data_6081 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N chemical shift assignment of fly troponin C ; _BMRB_accession_number 6081 _BMRB_flat_file_name bmr6081.str _Entry_type original _Submission_date 2004-01-20 _Accession_date 2004-01-20 _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 'De Nicola' 'Gian Felice' . . 2 Biekofsky Rolf . . 3 Agianian Bogos . . 4 Bullard Belinda . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 743 "13C chemical shifts" 590 "15N chemical shifts" 171 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-06-28 update BMRB 'citation updated' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 15N and 13C Resonances of Holo Isoform 4 of Lethocerus Indicus Troponin C ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15213469 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 'De Nicola' 'Gian Felice' . . 2 Biekofsky Rolf . . 3 Kelly Geoff . . 4 Agianian Bogos . . 5 Qiu Feng . . 6 Bullard Belinda . . 7 Pastore Annalisa . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 461 _Page_last 462 _Year 2004 _Details . loop_ _Keyword 'Trononin C' muscle EF-hands calcium Lethocerus stop_ save_ ####################################### # Cited references within the entry # ####################################### save_citation_1 _Saveframe_category citation _Citation_full ; Qiu F, Lakey A, Agianian B, Hutchings A, Butcher GW, Labeit S, Leonard K, Bullard B. Troponin C in different insect muscle types: identification of two isoforms in Lethocerus, Drosophila and Anopheles that are specific to asynchronous flight muscle in the adult insect. Biochem J. 2003 May 1; 371(Pt 3): 811-21. ; _Citation_title 'Troponin C in different insect muscle types: identification of two isoforms in Lethocerus, Drosophila and Anopheles that are specific to asynchronous flight muscle in the adult insect.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 12558500 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Qiu Feng . . 2 Lakey Anne . . 3 Agianian Bogos . . 4 Hutchings Amanda . . 5 Butcher 'Geoffrey W' W. . 6 Labeit Siegfried . . 7 Leonard Kevin . . 8 Bullard Belinda . . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_name_full 'The Biochemical journal' _Journal_volume 371 _Journal_issue 'Pt 3' _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 811 _Page_last 821 _Year 2003 _Details ; The indirect flight muscles (IFMs) of Lethocerus (giant water bug) and Drosophila (fruitfly) are asynchronous: oscillatory contractions are produced by periodic stretches in the presence of a Ca(2+) concentration that does not fully activate the muscle. The troponin complex on thin filaments regulates contraction in striated muscle. The complex in IFM has subunits that are specific to this muscle type, and stretch activation may act through troponin. Lethocerus and Drosophila have an unusual isoform of the Ca(2+)-binding subunit of troponin, troponin C (TnC), with a single Ca(2+)-binding site near the C-terminus (domain IV); this isoform is only in IFMs, together with a minor isoform with an additional Ca(2+)-binding site in the N-terminal region (domain II). Lethocerus has another TnC isoform in leg muscle which also has two Ca(2+)-binding sites. Ca(2+) binds more strongly to domain IV than to domain II in two-site isoforms. There are four isoforms in Drosophila and Anopheles (malarial mosquito), three of which are also in adult Lethocerus. A larval isoform has not been identified in Lethocerus. Different TnC isoforms are expressed in the embryonic, larval, pupal and adult stages of Drosophila; the expression of the two IFM isoforms is increased in the pupal stage. Immunoelectron microscopy shows the distribution of the major IFM isoform with one Ca(2+)-binding site is uniform along Lethocerus thin filaments. We suggest that initial activation of IFM is by Ca(2+) binding to troponin with the two-site TnC, and full activation is through the action of stretch on the complex with the one-site isoform. ; save_ ################################## # Molecular system description # ################################## save_system_TnC _Saveframe_category molecular_system _Mol_system_name 'troponin C' _Abbreviation_common TnC _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TnC monomer' $TnC_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' loop_ _Biological_function 'muscle contraction' 'calcium binding' 'asynchronous oscillatory contraction of fly wings' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TnC_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Troponin C' _Abbreviation_common TnC _Molecular_mass 17577.22 _Mol_thiol_state 'not present' _Details ; This is the theoretical mass of the sequence without the two additional residues (GA) added N-terminally for purification purposes. ; ############################## # Polymer residue sequence # ############################## _Residue_count 160 _Mol_residue_sequence ; GAMGDVSKLSSNQVKLLETA FRDFETPEGSGRVSTDQIGI ILEVLGIQQTKSTIRQLIDE FDPFGNGDIDFDSFKIIGAR FLGEEVNPEQMQQELREAFR LYDKEGNGYISTDVMREILA ELDETLSSEDLDAMIDEIDA DGSGTVDFEEFMGVMTGGDE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 ALA 3 1 MET 4 2 GLY 5 3 ASP 6 4 VAL 7 5 SER 8 6 LYS 9 7 LEU 10 8 SER 11 9 SER 12 10 ASN 13 11 GLN 14 12 VAL 15 13 LYS 16 14 LEU 17 15 LEU 18 16 GLU 19 17 THR 20 18 ALA 21 19 PHE 22 20 ARG 23 21 ASP 24 22 PHE 25 23 GLU 26 24 THR 27 25 PRO 28 26 GLU 29 27 GLY 30 28 SER 31 29 GLY 32 30 ARG 33 31 VAL 34 32 SER 35 33 THR 36 34 ASP 37 35 GLN 38 36 ILE 39 37 GLY 40 38 ILE 41 39 ILE 42 40 LEU 43 41 GLU 44 42 VAL 45 43 LEU 46 44 GLY 47 45 ILE 48 46 GLN 49 47 GLN 50 48 THR 51 49 LYS 52 50 SER 53 51 THR 54 52 ILE 55 53 ARG 56 54 GLN 57 55 LEU 58 56 ILE 59 57 ASP 60 58 GLU 61 59 PHE 62 60 ASP 63 61 PRO 64 62 PHE 65 63 GLY 66 64 ASN 67 65 GLY 68 66 ASP 69 67 ILE 70 68 ASP 71 69 PHE 72 70 ASP 73 71 SER 74 72 PHE 75 73 LYS 76 74 ILE 77 75 ILE 78 76 GLY 79 77 ALA 80 78 ARG 81 79 PHE 82 80 LEU 83 81 GLY 84 82 GLU 85 83 GLU 86 84 VAL 87 85 ASN 88 86 PRO 89 87 GLU 90 88 GLN 91 89 MET 92 90 GLN 93 91 GLN 94 92 GLU 95 93 LEU 96 94 ARG 97 95 GLU 98 96 ALA 99 97 PHE 100 98 ARG 101 99 LEU 102 100 TYR 103 101 ASP 104 102 LYS 105 103 GLU 106 104 GLY 107 105 ASN 108 106 GLY 109 107 TYR 110 108 ILE 111 109 SER 112 110 THR 113 111 ASP 114 112 VAL 115 113 MET 116 114 ARG 117 115 GLU 118 116 ILE 119 117 LEU 120 118 ALA 121 119 GLU 122 120 LEU 123 121 ASP 124 122 GLU 125 123 THR 126 124 LEU 127 125 SER 128 126 SER 129 127 GLU 130 128 ASP 131 129 LEU 132 130 ASP 133 131 ALA 134 132 MET 135 133 ILE 136 134 ASP 137 135 GLU 138 136 ILE 139 137 ASP 140 138 ALA 141 139 ASP 142 140 GLY 143 141 SER 144 142 GLY 145 143 THR 146 144 VAL 147 145 ASP 148 146 PHE 149 147 GLU 150 148 GLU 151 149 PHE 152 150 MET 153 151 GLY 154 152 VAL 155 153 MET 156 154 THR 157 155 GLY 158 156 GLY 159 157 ASP 160 158 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2JNF "Solution Structure Of Fly Troponin C, Isoform F1" 98.75 158 100.00 100.00 2.30e-105 EMBL CAD55595 "troponin C [Lethocerus indicus]" 98.75 158 100.00 100.00 2.30e-105 