1 1203 . 106 HIS CA C 60.0 0.15 1 1204 . 106 HIS HA H 4.40 0.01 1 1205 . 106 HIS CB C 30.6 0.15 1 1206 . 106 HIS HB2 H 3.03 0.01 2 1207 . 106 HIS HB3 H 3.32 0.01 2 1208 . 106 HIS HD2 H 7.01 0.01 1 1209 . 106 HIS C C 179.8 0.15 1 1210 . 107 LEU N N 121.3 0.15 1 1211 . 107 LEU H H 8.37 0.01 1 1212 . 107 LEU CA C 57.8 0.15 1 1213 . 107 LEU HA H 4.16 0.01 1 1214 . 107 LEU CB C 42.3 0.15 1 1215 . 107 LEU HB2 H 1.62 0.01 2 1216 . 107 LEU HB3 H 2.21 0.01 2 1217 . 107 LEU CG C 27.4 0.15 1 1218 . 107 LEU HG H 1.93 0.01 1 1219 . 107 LEU HD1 H 0.83 0.01 1 1220 . 107 LEU HD2 H 0.83 0.01 1 1221 . 107 LEU CD1 C 24.6 0.15 1 1222 . 107 LEU CD2 C 26.5 0.15 1 1223 . 107 LEU C C 178.1 0.15 1 1224 . 108 ALA N N 120.7 0.15 1 1225 . 108 ALA H H 8.18 0.01 1 1226 . 108 ALA CA C 53.6 0.15 1 1227 . 108 ALA HA H 4.17 0.01 1 1228 . 108 ALA HB H 1.60 0.01 1 1229 . 108 ALA CB C 19.8 0.15 1 1230 . 108 ALA C C 177.4 0.15 1 1231 . 109 GLY N N 104.5 0.15 1 1232 . 109 GLY H H 7.74 0.01 1 1233 . 109 GLY CA C 45.5 0.15 1 1234 . 109 GLY HA2 H 3.81 0.01 2 1235 . 109 GLY HA3 H 4.08 0.01 2 1236 . 109 GLY C C 175.1 0.15 1 1237 . 110 TYR N N 120.2 0.15 1 1238 . 110 TYR H H 7.72 0.01 1 1239 . 110 TYR CA C 59.8 0.15 1 1240 . 110 TYR HA H 4.40 0.01 1 1241 . 110 TYR CB C 38.3 0.15 1 1242 . 110 TYR HB2 H 2.78 0.01 2 1243 . 110 TYR HB3 H 3.04 0.01 2 1244 . 110 TYR HD1 H 7.25 0.01 1 1245 . 110 TYR HD2 H 7.25 0.01 1 1246 . 110 TYR HE1 H 6.82 0.01 1 1247 . 110 TYR HE2 H 6.82 0.01 1 1248 . 110 TYR C C 175.5 0.15 1 1249 . 111 ASP N N 120.1 0.15 1 1250 . 111 ASP H H 8.41 0.01 1 1251 . 111 ASP CA C 54.5 0.15 1 1252 . 111 ASP HA H 4.52 0.01 1 1253 . 111 ASP CB C 41.7 0.15 1 1254 . 111 ASP HB2 H 2.60 0.01 1 1255 . 111 ASP HB3 H 2.60 0.01 1 1256 . 112 HIS CA C 56.6 0.15 1 1257 . 112 HIS HA H 4.62 0.01 1 1258 . 112 HIS CB C 30.4 0.15 1 1259 . 112 HIS HB2 H 3.06 0.01 2 1260 . 112 HIS HB3 H 3.15 0.01 2 1261 . 112 HIS HD2 H 7.21 0.01 1 1262 . 112 HIS C C 175.2 0.15 1 1263 . 113 GLU N N 121.1 0.15 1 1264 . 113 GLU H H 8.54 0.01 1 1265 . 113 GLU CA C 57.8 0.15 1 1266 . 113 GLU HA H 4.18 0.01 1 1267 . 113 GLU CB C 30.1 0.15 1 1268 . 113 GLU HB2 H 1.90 0.01 2 1269 . 113 GLU HB3 H 2.05 0.01 2 1270 . 113 GLU CG C 36.6 0.15 1 1271 . 113 GLU HG2 H 2.05 0.01 2 1272 . 113 GLU HG3 H 2.12 0.01 2 1273 . 113 GLU C C 176.6 0.15 1 1274 . 114 PHE N N 118.9 0.15 1 1275 . 114 PHE H H 8.17 0.01 1 1276 . 114 PHE CA C 58.3 0.15 1 1277 . 114 PHE HA H 4.63 0.01 1 1278 . 114 PHE CB C 39.7 0.15 1 1279 . 114 PHE HB2 H 3.08 0.01 2 1280 . 114 PHE HB3 H 3.27 0.01 2 1281 . 114 PHE HD1 H 7.25 0.01 1 1282 . 114 PHE HD2 H 7.25 0.01 1 1283 . 114 PHE C C 176.1 0.15 1 1284 . 115 GLU N N 121.3 0.15 1 1285 . 115 GLU H H 8.36 0.01 1 1286 . 115 GLU CA C 57.7 0.15 1 1287 . 115 GLU HA H 4.27 0.01 1 1288 . 115 GLU CB C 30.6 0.15 1 1289 . 115 GLU HB2 H 2.07 0.01 1 1290 . 115 GLU HB3 H 2.07 0.01 1 1291 . 116 ASP C C 176.8 0.15 1 1292 . 117 LYS N N 120.9 0.15 1 1293 . 117 LYS H H 8.23 0.01 1 1294 . 117 LYS CA C 57.7 0.15 1 1295 . 117 LYS HA H 4.24 0.01 1 1296 . 117 LYS CB C 33.1 0.15 1 1297 . 117 LYS HB2 H 1.81 0.01 1 1298 . 117 LYS HB3 H 1.81 0.01 1 1299 . 117 LYS CG C 25.7 0.15 1 1300 . 117 LYS HG2 H 1.39 0.01 1 1301 . 117 LYS HG3 H 1.39 0.01 1 1302 . 117 LYS CD C 30.1 0.15 1 1303 . 117 LYS HD2 H 1.62 0.01 1 1304 . 117 LYS HD3 H 1.62 0.01 1 1305 . 117 LYS CE C 42.5 0.15 1 1306 . 117 LYS HE2 H 2.95 0.01 1 1307 . 117 LYS HE3 H 2.95 0.01 1 1308 . 117 LYS C C 176.9 0.15 1 1309 . 118 ASN N N 118.6 0.15 1 1310 . 118 ASN H H 8.41 0.01 1 1311 . 118 ASN CA C 54.1 0.15 1 1312 . 118 ASN HA H 4.85 0.01 1 1313 . 118 ASN CB C 39.4 0.15 1 1314 . 118 ASN HB2 H 2.87 0.01 2 1315 . 118 ASN HB3 H 2.94 0.01 2 1316 . 118 ASN ND2 N 114.0 0.15 1 1317 . 118 ASN HD21 H 7.72 0.01 1 1318 . 118 ASN HD22 H 6.98 0.01 1 1319 . 118 ASN C C 176.0 0.15 1 1320 . 119 SER N N 116.2 0.15 1 1321 . 119 SER H H 8.28 0.01 1 1322 . 119 SER CA C 59.3 0.15 1 1323 . 119 SER HA H 4.25 0.01 1 1324 . 119 SER CB C 64.3 0.15 1 1325 . 119 SER HB2 H 4.04 0.01 1 1326 . 119 SER HB3 H 4.04 0.01 1 1327 . 120 LYS CA C 59.6 0.15 1 1328 . 120 LYS HA H 4.32 0.01 1 1329 . 120 LYS CB C 32.8 0.15 1 1330 . 120 LYS C C 178.5 0.15 1 1331 . 121 GLU N N 119.8 0.15 1 1332 . 121 GLU H H 8.29 0.01 1 1333 . 121 GLU CA C 59.6 0.15 1 1334 . 121 GLU HA H 4.13 0.01 1 1335 . 121 GLU CB C 29.9 0.15 1 1336 . 