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TnC_monomer 'Lethocerus indicus' 212017 Eukaryota Metazoa Lethocerus indicus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Details $TnC_monomer 'recombinant technology' . . . . pet24d(M11) . ; pet24d(M11) vector containing an N-terminal hexahistidine tag followed by a TEV protease cleavage site. ; stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TnC_monomer 0.9 mM [U-15N] KCl 100 mM . CaCl(2) 9 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $TnC_monomer 0.97 mM '[U-13C; U-15N]' KCl 100 mM . CaCl(2) 9 mM . stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Task 'peak assignments' stop_ _Details . save_ save_NMR_PIPE _Saveframe_category software _Name 'NMR PIPE' _Version . loop_ _Task 'spectra processing' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UNITY _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _Sample_label . save_ save_15N_NOESY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY-HSQC' _Sample_label . save_ save_15N_TOCSY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N TOCSY-HSQC' _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_CBCANH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_CBCACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_CCONH_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _Sample_label . save_ save_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_HCCONH_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _Sample_label . save_ save_13C-HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '15N NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '15N TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name CCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name HCCONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name 13C-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_experimental_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.02 n/a temperature 298 1 K 'ionic strength' 0.125 0.02 M pressure 997 10 mbar 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 . . . 1.0 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_SHIFT_SET_1 _Saveframe_category assigned_chemical_shifts _Details ; Some unassigned signals were observed that may correspond to some degradation species. ; loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $experimental_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'TnC monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 3 MET N N 118.986 0.000 1 2 . 3 MET H H 8.605 0.000 1 3 . 3 MET CA C 55.958 0.000 1 4 . 3 MET HA H 4.399 0.015 1 5 . 3 MET CB C 32.243 0.000 1 6 . 3 MET HB2 H 2.101 0.021 1 7 . 3 MET HG2 H 2.577 0.000 1 8 . 3 MET C C 176.837 0.000 1 9 . 4 GLY N N 108.732 0.000 1 10 . 4 GLY H H 8.168 0.000 1 11 . 4 GLY CA C 45.695 0.000 1 12 . 4 GLY HA2 H 3.973 0.002 1 13 . 4 GLY HA3 H 3.673 0.001 1 14 . 4 GLY C C 173.181 0.000 1 15 . 5 ASP N N 120.542 0.000 1 16 . 5 ASP H H 7.907 0.000 1 17 . 5 ASP CA C 53.642 0.000 1 18 . 5 ASP HA H 4.667 0.004 1 19 . 5 ASP CB C 41.844 0.000 1 20 . 5 ASP HB2 H 2.725 0.000 1 21 . 5 ASP HB3 H 2.586 0.001 1 22 . 5 ASP C C 176.944 0.000 1 23 . 6 VAL N N 122.019 0.000 1 24 . 6 VAL H H 8.418 0.000 1 25 . 6 VAL CA C 63.726 0.000 1 26 . 6 VAL HA H 3.788 0.002 1 27 . 6 VAL CB C 32.172 0.000 1 28 . 6 VAL HB H 2.069 0.003 1 29 . 6 VAL CG1 C 21.313 0.000 1 30 . 6 VAL CG2 C 21.313 0.000 1 31 . 6 VAL HG2 H 0.891 0.004 1 32 . 6 VAL C C 177.051 0.000 1 33 . 7 SER N N 117.802 0.000 1 34 . 7 SER H H 8.429 0.000 1 35 . 7 SER CA C 60.340 0.000 1 36 . 7 SER HA H 4.287 0.002 1 37 . 7 SER CB C 63.558 0.000 1 38 . 7 SER HB2 H 3.901 0.000 1 39 . 7 SER C C 174.804 0.000 1 40 . 8 LYS N N 120.501 0.000 1 41 . 8 LYS H H 7.782 0.000 1 42 . 8 LYS CA C 55.863 0.000 1 43 . 8 LYS HA H 4.326 0.006 1 44 . 8 LYS CB C 32.384 0.000 1 45 . 8 LYS HB2 H 1.988 0.005 1 46 . 8 LYS HB3 H 1.807 0.003 1 47 . 8 LYS CG C 21.311 0.000 1 48 . 8 LYS HG2 H 1.371 0.008 1 49 . 8 LYS CD C 29.763 0.000 1 50 . 8 LYS HD2 H 1.658 0.007 1 51 . 8 LYS HE2 H 2.950 0.000 1 52 . 8 LYS C C 176.906 0.000 1 53 . 9 LEU N N 120.079 0.000 1 54 . 9 LEU H H 7.295 0.000 1 55 . 9 LEU CA C 54.632 0.000 1 56 . 9 LEU HA H 4.475 0.007 1 57 . 9 LEU CB C 43.609 0.000 1 58 . 9 LEU HB2 H 1.741 0.011 1 59 . 9 LEU HB3 H 1.377 0.013 1 60 . 9 LEU CG C 26.800 0.000 1 61 . 9 LEU HG H 1.786 0.020 1 62 . 9 LEU HD1 H 0.784 0.009 1 63 . 9 LEU HD2 H 0.686 0.002 1 64 . 9 LEU C C 177.550 0.000 1 65 . 10 SER N N 120.678 0.000 1 66 . 10 SER H H 9.228 0.000 1 67 . 10 SER CA C 56.876 0.000 1 68 . 10 SER HA H 4.600 0.000 1 69 . 10 SER CB C 65.635 0.000 1 70 . 10 SER HB2 H 4.460 0.000 1 71 . 10 SER C C 175.352 0.000 1 72 . 11 SER N N 116.966 0.000 1 73 . 11 SER H H 9.145 0.000 1 74 . 11 SER HA H 4.150 0.000 1 75 . 11 SER HB2 H 3.960 0.000 1 76 . 12 ASN CA C 56.310 0.000 1 77 . 12 ASN CB C 38.590 0.000 1 78 . 12 ASN ND2 N 114.042 0.002 1 79 . 12 ASN HD21 H 7.965 0.000 1 80 . 12 ASN HD22 H 7.015 0.000 1 81 . 12 ASN C C 177.997 0.000 1 82 . 13 GLN N N 120.702 0.000 1 83 . 13 GLN H H 7.990 0.000 1 84 . 13 GLN CA C 59.490 0.000 1 85 . 13 GLN HA H 4.155 0.006 1 86 . 13 GLN CB C 29.441 0.000 1 87 . 13 GLN HB2 H 2.217 0.060 1 88 . 13 GLN CG C 36.097 0.000 1 89 . 13 GLN HG2 H 2.507 0.005 1 90 . 13 GLN C C 178.228 0.000 1 91 . 14 VAL N N 119.358 0.000 1 92 . 14 VAL H H 8.442 0.000 1 93 . 14 VAL CA C 68.489 0.000 1 94 . 14 VAL HA H 3.543 0.005 1 95 . 14 VAL CB C 31.456 0.000 1 96 . 14 VAL HB H 2.183 0.007 1 97 . 14 VAL HG1 H 1.057 0.003 1 98 . 14 VAL HG2 H 1.032 0.003 1 99 . 14 VAL CG1 C 21.848 0.000 1 100 . 14 VAL CG2 C 24.065 0.000 1 101 . 14 VAL C C 177.702 0.000 1 102 . 15 LYS N N 119.372 0.000 1 103 . 15 LYS H H 7.781 0.000 1 104 . 15 LYS CA C 59.369 0.000 1 105 . 15 LYS HA H 4.242 0.007 1 106 . 15 LYS CB C 31.664 0.000 1 107 . 15 LYS HB2 H 1.986 0.005 1 108 . 15 LYS CG C 24.612 0.000 1 109 . 15 LYS HG2 H 1.509 0.005 1 110 . 15 LYS CD C 28.987 0.000 1 111 . 15 LYS HD2 H 1.728 0.004 1 112 . 15 LYS HE2 H 3.014 0.030 1 113 . 15 LYS C C 179.566 0.000 1 114 . 16 LEU N N 122.469 0.000 1 115 . 16 LEU H H 7.992 0.000 1 116 . 16 LEU CA C 58.665 0.000 1 117 . 16 LEU CB C 41.947 0.000 1 118 . 16 LEU C C 176.700 0.000 1 119 . 17 LEU N N 118.910 0.000 1 120 . 17 LEU H H 8.182 0.000 1 121 . 17 LEU CA C 58.625 0.055 1 122 . 17 LEU HA H 4.270 0.010 1 123 . 17 LEU CB C 41.849 0.097 1 124 . 17 LEU HB2 H 2.368 0.005 1 125 . 17 LEU HB3 H 1.599 0.002 1 126 . 17 LEU HG H 2.069 0.007 1 127 . 17 LEU HD1 H 0.756 0.003 1 128 . 17 LEU HD2 H 0.730 0.003 1 129 . 17 LEU CD1 C 27.894 0.000 1 130 . 17 LEU C C 178.728 0.000 1 131 . 18 GLU N N 119.928 0.000 1 132 . 18 GLU H H 9.091 0.000 1 133 . 18 GLU CA C 60.144 0.000 1 134 . 18 GLU HA H 3.743 0.007 1 135 . 18 GLU CB C 30.055 0.000 1 136 . 18 GLU HB2 H 2.047 0.008 1 137 . 18 GLU CG C 36.644 0.000 1 138 . 18 GLU HG2 H 2.345 0.004 1 139 . 18 GLU C C 178.710 0.000 1 140 . 19 THR N N 115.092 0.000 1 141 . 19 THR H H 8.380 0.000 1 142 . 19 THR CA C 66.726 0.000 1 143 . 19 THR HA H 4.333 0.027 1 144 . 19 THR CB C 69.377 0.000 1 145 . 19 THR HB H 3.844 0.003 1 146 . 19 THR HG2 H 1.317 0.016 1 147 . 19 THR CG2 C 21.581 0.000 1 148 . 19 THR C C 177.047 0.000 1 149 . 20 ALA N N 122.215 0.000 1 150 . 20 ALA H H 7.737 0.000 1 151 . 20 ALA CA C 55.074 0.000 1 152 . 20 ALA HA H 4.392 0.006 1 153 . 20 ALA HB H 1.598 0.004 1 154 . 20 ALA CB C 18.580 0.000 1 155 . 20 ALA C C 178.478 0.000 1 156 . 21 PHE N N 116.831 0.000 1 157 . 21 PHE H H 8.413 0.000 1 158 . 21 PHE CA C 62.305 0.000 1 159 . 21 PHE HA H 3.547 0.003 1 160 . 21 PHE CB C 40.432 0.000 1 161 . 21 PHE HB2 H 3.035 0.015 1 162 . 21 PHE CD1 C 132.075 0.000 1 163 . 21 PHE CE1 C 131.292 0.000 1 164 . 21 PHE CZ C 129.727 0.000 1 165 . 21 PHE HZ H 7.276 0.007 1 166 . 21 PHE HD1 H 6.488 0.002 1 167 . 21 PHE HE1 H 6.886 0.003 1 168 . 21 PHE C C 177.533 0.000 1 169 . 22 ARG N N 115.475 0.000 1 170 . 22 ARG H H 8.206 0.000 1 171 . 22 ARG CA C 58.871 0.000 1 172 . 22 ARG HA H 4.072 0.063 1 173 . 22 ARG CB C 29.560 0.000 1 174 . 22 ARG HB2 H 2.000 0.002 1 175 . 22 ARG CG C 27.838 0.000 1 176 . 22 ARG HG2 H 1.755 0.000 1 177 . 22 ARG CD C 43.453 0.000 1 178 . 22 ARG HD2 H 3.212 0.000 1 179 . 22 ARG NE N 125.022 0.000 1 180 . 22 ARG HE H 7.300 0.000 1 181 . 22 ARG C C 178.835 0.000 1 182 . 23 ASP N N 117.879 0.000 1 183 . 23 ASP H H 7.594 0.000 1 184 . 23 ASP CA C 56.400 0.000 1 185 . 23 ASP HA H 4.423 0.008 1 186 . 23 ASP CB C 40.644 0.000 1 187 . 23 ASP HB2 H 2.854 0.012 1 188 . 23 ASP HB3 H 2.323 0.010 1 189 . 23 ASP C C 177.128 0.000 1 190 . 24 PHE N N 116.541 0.000 1 191 . 24 PHE H H 7.539 0.000 1 192 . 24 PHE CA C 58.326 0.000 1 193 . 24 PHE HA H 4.383 0.035 1 194 . 24 PHE CB C 40.856 0.000 1 195 . 24 PHE HB2 H 3.083 0.010 1 196 . 24 PHE HB3 H 2.407 0.009 1 197 . 24 PHE CD1 C 132.597 0.000 1 198 . 24 PHE CE1 C 131.292 0.000 1 199 . 24 PHE CZ C 129.466 0.000 1 200 . 24 PHE HZ H 7.170 0.002 1 201 . 24 PHE HD1 H 7.503 0.003 1 202 . 24 PHE HE1 H 7.316 0.004 1 203 . 24 PHE C C 175.050 0.000 1 204 . 25 GLU N N 125.335 0.000 1 205 . 25 GLU H H 7.286 0.000 1 206 . 25 GLU CA C 57.474 0.000 1 207 . 25 GLU HA H 4.014 0.013 1 208 . 25 GLU CB C 30.549 0.000 1 209 . 25 GLU HB2 H 1.914 0.012 1 210 . 25 GLU HB3 H 2.011 0.006 1 211 . 25 GLU CG C 36.542 0.000 1 212 . 25 GLU HG2 H 2.279 0.008 1 213 . 25 GLU C C 176.281 0.000 1 214 . 26 THR N N 118.703 0.000 1 215 . 26 THR H H 8.267 0.000 1 216 . 26 THR CA C 58.802 0.000 1 217 . 26 THR HA H 4.526 0.003 1 218 . 26 THR CB C 72.412 0.000 1 219 . 26 THR HB H 4.029 0.002 1 220 . 26 THR HG2 H 1.195 0.000 1 221 . 27 PRO CA C 63.695 0.000 1 222 . 27 PRO HA H 4.914 0.002 1 223 . 27 PRO CB C 34.791 0.000 1 224 . 27 PRO HB2 H 2.525 0.005 1 225 . 27 PRO HB3 H 2.118 0.006 1 226 . 27 PRO HG2 H 1.977 0.001 1 227 . 27 PRO HG3 H 1.811 0.000 1 228 . 27 PRO HD2 H 3.507 0.001 1 229 . 27 PRO HD3 H 3.573 0.003 1 230 . 27 PRO C C 176.570 0.000 1 231 . 28 GLU N N 122.249 0.000 1 232 . 28 GLU H H 8.913 0.000 1 233 . 28 GLU CA C 58.905 0.000 1 234 . 28 GLU HA H 3.978 0.038 1 235 . 28 GLU CB C 29.491 0.000 1 236 . 28 GLU HB2 H 2.115 0.043 1 237 . 28 GLU HB3 H 2.297 0.012 1 238 . 28 GLU CG C 36.542 0.000 1 239 . 28 GLU HG2 H 2.413 0.014 1 240 . 28 GLU C C 177.889 0.000 1 241 . 29 GLY N N 113.826 0.000 1 242 . 29 GLY H H 8.606 0.000 1 243 . 29 GLY CA C 45.916 0.000 1 244 . 29 GLY HA2 H 4.170 0.000 1 245 . 29 GLY HA3 H 3.877 0.001 1 246 . 29 GLY C C 175.375 0.000 1 247 . 30 SER N N 114.920 0.000 1 248 . 30 SER H H 7.945 0.000 1 249 . 30 SER CA C 59.903 0.000 1 250 . 30 SER HA H 4.152 0.002 1 251 . 30 SER CB C 65.141 0.000 1 252 . 30 SER HB2 H 3.974 0.020 1 253 . 30 SER HB3 H 3.797 0.007 1 254 . 30 SER C C 176.480 0.000 1 255 . 31 GLY N N 113.212 0.000 1 256 . 31 GLY H H 9.636 0.000 1 257 . 31 GLY CA C 46.314 0.000 1 258 . 31 GLY HA2 H 4.270 0.000 1 259 . 31 GLY HA3 H 3.933 0.000 1 260 . 31 GLY C C 173.912 0.000 1 261 . 32 ARG N N 118.539 0.000 1 262 . 32 ARG H H 8.104 0.000 1 263 . 32 ARG CA C 54.296 0.000 1 264 . 32 ARG HA H 5.446 0.005 1 265 . 32 ARG CB C 33.796 0.000 1 266 . 32 ARG HB2 H 1.652 0.008 1 267 . 32 ARG HB3 H 1.785 0.012 1 268 . 32 ARG CG C 27.002 0.000 1 269 . 32 ARG HG2 H 1.637 0.013 1 270 . 32 ARG HG3 H 1.476 0.006 1 271 . 32 ARG CD C 42.796 0.000 1 272 . 32 ARG HD2 H 3.130 0.001 1 273 . 32 ARG HD3 H 3.167 0.005 1 274 . 32 ARG NE N 125.218 0.000 1 275 . 32 ARG HE H 7.384 0.000 1 276 . 32 ARG C C 174.108 0.000 1 277 . 33 VAL N N 114.759 0.000 1 278 . 33 VAL H H 8.306 0.000 1 279 . 33 VAL CA C 59.284 0.000 1 280 . 33 VAL HA H 4.343 0.003 1 281 . 33 VAL CB C 35.138 0.000 1 282 . 33 VAL HB H 1.508 0.003 1 283 . 33 VAL HG1 H 0.123 0.003 1 284 . 33 VAL HG2 H 0.115 0.003 1 285 . 33 VAL CG1 C 20.512 0.000 1 286 . 33 VAL CG2 C 20.227 0.000 1 287 . 33 VAL C C 174.893 0.000 1 288 . 34 SER N N 118.115 0.000 1 289 . 34 SER H H 8.810 0.000 1 290 . 34 SER CA C 57.736 0.000 1 291 . 34 SER HA H 4.888 0.008 1 292 . 34 SER CB C 64.576 0.000 1 293 . 34 SER HB2 H 4.076 0.005 1 294 . 34 SER HB3 H 3.881 0.009 1 295 . 34 SER C C 177.978 0.000 1 296 . 35 THR N N 117.953 0.000 1 297 . 35 THR H H 8.555 0.000 1 298 . 35 THR CA C 65.455 0.000 1 299 . 35 THR HA H 3.803 0.000 1 300 . 35 THR CB C 67.459 0.000 1 301 . 35 THR HB H 4.330 0.009 1 302 . 35 THR HG2 H 1.224 0.003 1 303 . 35 THR CG2 C 24.065 0.000 1 304 . 35 THR C C 177.782 0.000 1 305 . 36 ASP N N 119.400 0.000 1 306 . 36 ASP H H 8.185 0.000 1 307 . 36 ASP CA C 55.893 0.000 1 308 . 36 ASP HA H 4.490 0.005 1 309 . 36 ASP CB C 40.220 0.000 1 310 . 36 ASP HB2 H 2.749 0.003 1 311 . 36 ASP C C 177.301 0.000 1 312 . 37 GLN N N 115.611 0.000 1 313 . 37 GLN H H 7.742 0.000 1 314 . 37 GLN CA C 55.232 0.000 1 315 . 37 GLN HA H 4.551 0.005 1 316 . 37 GLN CB C 29.702 0.000 1 317 . 37 GLN HB2 H 1.928 0.012 1 318 . 37 GLN CG C 34.404 0.000 1 319 . 37 GLN HG2 H 2.308 0.003 1 320 . 37 GLN HG3 H 2.452 0.002 1 321 . 37 GLN NE2 N 111.499 0.004 1 322 . 37 GLN HE21 H 7.340 0.000 1 323 . 37 GLN HE22 H 6.775 0.000 1 324 . 37 GLN C C 176.258 0.000 1 325 . 38 ILE N N 118.834 0.000 1 326 . 38 ILE H H 7.212 0.000 1 327 . 38 ILE CA C 65.526 0.000 1 328 . 38 ILE HA H 3.470 0.004 1 329 . 38 ILE CB C 37.820 0.000 1 330 . 38 ILE HB H 1.825 0.009 1 331 . 38 ILE HG2 H 0.889 0.009 1 332 . 38 ILE CG2 C 17.503 0.000 1 333 . 38 ILE CG1 C 28.987 0.000 1 334 . 38 ILE HG12 H 1.719 0.006 1 335 . 38 ILE HG13 H 1.089 0.008 1 336 . 38 ILE HD1 H 0.873 0.006 1 337 . 38 ILE CD1 C 13.128 0.000 1 338 . 38 ILE C C 176.463 0.000 1 339 . 39 GLY N N 105.570 0.000 1 340 . 39 GLY H H 8.738 0.000 1 341 . 39 GLY CA C 47.369 0.000 1 342 . 39 GLY HA2 H 3.870 0.000 1 343 . 39 GLY HA3 H 3.690 0.000 1 344 . 39 GLY C C 176.229 0.000 1 345 . 40 ILE N N 122.100 0.000 1 346 . 40 ILE H H 7.293 0.000 1 347 . 40 ILE CA C 63.568 0.000 1 348 . 40 ILE HA H 3.878 0.005 1 349 . 40 ILE CB C 37.820 0.000 1 350 . 40 ILE HB H 1.822 0.005 1 351 . 40 ILE HG2 H 0.937 0.005 1 352 . 40 ILE CG2 C 18.050 0.000 1 353 . 40 ILE CG1 C 28.987 0.000 1 354 . 40 ILE HG12 H 1.258 0.004 1 355 . 40 ILE HG13 H 1.574 0.003 1 356 . 40 ILE HD1 H 0.945 0.007 1 357 . 40 ILE CD1 C 13.128 0.000 1 358 . 40 ILE C C 177.711 0.000 1 359 . 41 ILE N N 121.109 0.000 1 360 . 41 ILE H H 7.706 0.000 1 361 . 41 ILE CA C 65.558 0.000 1 362 . 41 ILE HA H 3.163 0.003 1 363 . 