121 GLU C C 178.8 0.15 1 1337 . 122 MET N N 119.3 0.15 1 1338 . 122 MET H H 8.16 0.01 1 1339 . 122 MET CA C 59.5 0.15 1 1340 . 122 MET HA H 3.71 0.01 1 1341 . 122 MET CB C 32.7 0.15 1 1342 . 122 MET HB2 H 1.92 0.01 2 1343 . 122 MET HB3 H 1.98 0.01 2 1344 . 122 MET HE H 1.68 0.01 1 1345 . 122 MET CE C 18.0 0.15 1 1346 . 122 MET C C 177.7 0.15 1 1347 . 123 PHE N N 118.5 0.15 1 1348 . 123 PHE H H 8.14 0.01 1 1349 . 123 PHE CA C 61.7 0.15 1 1350 . 123 PHE HA H 4.25 0.01 1 1351 . 123 PHE CB C 39.2 0.15 1 1352 . 123 PHE HB2 H 3.18 0.01 2 1353 . 123 PHE HB3 H 3.23 0.01 2 1354 . 123 PHE HD1 H 7.30 0.01 1 1355 . 123 PHE HD2 H 7.30 0.01 1 1356 . 123 PHE C C 178.1 0.15 1 1357 . 124 GLU N N 119.7 0.15 1 1358 . 124 GLU H H 8.25 0.01 1 1359 . 124 GLU CA C 59.8 0.15 1 1360 . 124 GLU HA H 3.98 0.01 1 1361 . 124 GLU CB C 30.0 0.15 1 1362 . 124 GLU HB2 H 2.07 0.01 2 1363 . 124 GLU HB3 H 2.18 0.01 2 1364 . 124 GLU CG C 36.6 0.15 1 1365 . 124 GLU HG2 H 2.47 0.01 1 1366 . 124 GLU HG3 H 2.47 0.01 1 1367 . 124 GLU C C 179.6 0.15 1 1368 . 125 LYS N N 120.3 0.15 1 1369 . 125 LYS H H 8.06 0.01 1 1370 . 125 LYS CA C 59.9 0.15 1 1371 . 125 LYS HA H 3.78 0.01 1 1372 . 125 LYS CB C 33.4 0.15 1 1373 . 125 LYS HB2 H 1.62 0.01 2 1374 . 125 LYS HB3 H 1.86 0.01 2 1375 . 125 LYS CG C 26.5 0.15 1 1376 . 125 LYS HG2 H 1.25 0.01 2 1377 . 125 LYS HG3 H 1.53 0.01 2 1378 . 125 LYS CD C 30.1 0.15 1 1379 . 125 LYS HD2 H 1.50 0.01 2 1380 . 125 LYS HD3 H 1.68 0.01 2 1381 . 125 LYS CE C 42.6 0.15 1 1382 . 125 LYS HE2 H 2.97 0.01 1 1383 . 125 LYS HE3 H 2.97 0.01 1 1384 . 125 LYS C C 177.6 0.15 1 1385 . 126 GLN N N 119.3 0.15 1 1386 . 126 GLN H H 8.43 0.01 1 1387 . 126 GLN CA C 60.6 0.15 1 1388 . 126 GLN HA H 4.21 0.01 1 1389 . 126 GLN CB C 29.6 0.15 1 1390 . 126 GLN CG C 34.5 0.15 1 1391 . 126 GLN HG2 H 2.04 0.01 1 1392 . 126 GLN HG3 H 2.36 0.01 1 1393 . 126 GLN HE21 H 7.18 0.01 2 1394 . 126 GLN HE22 H 8.57 0.01 2 1395 . 126 GLN C C 177.1 0.15 1 1396 . 127 LYS N N 116.8 0.15 1 1397 . 127 LYS H H 7.91 0.01 1 1398 . 127 LYS CA C 59.3 0.15 1 1399 . 127 LYS HA H 3.93 0.01 1 1400 . 127 LYS CB C 32.4 0.15 1 1401 . 127 LYS HB2 H 1.79 0.01 1 1402 . 127 LYS HB3 H 1.79 0.01 1 1403 . 127 LYS CG C 25.1 0.15 1 1404 . 127 LYS HG2 H 1.30 0.01 2 1405 . 127 LYS HG3 H 1.37 0.01 2 1406 . 127 LYS CD C 29.7 0.15 1 1407 . 127 LYS CE C 42.9 0.15 1 1408 . 127 LYS C C 179.0 0.15 1 1409 . 128 LYS N N 119.7 0.15 1 1410 . 128 LYS H H 7.75 0.01 1 1411 . 128 LYS CA C 59.7 0.15 1 1412 . 128 LYS HA H 4.05 0.01 1 1413 . 128 LYS CB C 32.3 0.15 1 1414 . 128 LYS HB2 H 1.73 0.01 2 1415 . 128 LYS HB3 H 1.77 0.01 2 1416 . 128 LYS CG C 25.1 0.15 1 1417 . 128 LYS HG2 H 1.25 0.01 2 1418 . 128 LYS HG3 H 1.46 0.01 2 1419 . 128 LYS CD C 29.8 0.15 1 1420 . 128 LYS CE C 42.7 0.15 1 1421 . 128 LYS C C 179.9 0.15 1 1422 . 129 TYR N N 118.1 0.15 1 1423 . 129 TYR H H 8.52 0.01 1 1424 . 129 TYR CA C 60.8 0.15 1 1425 . 129 TYR HA H 4.65 0.01 1 1426 . 129 TYR CB C 39.1 0.15 1 1427 . 129 TYR HB2 H 3.07 0.01 1 1428 . 129 TYR HB3 H 3.12 0.01 1 1429 . 129 TYR HD1 H 7.04 0.01 1 1430 . 129 TYR HD2 H 7.04 0.01 1 1431 . 129 TYR C C 178.7 0.15 1 1432 . 130 VAL N N 119.3 0.15 1 1433 . 130 VAL H H 8.68 0.01 1 1434 . 130 VAL CA C 67.9 0.15 1 1435 . 130 VAL HA H 3.46 0.01 1 1436 . 130 VAL CB C 31.9 0.15 1 1437 . 130 VAL HB H 2.21 0.01 1 1438 . 130 VAL HG1 H 0.89 0.01 1 1439 . 130 VAL HG2 H 1.04 0.01 1 1440 . 130 VAL CG1 C 21.7 0.15 1 1441 . 130 VAL CG2 C 24.8 0.15 1 1442 . 130 VAL C C 177.6 0.15 1 1443 . 131 GLU N N 117.9 0.15 1 1444 . 131 GLU H H 8.12 0.01 1 1445 . 131 GLU CA C 60.1 0.15 1 1446 . 131 GLU HA H 4.21 0.01 1 1447 . 131 GLU CB C 29.6 0.15 1 1448 . 131 GLU HB2 H 2.13 0.01 2 1449 . 131 GLU HB3 H 2.22 0.01 2 1450 . 131 GLU CG C 36.9 0.15 1 1451 . 131 GLU HG2 H 2.50 0.01 1 1452 . 131 GLU HG3 H 2.50 0.01 1 1453 . 131 GLU C C 180.6 0.15 1 1454 . 132 GLU N N 120.3 0.15 1 1455 . 132 GLU H H 8.28 0.01 1 1456 . 132 GLU CA C 59.9 0.15 1 1457 . 132 GLU HA H 4.24 0.01 1 1458 . 132 GLU CB C 30.7 0.15 1 1459 . 132 GLU HB2 H 2.28 0.01 2 1460 . 132 GLU HB3 H 2.41 0.01 2 1461 . 132 GLU CG C 36.9 0.15 1 1462 . 132 GLU HG2 H 2.57 0.01 1 1463 . 132 GLU HG3 H 2.57 0.01 1 1464 . 132 GLU C C 179.6 0.15 1 1465 . 133 VAL N N 119.9 0.15 1 1466 . 133 VAL H H 8.76 0.01 1 1467 . 133 VAL CA C 67.5 0.15 1 1468 . 133 VAL HA H 3.84 0.01 1 1469 . 