41 ILE CB C 37.538 0.000 1 364 . 41 ILE HB H 1.397 0.003 1 365 . 41 ILE HG2 H 0.688 0.003 1 366 . 41 ILE CG2 C 18.596 0.000 1 367 . 41 ILE CG1 C 27.347 0.000 1 368 . 41 ILE HG12 H -0.401 0.009 1 369 . 41 ILE HG13 H 1.028 0.003 1 370 . 41 ILE HD1 H 0.180 0.002 1 371 . 41 ILE CD1 C 14.768 0.000 1 372 . 41 ILE C C 177.978 0.000 1 373 . 42 LEU N N 117.028 0.000 1 374 . 42 LEU H H 7.956 0.000 1 375 . 42 LEU CA C 58.355 0.000 1 376 . 42 LEU HA H 3.880 0.011 1 377 . 42 LEU CB C 39.514 0.000 1 378 . 42 LEU HB2 H 1.795 0.007 1 379 . 42 LEU HB3 H 1.457 0.004 1 380 . 42 LEU HG H 1.975 0.002 1 381 . 42 LEU HD1 H 0.659 0.006 1 382 . 42 LEU HD2 H 0.552 0.003 1 383 . 42 LEU CD1 C 21.848 0.000 1 384 . 42 LEU CD2 C 25.321 0.000 1 385 . 42 LEU C C 178.977 0.000 1 386 . 43 GLU N N 118.807 0.000 1 387 . 43 GLU H H 7.667 0.000 1 388 . 43 GLU CA C 60.340 0.000 1 389 . 43 GLU HA H 3.927 0.002 1 390 . 43 GLU CB C 29.066 0.000 1 391 . 43 GLU HB2 H 2.213 0.003 1 392 . 43 GLU HG2 H 2.429 0.000 1 393 . 43 GLU C C 181.171 0.000 1 394 . 44 VAL N N 123.357 0.000 1 395 . 44 VAL H H 8.394 0.000 1 396 . 44 VAL CA C 66.569 0.000 1 397 . 44 VAL HA H 3.845 0.003 1 398 . 44 VAL CB C 31.114 0.000 1 399 . 44 VAL HB H 2.506 0.005 1 400 . 44 VAL HG1 H 1.137 0.004 1 401 . 44 VAL HG2 H 1.285 0.003 1 402 . 44 VAL CG1 C 21.046 0.000 1 403 . 44 VAL CG2 C 23.183 0.000 1 404 . 44 VAL C C 178.498 0.000 1 405 . 45 LEU N N 118.643 0.000 1 406 . 45 LEU H H 7.599 0.000 1 407 . 45 LEU CA C 55.200 0.000 1 408 . 45 LEU HA H 4.295 0.007 1 409 . 45 LEU CB C 43.754 0.000 1 410 . 45 LEU HB2 H 1.972 0.004 1 411 . 45 LEU HB3 H 1.638 0.004 1 412 . 45 LEU HD1 H 0.952 0.000 1 413 . 45 LEU HD2 H 0.878 0.000 1 414 . 45 LEU C C 176.391 0.000 1 415 . 46 GLY N N 107.593 0.000 1 416 . 46 GLY H H 7.954 0.000 1 417 . 46 GLY CA C 45.901 0.000 1 418 . 46 GLY HA2 H 4.200 0.000 1 419 . 46 GLY HA3 H 3.900 0.000 1 420 . 46 GLY C C 174.872 0.000 1 421 . 47 ILE N N 117.183 0.000 1 422 . 47 ILE H H 8.074 0.000 1 423 . 47 ILE CA C 59.146 0.000 1 424 . 47 ILE HA H 4.486 0.004 1 425 . 47 ILE CB C 37.679 0.000 1 426 . 47 ILE HB H 1.814 0.011 1 427 . 47 ILE HG2 H 0.755 0.006 1 428 . 47 ILE CG2 C 18.596 0.000 1 429 . 47 ILE CG1 C 26.253 0.000 1 430 . 47 ILE HG12 H 1.558 0.006 1 431 . 47 ILE HG13 H 0.881 0.013 1 432 . 47 ILE HD1 H 0.803 0.003 1 433 . 47 ILE CD1 C 14.221 0.000 1 434 . 47 ILE C C 174.251 0.000 1 435 . 48 GLN N N 121.339 0.000 1 436 . 48 GLN H H 8.031 0.000 1 437 . 48 GLN CA C 56.256 0.000 1 438 . 48 GLN HA H 3.984 0.003 1 439 . 48 GLN CB C 28.996 0.000 1 440 . 48 GLN HB2 H 1.889 0.000 1 441 . 48 GLN HB3 H 2.230 0.000 1 442 . 48 GLN NE2 N 116.064 0.000 1 443 . 48 GLN HE21 H 6.351 0.000 1 444 . 48 GLN HE22 H 6.565 0.000 1 445 . 48 GLN C C 175.241 0.000 1 446 . 49 GLN N N 120.862 0.000 1 447 . 49 GLN H H 8.329 0.000 1 448 . 49 GLN CA C 52.074 0.000 1 449 . 49 GLN CB C 32.031 0.000 1 450 . 49 GLN C C 175.214 0.000 1 451 . 50 THR N N 110.778 0.000 1 452 . 50 THR H H 8.654 0.000 1 453 . 50 THR CA C 60.979 0.000 1 454 . 50 THR HA H 4.288 0.003 1 455 . 50 THR CB C 71.353 0.000 1 456 . 50 THR HB H 4.732 0.000 1 457 . 50 THR HG2 H 1.304 0.019 1 458 . 50 THR C C 175.339 0.000 1 459 . 51 LYS N N 120.163 0.000 1 460 . 51 LYS H H 8.794 0.000 1 461 . 51 LYS CA C 60.041 0.000 1 462 . 51 LYS HA H 3.946 0.001 1 463 . 51 LYS CB C 31.961 0.000 1 464 . 51 LYS HB2 H 1.897 0.002 1 465 . 51 LYS HG2 H 1.500 0.006 1 466 . 51 LYS HD2 H 1.637 0.002 1 467 . 51 LYS C C 179.614 0.000 1 468 . 52 SER N N 113.762 0.000 1 469 . 52 SER H H 8.335 0.000 1 470 . 52 SER CA C 61.254 0.000 1 471 . 52 SER HA H 4.218 0.002 1 472 . 52 SER CB C 62.444 0.000 1 473 . 52 SER HB2 H 3.871 0.000 1 474 . 52 SER HB3 H 3.926 0.000 1 475 . 52 SER C C 175.854 0.000 1 476 . 53 THR N N 122.427 0.000 1 477 . 53 THR H H 7.740 0.000 1 478 . 53 THR CA C 66.474 0.000 1 479 . 53 THR HA H 4.021 0.003 1 480 . 53 THR CB C 68.459 0.000 1 481 . 53 THR HB H 4.340 0.010 1 482 . 53 THR HG2 H 1.245 0.006 1 483 . 53 THR CG2 C 21.313 0.000 1 484 . 53 THR C C 176.302 0.000 1 485 . 54 ILE N N 121.558 0.000 1 486 . 54 ILE H H 8.259 0.000 1 487 . 54 ILE CA C 65.141 0.000 1 488 . 54 ILE HA H 3.529 0.003 1 489 . 54 ILE CB C 36.549 0.000 1 490 . 54 ILE HB H 1.977 0.003 1 491 . 54 ILE HG2 H 0.921 0.003 1 492 . 54 ILE CG2 C 17.870 0.000 1 493 . 54 ILE CG1 C 28.987 0.000 1 494 . 54 ILE HG12 H 1.474 0.002 1 495 . 54 ILE HG13 H 1.068 0.006 1 496 . 54 ILE HD1 H 0.706 0.001 1 497 . 54 ILE CD1 C 12.581 0.000 1 498 . 54 ILE C C 177.265 0.000 1 499 . 55 ARG N N 118.881 0.000 1 500 . 55 ARG H H 8.066 0.000 1 501 . 55 ARG CA C 59.450 0.000 1 502 . 55 ARG CB C 29.649 0.000 1 503 . 55 ARG CG C 27.510 0.000 1 504 . 55 ARG CD C 43.363 0.000 1 505 . 55 ARG NE N 124.193 0.000 1 506 . 55 ARG HE H 7.383 0.000 1 507 . 55 ARG C C 178.531 0.000 1 508 . 56 GLN N N 117.794 0.000 1 509 . 56 GLN H H 7.614 0.000 1 510 . 56 GLN CA C 59.179 0.000 1 511 . 56 GLN HA H 4.174 0.004 1 512 . 56 GLN CB C 28.260 0.000 1 513 . 56 GLN HB2 H 2.166 0.003 1 514 . 56 GLN HB3 H 2.317 0.050 1 515 . 56 GLN CG C 34.404 0.000 1 516 . 56 GLN HG2 H 2.461 0.007 1 517 . 56 GLN HG3 H 2.609 0.003 1 518 . 56 GLN NE2 N 112.492 0.000 1 519 . 56 GLN HE21 H 6.965 0.000 1 520 . 56 GLN HE22 H 7.568 0.000 1 521 . 56 GLN C C 179.456 0.000 1 522 . 57 LEU N N 121.028 0.000 1 523 . 57 LEU H H 8.319 0.000 1 524 . 57 LEU CA C 58.276 0.000 1 525 . 57 LEU HA H 4.407 0.019 1 526 . 57 LEU CB C 42.781 0.000 1 527 . 57 LEU HB2 H 2.405 0.005 1 528 . 57 LEU HB3 H 1.443 0.003 1 529 . 57 LEU CG C 26.250 0.000 1 530 . 57 LEU HG H 2.250 0.001 1 531 . 57 LEU HD1 H 1.116 0.003 1 532 . 57 LEU HD2 H 0.905 0.001 1 533 . 57 LEU CD1 C 23.518 0.000 1 534 . 57 LEU C C 179.161 0.000 1 535 . 58 ILE N N 121.229 0.000 1 536 . 58 ILE H H 8.406 0.000 1 537 . 58 ILE CA C 66.695 0.000 1 538 . 58 ILE HA H 3.468 0.006 1 539 . 58 ILE CB C 37.608 0.000 1 540 . 58 ILE HB H 1.974 0.009 1 541 . 58 ILE HG2 H 1.047 0.000 1 542 . 58 ILE CG2 C 18.050 0.000 1 543 . 58 ILE HD1 H 0.878 0.003 1 544 . 58 ILE CD1 C 14.221 0.000 1 545 . 58 ILE C C 177.426 0.000 1 546 . 59 ASP N N 118.524 0.000 1 547 . 59 ASP H H 7.866 0.000 1 548 . 59 ASP CA C 57.289 0.000 1 549 . 59 ASP HA H 4.216 0.004 1 550 . 59 ASP CB C 40.291 0.000 1 551 . 59 ASP HB2 H 2.712 0.003 1 552 . 59 ASP HB3 H 2.619 0.005 1 553 . 59 ASP C C 177.479 0.000 1 554 . 60 GLU N N 118.291 0.000 1 555 . 60 GLU H H 7.751 0.000 1 556 . 60 GLU CA C 58.630 0.000 1 557 . 60 GLU HA H 3.799 0.008 1 558 . 60 GLU CB C 29.843 0.000 1 559 . 60 GLU HB2 H 1.877 0.010 1 560 . 60 GLU CG C 34.456 0.000 1 561 . 60 GLU HG2 H 0.700 0.006 1 562 . 60 GLU HG3 H 1.808 0.003 1 563 . 60 GLU C C 178.157 0.000 1 564 . 61 PHE N N 113.504 0.000 1 565 . 61 PHE H H 8.408 0.000 1 566 . 61 PHE CA C 60.284 0.000 1 567 . 61 PHE HA H 4.549 0.005 1 568 . 61 PHE CB C 39.726 0.000 1 569 . 61 PHE HB2 H 3.300 0.006 1 570 . 61 PHE HB3 H 2.741 0.004 1 571 . 61 PHE CE1 C 129.727 0.000 1 572 . 61 PHE CZ C 131.292 0.000 1 573 . 61 PHE HZ H 7.586 0.001 1 574 . 61 PHE HD1 H 7.217 0.002 1 575 . 61 PHE HE1 H 7.051 0.003 1 576 . 61 PHE C C 175.214 0.000 1 577 . 62 ASP N N 120.630 0.000 1 578 . 62 ASP H H 8.743 0.000 1 579 . 62 ASP CA C 52.642 0.000 1 580 . 62 ASP HA H 5.417 0.004 1 581 . 62 ASP CB C 41.068 0.000 1 582 . 62 ASP HB2 H 3.042 0.002 1 583 . 62 ASP HB3 H 2.321 0.007 1 584 . 63 PRO CA C 65.085 0.000 1 585 . 63 PRO HA H 4.333 0.000 1 586 . 63 PRO CB C 31.456 0.000 1 587 . 63 PRO C C 178.371 0.000 1 588 . 64 PHE N N 116.373 0.000 1 589 . 64 PHE H H 8.815 0.000 1 590 . 64 PHE CA C 56.876 0.000 1 591 . 64 PHE HA H 4.667 0.140 1 592 . 64 PHE CB C 37.891 0.000 1 593 . 64 PHE HB2 H 3.449 0.003 1 594 . 64 PHE HB3 H 3.015 0.003 1 595 . 64 PHE CD1 C 131.814 0.000 1 596 . 64 PHE CE1 C 131.814 0.000 1 597 . 64 PHE HD1 H 7.325 0.000 1 598 . 64 PHE HE1 H 7.406 0.000 1 599 . 64 PHE C C 175.161 0.000 1 600 . 65 GLY N N 110.190 0.000 1 601 . 65 GLY H H 7.858 0.000 1 602 . 65 GLY CA C 47.801 0.000 1 603 . 65 GLY HA2 H 4.010 0.000 1 604 . 65 GLY C C 176.463 0.000 1 605 . 66 ASN N N 122.324 0.000 1 606 . 66 ASN H H 10.371 0.000 1 607 . 66 ASN CA C 55.603 0.000 1 608 . 66 ASN HA H 4.582 0.002 1 609 . 66 ASN CB C 39.373 0.000 1 610 . 66 ASN HB2 H 3.009 0.015 1 611 . 66 ASN ND2 N 114.243 0.000 1 612 . 66 ASN HD21 H 7.004 0.000 1 613 . 66 ASN HD22 H 7.934 0.000 1 614 . 66 ASN C C 178.014 0.000 1 615 . 67 GLY N N 109.545 0.000 1 616 . 67 GLY H H 10.897 0.000 1 617 . 67 GLY CA C 45.351 0.000 1 618 . 67 GLY HA2 H 4.340 0.000 1 619 . 67 GLY HA3 H 3.760 0.000 1 620 . 67 GLY C C 174.077 0.000 1 621 . 68 ASP N N 118.759 0.000 1 622 . 68 ASP H H 7.593 0.000 1 623 . 68 ASP CA C 52.737 0.000 1 624 . 68 ASP HA H 5.407 0.007 1 625 . 68 ASP CB C 44.739 0.000 1 626 . 68 ASP HB2 H 2.590 0.005 1 627 . 68 ASP HB3 H 2.754 0.010 1 628 . 68 ASP C C 173.894 0.000 1 629 . 69 ILE N N 111.640 0.000 1 630 . 69 ILE H H 8.752 0.000 1 631 . 69 ILE CA C 59.842 0.000 1 632 . 69 ILE HA H 4.903 0.002 1 633 . 69 ILE CB C 42.691 0.000 1 634 . 69 ILE HB H 1.996 0.006 1 635 . 69 ILE HG2 H 0.991 0.012 1 636 . 69 ILE CG2 C 17.503 0.000 1 637 . 69 ILE CG1 C 26.253 0.000 1 638 . 69 ILE HG12 H 1.075 0.008 1 639 . 69 ILE HG13 H 1.654 0.003 1 640 . 69 ILE HD1 H 0.782 0.002 1 641 . 69 ILE CD1 C 14.220 0.000 1 642 . 69 ILE C C 174.144 0.000 1 643 . 70 ASP N N 120.415 0.000 1 644 . 70 ASP H H 8.256 0.000 1 645 . 70 ASP CA C 51.956 0.000 1 646 . 70 ASP HA H 5.598 0.005 1 647 . 70 ASP CB C 42.691 0.000 1 648 . 70 ASP HB2 H 3.427 0.005 1 649 . 70 ASP HB3 H 2.813 0.009 1 650 . 70 ASP C C 176.452 0.000 1 651 . 71 PHE N N 119.398 0.000 1 652 . 71 PHE H H 8.499 0.000 1 653 . 71 PHE CA C 60.537 0.000 1 654 . 71 PHE HA H 3.565 0.005 1 655 . 71 PHE CB C 38.456 0.000 1 656 . 71 PHE HB2 H 2.672 0.002 1 657 . 71 PHE HB3 H 2.380 0.006 1 658 . 71 PHE CD1 C 132.075 0.000 1 659 . 71 PHE CE1 C 130.770 0.000 1 660 . 71 PHE HD1 H 6.526 0.001 1 661 . 71 PHE HE1 H 7.105 0.001 1 662 . 71 PHE C C 176.464 0.000 1 663 . 72 ASP N N 118.984 0.000 1 664 . 72 ASP H H 8.136 0.000 1 665 . 72 ASP CA C 58.345 0.000 1 666 . 72 ASP HA H 4.044 0.006 1 667 . 72 ASP CB C 40.210 0.000 1 668 . 72 ASP HB2 H 2.616 0.005 1 669 . 72 ASP HB3 H 2.727 0.006 1 670 . 72 ASP C C 179.637 0.000 1 671 . 73 SER N N 116.112 0.000 1 672 . 73 SER H H 8.188 0.000 1 673 . 73 SER CA C 62.243 0.000 1 674 . 73 SER HA H 4.083 0.003 1 675 . 73 SER HB2 H 3.520 0.000 1 676 . 73 SER C C 174.768 0.000 1 677 . 74 PHE N N 122.519 0.000 1 678 . 74 PHE H H 8.144 0.000 1 679 . 74 PHE CA C 61.623 0.000 1 680 . 74 PHE HA H 3.780 0.003 1 681 . 74 PHE CB C 39.797 0.000 1 682 . 74 PHE HB2 H 2.899 0.003 1 683 . 74 PHE HB3 H 3.072 0.007 1 684 . 74 PHE CE1 C 128.422 0.000 1 685 . 74 PHE HZ H 7.222 0.000 1 686 . 74 PHE HD1 H 6.526 0.000 1 687 . 74 PHE HE1 H 7.111 0.003 1 688 . 74 PHE C C 176.288 0.000 1 689 . 75 LYS N N 117.726 0.000 1 690 . 75 LYS H H 8.262 0.000 1 691 . 75 LYS CA C 60.419 0.000 1 692 . 75 LYS HA H 3.364 0.001 1 693 . 75 LYS CB C 31.961 0.000 1 694 . 75 LYS HB2 H 1.469 0.010 1 695 . 75 LYS HB3 H 1.347 0.007 1 696 . 75 LYS HG2 H 0.826 0.001 1 697 . 75 LYS HG3 H 0.773 0.003 1 698 . 75 LYS C C 177.691 0.000 1 699 . 76 ILE N N 119.088 0.000 1 700 . 76 ILE H H 6.856 0.000 1 701 . 76 ILE CA C 65.463 0.000 1 702 . 76 ILE HA H 3.331 0.009 1 703 . 76 ILE CB C 37.326 0.000 1 704 . 76 ILE HB H 1.941 0.002 1 705 . 76 ILE HG2 H 0.974 0.000 1 706 . 76 ILE CG2 C 18.296 0.019 1 707 . 76 ILE HD1 H 0.979 0.001 1 708 . 76 ILE CD1 C 13.674 0.000 1 709 . 76 ILE C C 178.189 0.000 1 710 . 77 ILE N N 119.656 0.000 1 711 . 77 ILE H H 7.196 0.000 1 712 . 77 ILE CA C 66.316 0.000 1 713 . 77 ILE HA H 3.011 0.005 1 714 . 77 ILE CB C 37.538 0.000 1 715 . 77 ILE HB H 1.554 0.006 1 716 . 77 ILE HG2 H 0.725 0.003 1 717 . 77 ILE CG2 C 17.503 0.000 1 718 . 77 ILE CG1 C 28.987 0.000 1 719 . 77 ILE HG12 H 0.455 0.010 1 720 . 77 ILE HG13 H 1.005 0.006 1 721 . 77 ILE HD1 H 0.411 0.014 1 722 . 77 ILE CD1 C 13.128 0.000 1 723 . 77 ILE C C 177.657 0.000 1 724 . 78 GLY N N 103.881 0.000 1 725 . 78 GLY H H 8.479 0.000 1 726 . 78 GLY CA C 47.274 0.000 1 727 . 78 GLY HA2 H 3.310 0.000 1 728 . 78 GLY HA3 H 3.240 0.000 1 729 . 78 GLY C C 174.661 0.000 1 730 . 79 ALA N N 121.701 0.000 1 731 . 79 ALA H H 8.250 0.000 1 732 . 79 ALA CA C 54.571 0.000 1 733 . 79 ALA HA H 3.907 0.005 1 734 . 79 ALA HB H 1.256 0.004 1 735 . 79 ALA CB C 18.116 0.000 1 736 . 79 ALA C C 178.852 0.000 1 737 . 80 ARG N N 116.825 0.000 1 738 . 80 ARG H H 7.558 0.000 1 739 . 80 ARG CA C 58.970 0.000 1 740 . 80 ARG HA H 3.744 0.003 1 741 . 80 ARG CB C 29.702 0.000 1 742 . 80 ARG HB2 H 1.081 0.005 1 743 . 80 ARG HB3 H 1.460 0.004 1 744 . 80 ARG CG C 26.441 0.000 1 745 . 80 ARG HG2 H 0.980 0.009 1 746 . 80 ARG HG3 H 1.541 0.005 1 747 . 80 ARG CD C 43.847 0.000 1 748 . 80 ARG HD2 H 2.513 0.003 1 749 . 80 ARG HD3 H 2.988 0.003 1 750 . 80 ARG NE N 122.968 0.000 1 751 . 80 ARG HE H 6.863 0.000 1 752 . 80 ARG C C 177.555 0.000 1 753 . 81 PHE N N 113.314 0.000 1 754 . 81 PHE H H 7.003 0.000 1 755 . 81 PHE CA C 58.434 0.000 1 756 . 81 PHE HA H 4.874 0.003 1 757 . 81 PHE CB C 42.480 0.000 1 758 . 81 PHE HB2 H 3.338 0.006 1 759 . 81 PHE HB3 H 2.533 0.008 1 760 . 81 PHE CD1 C 132.075 0.000 1 761 . 81 PHE CE1 C 130.509 0.000 1 762 . 81 PHE HD1 H 7.227 0.001 1 763 . 81 PHE HE1 H 7.156 0.007 1 764 . 81 PHE C C 176.480 0.000 1 765 . 82 LEU N N 120.572 0.000 1 766 . 82 LEU H H 8.396 0.000 1 767 . 82 LEU CA C 56.211 0.000 1 768 . 82 LEU HA H 4.299 0.003 1 769 . 82 LEU CB C 42.691 0.000 1 770 . 82 LEU HB2 H 1.638 0.012 1 771 . 82 LEU HG H 1.496 0.004 1 772 . 82 LEU HD1 H 0.764 0.005 1 773 . 82 LEU HD2 H 0.941 0.005 1 774 . 82 LEU CD1 C 25.159 0.000 1 775 . 82 LEU C C 177.640 0.000 1 776 . 83 GLY N N 108.039 0.000 1 777 . 83 GLY H H 8.193 0.000 1 778 . 83 GLY CA C 44.904 0.000 1 779 . 83 GLY HA2 H 4.050 0.000 1 780 . 83 GLY HA3 H 3.800 0.000 1 781 . 83 GLY C C 173.576 0.000 1 782 . 84 GLU N N 120.240 0.000 1 783 . 84 GLU H H 8.193 0.000 1 784 . 84 GLU CA C 56.153 0.000 1 785 . 84 GLU HA H 4.381 0.000 1 786 . 84 GLU CB C 30.549 0.000 1 787 . 84 GLU HB2 H 1.971 0.000 1 788 . 84 GLU CG C 36.375 0.000 1 789 . 84 GLU HG2 H 2.311 0.000 1 790 . 84 GLU C C 176.744 0.000 1 791 . 85 GLU N N 124.103 0.000 1 792 . 85 GLU H H 8.750 0.000 1 793 . 85 GLU CA C 56.369 0.000 1 794 . 