133 VAL CB C 32.6 0.15 1 1470 . 133 VAL HB H 2.18 0.01 1 1471 . 133 VAL HG1 H 1.07 0.01 1 1472 . 133 VAL HG2 H 1.19 0.01 1 1473 . 133 VAL CG1 C 24.4 0.15 1 1474 . 133 VAL CG2 C 24.1 0.15 1 1475 . 133 VAL C C 178.0 0.15 1 1476 . 134 TRP N N 121.1 0.15 1 1477 . 134 TRP H H 9.40 0.01 1 1478 . 134 TRP CA C 60.6 0.15 1 1479 . 134 TRP HA H 4.52 0.01 1 1480 . 134 TRP CB C 30.1 0.15 1 1481 . 134 TRP HB2 H 3.25 0.01 2 1482 . 134 TRP HB3 H 3.51 0.01 2 1483 . 134 TRP CD1 C 125.9 0.15 1 1484 . 134 TRP CE3 C 120.0 0.15 1 1485 . 134 TRP NE1 N 129.2 0.15 1 1486 . 134 TRP HD1 H 7.12 0.01 1 1487 . 134 TRP HE3 H 7.42 0.01 1 1488 . 134 TRP CZ3 C 122.3 0.15 1 1489 . 134 TRP CZ2 C 114.9 0.15 1 1490 . 134 TRP HE1 H 10.43 0.01 1 1491 . 134 TRP HZ3 H 6.83 0.01 1 1492 . 134 TRP CH2 C 124.9 0.15 1 1493 . 134 TRP HZ2 H 7.65 0.01 1 1494 . 134 TRP HH2 H 7.30 0.01 1 1495 . 134 TRP C C 177.8 0.15 1 1496 . 135 GLY N N 104.9 0.15 1 1497 . 135 GLY H H 8.22 0.01 1 1498 . 135 GLY CA C 47.5 0.15 1 1499 . 135 GLY HA2 H 3.67 0.01 2 1500 . 135 GLY HA3 H 4.08 0.01 2 1501 . 135 GLY C C 176.7 0.15 1 1502 . 136 GLU N N 122.3 0.15 1 1503 . 136 GLU H H 7.65 0.01 1 1504 . 136 GLU CA C 59.3 0.15 1 1505 . 136 GLU HA H 4.21 0.01 1 1506 . 136 GLU CB C 29.5 0.15 1 1507 . 136 GLU HB2 H 2.27 0.01 1 1508 . 136 GLU HB3 H 2.27 0.01 1 1509 . 136 GLU CG C 36.5 0.15 1 1510 . 136 GLU HG2 H 2.37 0.01 1 1511 . 136 GLU HG3 H 2.37 0.01 1 1512 . 136 GLU C C 178.6 0.15 1 1513 . 137 TRP N N 121.6 0.15 1 1514 . 137 TRP H H 8.11 0.01 1 1515 . 137 TRP CA C 61.4 0.15 1 1516 . 137 TRP HA H 4.40 0.01 1 1517 . 137 TRP CB C 29.5 0.15 1 1518 . 137 TRP HB2 H 3.29 0.01 1 1519 . 137 TRP HB3 H 3.29 0.01 1 1520 . 137 TRP CD1 C 126.9 0.15 1 1521 . 137 TRP CE3 C 120.6 0.15 1 1522 . 137 TRP NE1 N 129.8 0.15 1 1523 . 137 TRP HD1 H 6.72 0.01 1 1524 . 137 TRP HE3 H 7.30 0.01 1 1525 . 137 TRP CZ3 C 121.5 0.15 1 1526 . 137 TRP CZ2 C 114.6 0.15 1 1527 . 137 TRP HE1 H 10.19 0.01 1 1528 . 137 TRP HZ3 H 7.01 0.01 1 1529 . 137 TRP CH2 C 124.1 0.15 1 1530 . 137 TRP HZ2 H 7.30 0.01 1 1531 . 137 TRP HH2 H 7.09 0.01 1 1532 . 137 TRP C C 178.7 0.15 1 1533 . 138 ARG N N 118.6 0.15 1 1534 . 