85 GLU HA H 4.374 0.000 1 795 . 85 GLU CB C 30.549 0.000 1 796 . 85 GLU HB2 H 1.981 0.000 1 797 . 85 GLU CG C 36.591 0.000 1 798 . 85 GLU HG2 H 2.300 0.000 1 799 . 85 GLU C C 176.195 0.000 1 800 . 86 VAL N N 122.885 0.000 1 801 . 86 VAL H H 8.311 0.000 1 802 . 86 VAL CA C 62.116 0.000 1 803 . 86 VAL HA H 4.128 0.004 1 804 . 86 VAL CB C 32.949 0.000 1 805 . 86 VAL HB H 2.049 0.006 1 806 . 86 VAL HG1 H 0.943 0.011 1 807 . 86 VAL HG2 H 0.915 0.008 1 808 . 86 VAL CG1 C 21.046 0.000 1 809 . 86 VAL CG2 C 20.779 0.000 1 810 . 86 VAL C C 175.464 0.000 1 811 . 87 ASN N N 124.719 0.000 1 812 . 87 ASN H H 8.693 0.000 1 813 . 87 ASN CA C 51.190 0.000 1 814 . 87 ASN HA H 5.052 0.001 1 815 . 87 ASN CB C 38.809 0.000 1 816 . 87 ASN HB2 H 2.967 0.004 1 817 . 87 ASN HB3 H 2.873 0.004 1 818 . 87 ASN ND2 N 113.240 0.000 1 819 . 87 ASN HD21 H 7.738 0.000 1 820 . 87 ASN HD22 H 7.085 0.000 1 821 . 88 PRO CA C 65.015 0.000 1 822 . 88 PRO HA H 4.390 0.007 1 823 . 88 PRO CB C 32.012 0.000 1 824 . 88 PRO HB2 H 2.401 0.002 1 825 . 88 PRO HB3 H 2.034 0.008 1 826 . 88 PRO HD2 H 3.891 0.005 1 827 . 88 PRO HD3 H 3.939 0.002 1 828 . 88 PRO C C 178.139 0.000 1 829 . 89 GLU N N 118.863 0.000 1 830 . 89 GLU H H 8.347 0.000 1 831 . 89 GLU CA C 58.831 0.000 1 832 . 89 GLU HA H 4.193 0.006 1 833 . 89 GLU CB C 29.281 0.000 1 834 . 89 GLU HB2 H 2.085 0.011 1 835 . 89 GLU CG C 36.644 0.000 1 836 . 89 GLU HG2 H 2.332 0.006 1 837 . 89 GLU C C 178.264 0.000 1 838 . 90 GLN N N 120.861 0.000 1 839 . 90 GLN H H 7.991 0.000 1 840 . 90 GLN CA C 58.484 0.000 1 841 . 90 GLN CB C 28.538 0.000 1 842 . 90 GLN NE2 N 112.415 0.000 1 843 . 90 GLN HE21 H 6.850 0.000 1 844 . 90 GLN HE22 H 7.705 0.000 1 845 . 90 GLN C C 176.450 0.000 1 846 . 91 MET N N 119.697 0.000 1 847 . 91 MET H H 8.526 0.000 1 848 . 91 MET CA C 58.280 0.000 1 849 . 91 MET CB C 32.359 0.000 1 850 . 91 MET C C 178.032 0.000 1 851 . 92 GLN N N 118.309 0.000 1 852 . 92 GLN H H 8.218 0.000 1 853 . 92 GLN CA C 59.043 0.000 1 854 . 92 GLN HA H 4.127 0.000 1 855 . 92 GLN CB C 28.260 0.000 1 856 . 92 GLN HB2 H 2.251 0.002 1 857 . 92 GLN CG C 34.456 0.000 1 858 . 92 GLN HG2 H 2.615 0.003 1 859 . 92 GLN HG3 H 2.476 0.001 1 860 . 92 GLN NE2 N 111.790 0.004 1 861 . 92 GLN HE21 H 6.853 0.000 1 862 . 92 GLN HE22 H 7.289 0.000 1 863 . 92 GLN C C 177.747 0.000 1 864 . 93 GLN N N 119.541 0.000 1 865 . 93 GLN H H 8.067 0.000 1 866 . 93 GLN CA C 59.613 0.000 1 867 . 93 GLN HA H 4.044 0.022 1 868 . 93 GLN CB C 28.051 0.000 1 869 . 93 GLN HB2 H 2.246 0.009 1 870 . 93 GLN HG2 H 2.479 0.002 1 871 . 93 GLN NE2 N 112.070 0.000 1 872 . 93 GLN HE21 H 6.815 0.000 1 873 . 93 GLN HE22 H 7.657 0.000 1 874 . 93 GLN C C 176.534 0.000 1 875 . 94 GLU N N 120.074 0.000 1 876 . 94 GLU H H 8.432 0.000 1 877 . 94 GLU CA C 59.463 0.000 1 878 . 94 GLU HA H 4.105 0.008 1 879 . 94 GLU CB C 29.232 0.000 1 880 . 94 GLU HB2 H 2.184 0.002 1 881 . 94 GLU HG2 H 2.477 0.003 1 882 . 94 GLU C C 179.367 0.000 1 883 . 95 LEU N N 121.492 0.000 1 884 . 95 LEU H H 8.317 0.000 1 885 . 95 LEU CA C 58.345 0.000 1 886 . 95 LEU HA H 4.483 0.004 1 887 . 95 LEU CB C 41.878 0.000 1 888 . 95 LEU HB2 H 1.750 0.013 1 889 . 95 LEU HB3 H 2.210 0.004 1 890 . 95 LEU CG C 26.940 0.000 1 891 . 95 LEU HG H 1.991 0.006 1 892 . 95 LEU HD1 H 0.932 0.006 1 893 . 95 LEU HD2 H 0.883 0.000 1 894 . 95 LEU CD1 C 23.518 0.000 1 895 . 95 LEU C C 179.209 0.000 1 896 . 96 ARG N N 120.837 0.000 1 897 . 96 ARG H H 8.476 0.000 1 898 . 96 ARG CA C 59.842 0.000 1 899 . 96 ARG HA H 4.026 0.006 1 900 . 96 ARG CB C 29.442 0.000 1 901 . 96 ARG HB2 H 1.912 0.002 1 902 . 96 ARG CG C 27.894 0.000 1 903 . 96 ARG HG2 H 1.341 0.003 1 904 . 96 ARG HG3 H 1.550 0.005 1 905 . 96 ARG CD C 43.207 0.000 1 906 . 96 ARG HD2 H 2.854 0.003 1 907 . 96 ARG HD3 H 2.927 0.006 1 908 . 96 ARG NE N 124.236 0.000 1 909 . 96 ARG HE H 7.040 0.000 1 910 . 96 ARG C C 179.191 0.000 1 911 . 97 GLU N N 119.205 0.000 1 912 . 97 GLU H H 8.004 0.000 1 913 . 97 GLU CA C 59.146 0.000 1 914 . 97 GLU HA H 4.115 0.005 1 915 . 97 GLU CB C 28.941 0.000 1 916 . 97 GLU HB2 H 2.138 0.007 1 917 . 97 GLU CG C 36.097 0.000 1 918 . 97 GLU HG2 H 2.345 0.005 1 919 . 97 GLU C C 178.750 0.000 1 920 . 98 ALA N N 122.304 0.000 1 921 . 98 ALA H H 7.995 0.000 1 922 . 98 ALA CA C 54.984 0.000 1 923 . 98 ALA HA H 4.127 0.004 1 924 . 98 ALA HB H 1.782 0.002 1 925 . 98 ALA CB C 17.919 0.000 1 926 . 98 ALA C C 175.464 0.000 1 927 . 99 PHE N N 117.693 0.000 1 928 . 99 PHE H H 8.466 0.000 1 929 . 99 PHE CA C 61.959 0.000 1 930 . 99 PHE HA H 3.661 0.006 1 931 . 99 PHE CB C 39.915 0.000 1 932 . 99 PHE HB2 H 3.004 0.008 1 933 . 99 PHE HB3 H 3.117 0.000 1 934 . 99 PHE CD1 C 131.814 0.000 1 935 . 99 PHE CE1 C 130.770 0.000 1 936 . 99 PHE CZ C 128.944 0.000 1 937 . 99 PHE HZ H 7.211 0.006 1 938 . 99 PHE HD1 H 6.347 0.001 1 939 . 99 PHE HE1 H 6.959 0.001 1 940 . 99 PHE C C 177.015 0.000 1 941 . 100 ARG N N 116.151 0.000 1 942 . 100 ARG H H 7.831 0.000 1 943 . 100 ARG CA C 58.548 0.000 1 944 . 100 ARG HA H 3.881 0.017 1 945 . 100 ARG CB C 29.984 0.000 1 946 . 100 ARG HB2 H 1.905 0.003 1 947 . 100 ARG CG C 27.838 0.000 1 948 . 100 ARG HG2 H 1.745 0.117 1 949 . 100 ARG CD C 43.453 0.000 1 950 . 100 ARG HD2 H 2.996 0.029 1 951 . 100 ARG NE N 124.805 0.000 1 952 . 100 ARG HE H 7.280 0.000 1 953 . 100 ARG C C 177.996 0.000 1 954 . 101 LEU N N 118.193 0.000 1 955 . 101 LEU H H 7.378 0.000 1 956 . 101 LEU CA C 57.000 0.000 1 957 . 101 LEU HA H 3.901 0.004 1 958 . 101 LEU CB C 41.138 0.000 1 959 . 101 LEU HB2 H 1.272 0.003 1 960 . 101 LEU HB3 H 1.551 0.038 1 961 . 101 LEU HG H 1.537 0.008 1 962 . 101 LEU HD1 H 0.805 0.005 1 963 . 101 LEU HD2 H 0.710 0.005 1 964 . 101 LEU CD1 C 24.786 0.000 1 965 . 101 LEU CD2 C 23.451 0.000 1 966 . 101 LEU C C 178.940 0.000 1 967 . 102 TYR N N 116.256 0.000 1 968 . 102 TYR H H 7.313 0.000 1 969 . 102 TYR CA C 59.242 0.000 1 970 . 102 TYR HA H 4.417 0.004 1 971 . 102 TYR CB C 39.020 0.000 1 972 . 102 TYR HB2 H 2.470 0.011 1 973 . 102 TYR HB3 H 2.965 0.013 1 974 . 102 TYR CD1 C 133.380 0.000 1 975 . 102 TYR CE1 C 118.247 0.000 1 976 . 102 TYR HE1 H 6.809 0.001 1 977 . 102 TYR HD1 H 7.037 0.000 1 978 . 102 TYR C C 176.748 0.000 1 979 . 103 ASP N N 121.620 0.000 1 980 . 103 ASP H H 7.866 0.000 1 981 . 103 ASP CA C 51.922 0.000 1 982 . 103 ASP HA H 4.703 0.013 1 983 . 103 ASP CB C 38.809 0.000 1 984 . 103 ASP HB2 H 1.614 0.002 1 985 . 103 ASP HB3 H 2.381 0.005 1 986 . 103 ASP C C 176.623 0.000 1 987 . 104 LYS N N 122.680 0.000 1 988 . 104 LYS H H 7.615 0.000 1 989 . 104 LYS CA C 59.069 0.000 1 990 . 104 LYS HA H 3.987 0.005 1 991 . 104 LYS CB C 32.567 0.000 1 992 . 104 LYS HB2 H 1.821 0.013 1 993 . 104 LYS CG C 25.159 0.000 1 994 . 104 LYS HG2 H 1.467 0.004 1 995 . 104 LYS CD C 29.534 0.000 1 996 . 104 LYS HD2 H 1.733 0.009 1 997 . 104 LYS HE2 H 3.048 0.011 1 998 . 104 LYS C C 178.806 0.000 1 999 . 105 GLU N N 115.981 0.000 1 1000 . 105 GLU H H 8.635 0.000 1 1001 . 105 GLU CA C 56.811 0.000 1 1002 . 105 GLU HA H 4.185 0.002 1 1003 . 105 GLU CB C 29.419 0.000 1 1004 . 105 GLU HB2 H 1.899 0.012 1 1005 . 105 GLU HB3 H 2.061 0.011 1 1006 . 105 GLU CG C 37.191 0.000 1 1007 . 105 GLU HG2 H 2.319 0.009 1 1008 . 