138 ARG H H 8.59 0.01 1 1535 . 138 ARG CA C 58.3 0.15 1 1536 . 138 ARG HA H 3.46 0.01 1 1537 . 138 ARG CB C 29.5 0.15 1 1538 . 138 ARG HB2 H 1.31 0.01 2 1539 . 138 ARG HB3 H 1.49 0.01 2 1540 . 138 ARG CG C 26.5 0.15 1 1541 . 138 ARG HG2 H 1.17 0.01 1 1542 . 138 ARG HG3 H 1.17 0.01 1 1543 . 138 ARG CD C 43.4 0.15 1 1544 . 138 ARG HD2 H 2.85 0.01 1 1545 . 138 ARG HD3 H 2.85 0.01 1 1546 . 138 ARG C C 178.3 0.15 1 1547 . 139 SER N N 114.3 0.15 1 1548 . 139 SER H H 7.74 0.01 1 1549 . 139 SER CA C 60.9 0.15 1 1550 . 139 SER HA H 4.17 0.01 1 1551 . 139 SER CB C 63.9 0.15 1 1552 . 139 SER HB2 H 3.90 0.01 1 1553 . 139 SER HB3 H 3.90 0.01 1 1554 . 139 SER C C 175.1 0.15 1 1555 . 140 ASN N N 118.1 0.15 1 1556 . 140 ASN H H 7.57 0.01 1 1557 . 140 ASN CA C 53.7 0.15 1 1558 . 140 ASN HA H 4.70 0.01 1 1559 . 140 ASN CB C 39.8 0.15 1 1560 . 140 ASN HB2 H 2.57 0.01 1 1561 . 140 ASN HB3 H 2.57 0.01 1 1562 . 140 ASN ND2 N 114.0 0.15 1 1563 . 140 ASN HD21 H 7.57 0.01 1 1564 . 140 ASN HD22 H 6.95 0.01 1 1565 . 141 PRO CD C 50.7 0.15 1 1566 . 141 PRO CA C 64.0 0.15 1 1567 . 141 PRO HA H 4.88 0.01 1 1568 . 141 PRO CB C 34.8 0.15 1 1569 . 141 PRO HB2 H 2.20 0.01 2 1570 . 141 PRO HB3 H 2.39 0.01 2 1571 . 141 PRO CG C 25.1 0.15 1 1572 . 141 PRO HG2 H 1.90 0.01 2 1573 . 141 PRO HG3 H 2.00 0.01 2 1574 . 141 PRO HD2 H 3.55 0.01 2 1575 . 141 PRO HD3 H 3.64 0.01 2 1576 . 141 PRO C C 174.3 0.15 1 1577 . 142 SER N N 111.3 0.15 1 1578 . 142 SER H H 8.55 0.01 1 1579 . 142 SER CA C 59.3 0.15 1 1580 . 142 SER HA H 4.50 0.01 1 1581 . 142 SER CB C 64.4 0.15 1 1582 . 142 SER HB2 H 3.93 0.01 1 1583 . 142 SER HB3 H 3.93 0.01 1 1584 . 142 SER C C 174.8 0.15 1 1585 . 143 GLU N N 122.9 0.15 1 1586 . 143 GLU H H 8.64 0.01 1 1587 . 143 GLU CA C 57.3 0.15 1 1588 . 143 GLU HA H 4.36 0.01 1 1589 . 143 GLU CB C 30.6 0.15 1 1590 . 143 GLU HB2 H 1.96 0.01 2 1591 . 143 GLU HB3 H 2.14 0.01 2 1592 . 143 GLU CG C 36.7 0.15 1 1593 . 143 GLU HG2 H 2.31 0.01 1 1594 . 143 GLU HG3 H 2.31 0.01 1 1595 . 143 GLU C C 176.4 0.15 1 1596 . 144 ASP N N 121.3 0.15 1 1597 . 144 ASP H H 8.33 0.01 1 1598 . 144 ASP CA C 55.2 0.15 1 1599 . 144 ASP HA H 4.64 0.01 1 1600 . 144 ASP CB C 41.4 0.15 1 1601 . 