105 GLU C C 176.980 0.000 1 1009 . 106 GLY N N 109.560 0.000 1 1010 . 106 GLY H H 7.658 0.000 1 1011 . 106 GLY CA C 47.022 0.000 1 1012 . 106 GLY HA2 H 3.830 0.000 1 1013 . 106 GLY HA3 H 3.630 0.000 1 1014 . 106 GLY C C 176.159 0.000 1 1015 . 107 ASN N N 120.859 0.000 1 1016 . 107 ASN H H 9.831 0.000 1 1017 . 107 ASN CA C 54.571 0.000 1 1018 . 107 ASN HA H 4.487 0.005 1 1019 . 107 ASN CB C 38.950 0.000 1 1020 . 107 ASN HB2 H 2.071 0.009 1 1021 . 107 ASN HB3 H 2.171 0.003 1 1022 . 107 ASN ND2 N 114.486 0.001 1 1023 . 107 ASN HD21 H 7.607 0.000 1 1024 . 107 ASN HD22 H 6.998 0.000 1 1025 . 107 ASN C C 176.641 0.000 1 1026 . 108 GLY N N 111.402 0.000 1 1027 . 108 GLY H H 10.862 0.000 1 1028 . 108 GLY CA C 45.110 0.000 1 1029 . 108 GLY HA2 H 4.320 0.000 1 1030 . 108 GLY HA3 H 3.630 0.000 1 1031 . 108 GLY C C 173.281 0.000 1 1032 . 109 TYR N N 114.231 0.000 1 1033 . 109 TYR H H 7.089 0.000 1 1034 . 109 TYR CA C 55.990 0.000 1 1035 . 109 TYR HA H 5.414 0.003 1 1036 . 109 TYR CB C 39.938 0.000 1 1037 . 109 TYR HB2 H 2.712 0.013 1 1038 . 109 TYR HB3 H 3.089 0.004 1 1039 . 109 TYR CD1 C 133.640 0.000 1 1040 . 109 TYR CE1 C 118.247 0.000 1 1041 . 109 TYR HE1 H 6.781 0.001 1 1042 . 109 TYR HD1 H 6.676 0.001 1 1043 . 109 TYR C C 172.949 0.000 1 1044 . 110 ILE N N 112.723 0.000 1 1045 . 110 ILE H H 8.990 0.000 1 1046 . 110 ILE CA C 59.043 0.000 1 1047 . 110 ILE HA H 4.802 0.017 1 1048 . 110 ILE CB C 41.703 0.000 1 1049 . 110 ILE HB H 1.828 0.004 1 1050 . 110 ILE HG2 H 0.472 0.004 1 1051 . 110 ILE CG2 C 17.503 0.000 1 1052 . 110 ILE CG1 C 25.706 0.000 1 1053 . 110 ILE HG12 H 1.103 0.007 1 1054 . 110 ILE HG13 H 1.404 0.007 1 1055 . 110 ILE HD1 H 0.646 0.004 1 1056 . 110 ILE CD1 C 13.674 0.000 1 1057 . 110 ILE C C 175.731 0.000 1 1058 . 111 SER N N 119.736 0.000 1 1059 . 111 SER H H 9.012 0.000 1 1060 . 111 SER CA C 57.942 0.000 1 1061 . 111 SER HA H 4.713 0.011 1 1062 . 111 SER CB C 64.294 0.000 1 1063 . 111 SER HB2 H 4.167 0.004 1 1064 . 111 SER HB3 H 4.574 0.003 1 1065 . 111 SER C C 176.017 0.000 1 1066 . 112 THR N N 111.996 0.000 1 1067 . 112 THR H H 8.345 0.000 1 1068 . 112 THR CA C 65.621 0.000 1 1069 . 112 THR HA H 4.331 0.000 1 1070 . 112 THR CB C 67.471 0.000 1 1071 . 112 THR HB H 3.818 0.005 1 1072 . 112 THR HG2 H 1.033 0.000 1 1073 . 112 THR C C 177.051 0.000 1 1074 . 113 ASP N N 120.961 0.000 1 1075 . 113 ASP H H 8.131 0.000 1 1076 . 113 ASP CA C 57.736 0.000 1 1077 . 113 ASP HA H 4.391 0.002 1 1078 . 113 ASP CB C 40.220 0.000 1 1079 . 113 ASP HB2 H 2.637 0.023 1 1080 . 113 ASP HB3 H 2.747 0.007 1 1081 . 113 ASP C C 178.778 0.000 1 1082 . 114 VAL N N 122.384 0.000 1 1083 . 114 VAL H H 7.607 0.000 1 1084 . 114 VAL CA C 66.302 0.000 1 1085 . 114 VAL HA H 3.785 0.002 1 1086 . 114 VAL CB C 31.325 0.000 1 1087 . 114 VAL HB H 2.125 0.006 1 1088 . 114 VAL HG1 H 1.110 0.001 1 1089 . 114 VAL HG2 H 0.889 0.002 1 1090 . 114 VAL CG1 C 23.451 0.000 1 1091 . 114 VAL CG2 C 21.848 0.000 1 1092 . 114 VAL C C 178.085 0.000 1 1093 . 115 MET N N 119.216 0.000 1 1094 . 115 MET H H 7.793 0.000 1 1095 . 115 MET CA C 56.905 0.000 1 1096 . 115 MET HA H 4.353 0.005 1 1097 . 115 MET CB C 33.796 0.000 1 1098 . 115 MET HB2 H 1.738 0.006 1 1099 . 115 MET HB3 H 2.378 0.004 1 1100 . 115 MET CG C 32.269 0.000 1 1101 . 115 MET HG2 H 2.780 0.003 1 1102 . 115 MET HG3 H 2.333 0.006 1 1103 . 115 MET C C 177.408 0.000 1 1104 . 116 ARG N N 118.397 0.000 1 1105 . 116 ARG H H 8.366 0.000 1 1106 . 116 ARG CA C 60.626 0.000 1 1107 . 116 ARG HA H 3.754 0.004 1 1108 . 116 ARG CB C 30.690 0.000 1 1109 . 116 ARG HB2 H 1.995 0.003 1 1110 . 116 ARG CG C 29.510 0.000 1 1111 . 116 ARG HG2 H 1.743 0.011 1 1112 . 116 ARG HG3 H 1.546 0.002 1 1113 . 116 ARG CD C 43.407 0.000 1 1114 . 116 ARG HD2 H 3.243 0.005 1 1115 . 116 ARG NE N 124.202 0.000 1 1116 . 116 ARG HE H 7.441 0.000 1 1117 . 116 ARG C C 177.496 0.000 1 1118 . 117 GLU N N 118.156 0.000 1 1119 . 117 GLU H H 7.305 0.000 1 1120 . 117 GLU CA C 59.274 0.000 1 1121 . 117 GLU CB C 29.207 0.000 1 1122 . 117 GLU HB2 H 2.249 0.019 1 1123 . 117 GLU HG2 H 2.529 0.019 1 1124 . 117 GLU C C 179.441 0.000 1 1125 . 118 ILE N N 120.983 0.000 1 1126 . 118 ILE H H 7.944 0.000 1 1127 . 118 ILE CA C 65.706 0.000 1 1128 . 118 ILE HA H 3.627 0.016 1 1129 . 118 ILE CB C 38.597 0.000 1 1130 . 118 ILE HB H 1.969 0.005 1 1131 . 118 ILE HG2 H 0.779 0.005 1 1132 . 118 ILE CG2 C 16.409 0.000 1 1133 . 118 ILE CG1 C 28.987 0.000 1 1134 . 118 ILE HG12 H 0.613 0.008 1 1135 . 118 ILE HG13 H 1.578 0.009 1 1136 . 118 ILE HD1 H 0.245 0.002 1 1137 . 118 ILE CD1 C 14.221 0.000 1 1138 . 118 ILE C C 178.959 0.000 1 1139 . 119 LEU N N 118.377 0.000 1 1140 . 119 LEU H H 8.057 0.000 1 1141 . 119 LEU CA C 57.770 0.000 1 1142 . 119 LEU HA H 3.892 0.004 1 1143 . 119 LEU CB C 41.985 0.000 1 1144 . 119 LEU HB2 H 1.898 0.002 1 1145 . 119 LEU HB3 H 1.233 0.007 1 1146 . 119 LEU HD1 H 0.837 0.019 1 1147 . 119 LEU HD2 H 0.769 0.004 1 1148 . 119 LEU C C 178.656 0.000 1 1149 . 120 ALA N N 119.969 0.000 1 1150 . 120 ALA H H 8.067 0.000 1 1151 . 120 ALA CA C 54.020 0.000 1 1152 . 120 ALA HA H 4.139 0.002 1 1153 . 120 ALA HB H 1.458 0.000 1 1154 . 120 ALA CB C 18.605 0.000 1 1155 . 120 ALA C C 179.387 0.000 1 1156 . 121 GLU N N 116.044 0.000 1 1157 . 121 GLU H H 7.543 0.000 1 1158 . 121 GLU CA C 57.979 0.000 1 1159 . 121 GLU HA H 4.083 0.019 1 1160 . 121 GLU CB C 29.419 0.000 1 1161 . 121 GLU C C 178.763 0.000 1 1162 . 122 LEU N N 119.492 0.000 1 1163 . 122 LEU H H 7.612 0.000 1 1164 . 122 LEU CA C 56.779 0.000 1 1165 . 122 LEU HA H 4.166 0.005 1 1166 . 122 LEU CB C 42.621 0.000 1 1167 . 122 LEU HB2 H 1.868 0.004 1 1168 . 122 LEU CG C 25.681 0.000 1 1169 . 122 LEU HG H 1.505 0.008 1 1170 . 122 LEU HD1 H 0.874 0.006 1 1171 . 122 LEU HD2 H 0.828 0.008 1 1172 . 122 LEU CD1 C 23.518 0.000 1 1173 . 122 LEU C C 177.999 0.000 1 1174 . 123 ASP N N 117.379 0.000 1 1175 . 123 ASP H H 7.718 0.000 1 1176 . 123 ASP CA C 53.527 0.000 1 1177 . 123 ASP HA H 4.688 0.015 1 1178 . 123 ASP CB C 40.644 0.000 1 1179 . 123 ASP HB2 H 2.897 0.014 1 1180 . 123 ASP HB3 H 2.406 0.004 1 1181 . 123 ASP C C 175.286 0.000 1 1182 . 124 GLU N N 124.374 0.000 1 1183 . 124 GLU H H 8.903 0.000 1 1184 . 124 GLU CA C 57.700 0.000 1 1185 . 124 GLU HA H 4.490 0.003 1 1186 . 124 GLU CB C 29.207 0.000 1 1187 . 124 GLU HB2 H 2.156 0.007 1 1188 . 124 GLU CG C 36.097 0.000 1 1189 . 124 GLU HG2 H 2.428 0.005 1 1190 . 124 GLU C C 177.023 0.000 1 1191 . 125 THR N N 110.980 0.000 1 1192 . 125 THR H H 8.588 0.000 1 1193 . 125 THR CA C 62.526 0.000 1 1194 . 125 THR HA H 4.418 0.010 1 1195 . 125 THR CB C 69.588 0.000 1 1196 . 125 THR HB H 4.333 0.018 1 1197 . 125 THR HG2 H 1.249 0.019 1 1198 . 125 THR C C 175.610 0.000 1 1199 . 126 LEU N N 122.376 0.000 1 1200 . 126 LEU H H 6.961 0.000 1 1201 . 126 LEU CA C 55.106 0.000 1 1202 . 126 LEU HA H 4.457 0.002 1 1203 . 126 LEU CB C 42.550 0.000 1 1204 . 126 LEU HB2 H 1.312 0.003 1 1205 . 126 LEU HB3 H 1.843 0.007 1 1206 . 126 LEU CG C 27.347 0.000 1 1207 . 126 LEU HG H 1.659 0.007 1 1208 . 126 LEU HD1 H 0.807 0.006 1 1209 . 126 LEU HD2 H 0.939 0.002 1 1210 . 126 LEU CD1 C 22.972 0.000 1 1211 . 