144 ASP HB2 H 2.65 0.01 2 1602 . 144 ASP HB3 H 2.76 0.01 2 1603 . 144 ASP C C 176.3 0.15 1 1604 . 145 SER N N 116.1 0.15 1 1605 . 145 SER H H 8.18 0.01 1 1606 . 145 SER CA C 58.8 0.15 1 1607 . 145 SER HA H 4.45 0.01 1 1608 . 145 SER CB C 64.3 0.15 1 1609 . 145 SER HB2 H 3.89 0.01 1 1610 . 145 SER HB3 H 3.89 0.01 1 1611 . 145 SER C C 174.1 0.15 1 1612 . 146 ASP N N 123.9 0.15 1 1613 . 146 ASP H H 8.37 0.01 1 1614 . 146 ASP CA C 52.4 0.15 1 1615 . 146 ASP HA H 4.92 0.01 1 1616 . 146 ASP CB C 41.8 0.15 1 1617 . 146 ASP HB2 H 2.63 0.01 2 1618 . 146 ASP HB3 H 2.81 0.01 2 1619 . 147 PRO CD C 51.3 0.15 1 1620 . 147 PRO CA C 64.4 0.15 1 1621 . 147 PRO HA H 4.45 0.01 1 1622 . 147 PRO CB C 32.6 0.15 1 1623 . 147 PRO HB2 H 2.06 0.01 2 1624 . 147 PRO HB3 H 2.34 0.01 2 1625 . 147 PRO CG C 27.6 0.15 1 1626 . 147 PRO HG2 H 2.07 0.01 1 1627 . 147 PRO HG3 H 2.07 0.01 1 1628 . 147 PRO HD2 H 3.86 0.01 2 1629 . 147 PRO HD3 H 3.91 0.01 2 1630 . 147 PRO C C 177.8 0.15 1 1631 . 148 GLY N N 108.6 0.15 1 1632 . 148 GLY H H 8.61 0.01 1 1633 . 148 GLY CA C 45.6 0.15 1 1634 . 148 GLY HA2 H 3.91 0.01 2 1635 . 148 GLY HA3 H 4.03 0.01 2 1636 . 148 GLY C C 174.2 0.15 1 1637 . 149 LYS N N 121.5 0.15 1 1638 . 149 LYS H H 7.93 0.01 1 1639 . 149 LYS CA C 56.7 0.15 1 1640 . 149 LYS HA H 4.39 0.01 1 1641 . 149 LYS CB C 33.7 0.15 1 1642 . 149 LYS HB2 H 1.80 0.01 2 1643 . 149 LYS HB3 H 1.95 0.01 2 1644 . 149 LYS CG C 25.2 0.15 1 1645 . 149 LYS HG2 H 1.47 0.01 1 1646 . 149 LYS HG3 H 1.47 0.01 1 1647 . 149 LYS CD C 29.5 0.15 1 1648 . 149 LYS HD2 H 1.74 0.01 1 1649 . 149 LYS HD3 H 1.74 0.01 1 1650 . 149 LYS CE C 42.4 0.15 1 1651 . 149 LYS HE2 H 3.03 0.01 1 1652 . 149 LYS HE3 H 3.03 0.01 1 1653 . 149 LYS C C 175.8 0.15 1 1654 . 150 ARG N N 128.1 0.15 1 1655 . 150 ARG H H 7.96 0.01 1 1656 . 150 ARG CA C 57.8 0.15 1 1657 . 150 ARG HA H 4.23 0.01 1 1658 . 150 ARG CB C 32.1 0.15 1 1659 . 150 ARG HB2 H 1.76 0.01 2 1660 . 150 ARG HB3 H 1.91 0.01 2 1661 . 150 ARG CG C 28.0 0.15 1 1662 . 150 ARG HG2 H 1.64 0.01 1 1663 . 150 ARG HG3 H 1.64 0.01 1 1664 . 150 ARG CD C 43.9 0.15 1 1665 . 150 ARG HD2 H 3.22 0.01 1 1666 . 150 ARG HD3 H 3.22 0.01 1 stop_ save_