126 LEU C C 177.390 0.000 1 1212 . 127 SER N N 121.620 0.000 1 1213 . 127 SER H H 9.483 0.000 1 1214 . 127 SER CA C 56.704 0.000 1 1215 . 127 SER HA H 4.600 0.003 1 1216 . 127 SER CB C 66.059 0.000 1 1217 . 127 SER HB2 H 4.410 0.004 1 1218 . 127 SER C C 174.840 0.000 1 1219 . 128 SER N N 115.826 0.000 1 1220 . 128 SER H H 8.959 0.000 1 1221 . 128 SER CA C 62.242 0.000 1 1222 . 128 SER HA H 4.071 0.019 1 1223 . 128 SER CB C 61.329 0.000 1 1224 . 128 SER C C 178.477 0.000 1 1225 . 129 GLU N N 119.675 0.000 1 1226 . 129 GLU H H 8.413 0.000 1 1227 . 129 GLU CA C 59.748 0.000 1 1228 . 129 GLU HA H 4.127 0.001 1 1229 . 129 GLU CB C 28.954 0.000 1 1230 . 129 GLU HB2 H 1.992 0.005 1 1231 . 129 GLU CG C 37.738 0.000 1 1232 . 129 GLU HG2 H 2.386 0.015 1 1233 . 129 GLU C C 179.721 0.000 1 1234 . 130 ASP N N 122.469 0.000 1 1235 . 130 ASP H H 7.950 0.000 1 1236 . 130 ASP CA C 57.185 0.000 1 1237 . 130 ASP HA H 4.397 0.003 1 1238 . 130 ASP CB C 41.183 0.000 1 1239 . 130 ASP HB2 H 3.019 0.002 1 1240 . 130 ASP C C 180.252 0.000 1 1241 . 131 LEU N N 121.055 0.000 1 1242 . 131 LEU H H 8.372 0.000 1 1243 . 131 LEU CA C 58.206 0.000 1 1244 . 131 LEU HA H 3.959 0.008 1 1245 . 131 LEU CB C 41.873 0.000 1 1246 . 131 LEU HB2 H 1.234 0.003 1 1247 . 131 LEU HB3 H 2.104 0.004 1 1248 . 131 LEU CG C 25.803 0.000 1 1249 . 131 LEU HG H 1.672 0.002 1 1250 . 131 LEU HD1 H 0.903 0.006 1 1251 . 131 LEU HD2 H 0.855 0.006 1 1252 . 131 LEU C C 178.496 0.000 1 1253 . 132 ASP N N 119.183 0.000 1 1254 . 132 ASP H H 8.224 0.000 1 1255 . 132 ASP CA C 57.980 0.000 1 1256 . 132 ASP HA H 4.195 0.006 1 1257 . 132 ASP CB C 40.271 0.000 1 1258 . 132 ASP HB2 H 2.716 0.005 1 1259 . 132 ASP HB3 H 2.853 0.004 1 1260 . 132 ASP C C 178.852 0.000 1 1261 . 133 ALA N N 121.619 0.000 1 1262 . 133 ALA H H 7.589 0.000 1 1263 . 133 ALA CA C 54.853 0.000 1 1264 . 133 ALA HA H 4.204 0.005 1 1265 . 133 ALA HB H 1.539 0.003 1 1266 . 133 ALA CB C 18.053 0.000 1 1267 . 133 ALA C C 180.707 0.000 1 1268 . 134 MET N N 118.689 0.000 1 1269 . 134 MET H H 8.190 0.000 1 1270 . 134 MET CA C 59.179 0.000 1 1271 . 134 MET HA H 4.153 0.004 1 1272 . 134 MET CB C 33.161 0.000 1 1273 . 134 MET HB2 H 2.028 0.013 1 1274 . 134 MET HB3 H 2.162 0.004 1 1275 . 134 MET CG C 32.816 0.000 1 1276 . 134 MET HG2 H 2.488 0.006 1 1277 . 134 MET HG3 H 2.826 0.003 1 1278 . 134 MET C C 178.870 0.000 1 1279 . 135 ILE N N 119.462 0.000 1 1280 . 135 ILE H H 8.446 0.000 1 1281 . 135 ILE CA C 62.621 0.000 1 1282 . 135 ILE HA H 3.653 0.006 1 1283 . 135 ILE CB C 34.996 0.000 1 1284 . 135 ILE HB H 2.238 0.017 1 1285 . 135 ILE HG2 H 0.913 0.001 1 1286 . 135 ILE CG2 C 18.050 0.000 1 1287 . 135 ILE CG1 C 27.894 0.000 1 1288 . 135 ILE HG12 H 1.414 0.007 1 1289 . 135 ILE HG13 H 1.723 0.008 1 1290 . 135 ILE HD1 H 0.647 0.001 1 1291 . 135 ILE CD1 C 9.846 0.000 1 1292 . 135 ILE C C 176.891 0.000 1 1293 . 136 ASP N N 118.221 0.000 1 1294 . 136 ASP H H 7.468 0.000 1 1295 . 136 ASP CA C 57.000 0.000 1 1296 . 136 ASP HA H 4.392 0.000 1 1297 . 136 ASP CB C 40.785 0.000 1 1298 . 136 ASP HB2 H 2.720 0.003 1 1299 . 136 ASP C C 177.746 0.000 1 1300 . 137 GLU N N 116.653 0.000 1 1301 . 137 GLU H H 7.273 0.000 1 1302 . 137 GLU CA C 58.169 0.000 1 1303 . 137 GLU HA H 4.023 0.012 1 1304 . 137 GLU CB C 30.055 0.000 1 1305 . 137 GLU HB2 H 2.125 0.001 1 1306 . 137 GLU CG C 35.550 0.000 1 1307 . 137 GLU HG2 H 2.356 0.000 1 1308 . 137 GLU C C 178.264 0.000 1 1309 . 138 ILE N N 119.368 0.000 1 1310 . 138 ILE H H 8.318 0.000 1 1311 . 138 ILE CA C 64.135 0.000 1 1312 . 138 ILE HA H 3.732 0.007 1 1313 . 138 ILE CB C 39.797 0.000 1 1314 . 138 ILE HB H 1.679 0.008 1 1315 . 138 ILE HG2 H 0.878 0.028 1 1316 . 138 ILE CG2 C 18.596 0.000 1 1317 . 138 ILE CG1 C 28.987 0.000 1 1318 . 138 ILE HG12 H 0.951 0.002 1 1319 . 138 ILE HG13 H 1.921 0.006 1 1320 . 138 ILE HD1 H 0.813 0.002 1 1321 . 138 ILE CD1 C 16.409 0.000 1 1322 . 138 ILE C C 178.157 0.000 1 1323 . 139 ASP N N 117.534 0.000 1 1324 . 139 ASP H H 8.304 0.000 1 1325 . 139 ASP CA C 52.094 0.000 1 1326 . 139 ASP HA H 4.887 0.002 1 1327 . 139 ASP CB C 38.314 0.000 1 1328 . 139 ASP HB2 H 1.983 0.000 1 1329 . 139 ASP HB3 H 2.924 0.000 1 1330 . 139 ASP C C 177.568 0.000 1 1331 . 140 ALA N N 128.579 0.000 1 1332 . 140 ALA H H 8.026 0.000 1 1333 . 140 ALA CA C 54.743 0.000 1 1334 . 140 ALA HA H 4.118 0.003 1 1335 . 140 ALA HB H 1.562 0.005 1 1336 . 140 ALA CB C 19.183 0.000 1 1337 . 140 ALA C C 178.479 0.000 1 1338 . 141 ASP N N 113.167 0.000 1 1339 . 141 ASP H H 7.974 0.000 1 1340 . 141 ASP CA C 51.991 0.000 1 1341 . 141 ASP HA H 4.683 0.004 1 1342 . 141 ASP CB C 39.726 0.000 1 1343 . 141 ASP HB2 H 2.734 0.010 1 1344 . 141 ASP HB3 H 3.086 0.009 1 1345 . 141 ASP C C 177.604 0.000 1 1346 . 142 GLY N N 109.687 0.000 1 1347 . 142 GLY H H 8.014 0.000 1 1348 . 142 GLY CA C 47.105 0.000 1 1349 . 142 GLY HA2 H 3.830 0.000 1 1350 . 142 GLY C C 175.339 0.000 1 1351 . 143 SER N N 115.671 0.000 1 1352 . 143 SER H H 8.406 0.000 1 1353 . 143 SER CA C 60.032 0.000 1 1354 . 143 SER HA H 4.152 0.007 1 1355 . 143 SER CB C 64.929 0.000 1 1356 . 143 SER HB2 H 3.843 0.005 1 1357 . 143 SER C C 176.231 0.000 1 1358 . 144 GLY N N 116.726 0.000 1 1359 . 144 GLY H H 10.853 0.000 1 1360 . 144 GLY CA C 45.695 0.000 1 1361 . 144 GLY HA2 H 4.140 0.000 1 1362 . 144 GLY HA3 H 3.520 0.000 1 1363 . 144 GLY C C 173.003 0.000 1 1364 . 145 THR N N 108.638 0.000 1 1365 . 145 THR H H 7.698 0.000 1 1366 . 145 THR CA C 58.484 0.000 1 1367 . 145 THR HA H 4.651 0.001 1 1368 . 145 THR CB C 73.259 0.000 1 1369 . 145 THR HB H 3.780 0.004 1 1370 . 145 THR HG2 H 0.673 0.005 1 1371 . 145 THR C C 172.325 0.000 1 1372 . 146 VAL N N 128.758 0.000 1 1373 . 146 VAL H H 9.889 0.000 1 1374 . 146 VAL CA C 61.382 0.000 1 1375 . 146 VAL HA H 5.119 0.004 1 1376 . 146 VAL CB C 32.384 0.000 1 1377 . 146 VAL HB H 2.181 0.004 1 1378 . 146 VAL HG1 H 1.262 0.005 1 1379 . 146 VAL HG2 H 0.706 0.003 1 1380 . 146 VAL CG1 C 21.313 0.000 1 1381 . 146 VAL CG2 C 21.313 0.000 1 1382 . 146 VAL C C 175.036 0.000 1 1383 . 147 ASP N N 127.663 0.000 1 1384 . 147 ASP H H 8.832 0.000 1 1385 . 147 ASP CA C 52.748 0.000 1 1386 . 147 ASP HA H 5.289 0.005 1 1387 . 147 ASP CB C 41.844 0.000 1 1388 . 147 ASP HB2 H 3.352 0.006 1 1389 . 147 ASP HB3 H 2.765 0.014 1 1390 . 147 ASP C C 179.173 0.000 1 1391 . 148 PHE N N 117.584 0.000 1 1392 . 148 PHE H H 8.481 0.000 1 1393 . 148 PHE CA C 62.378 0.000 1 1394 . 148 PHE HA H 3.295 0.002 1 1395 . 148 PHE CB C 39.358 0.000 1 1396 . 148 PHE HB2 H 2.658 0.004 1 1397 . 148 PHE HB3 H 2.495 0.000 1 1398 . 148 PHE CD1 C 131.553 0.000 1 1399 . 148 PHE CE1 C 130.770 0.000 1 1400 . 148 PHE CZ C 129.727 0.000 1 1401 . 148 PHE HZ H 7.252 0.003 1 1402 . 148 PHE HD1 H 6.583 0.001 1 1403 . 148 PHE HE1 H 7.178 0.001 1 1404 . 148 PHE C C 179.815 0.000 1 1405 . 149 GLU N N 118.768 0.000 1 1406 . 149 GLU H H 8.143 0.000 1 1407 . 149 GLU CA C 60.640 0.000 1 1408 . 149 GLU HA H 3.704 0.001 1 1409 . 149 GLU CB C 28.931 0.000 1 1410 . 149 GLU HB2 H 2.170 0.003 1 1411 . 149 GLU HB3 H 2.039 0.004 1 1412 . 149 GLU CG C 37.738 0.000 1 1413 . 149 GLU HG2 H 2.316 0.008 1 1414 . 149 GLU C C 180.600 0.000 1 1415 . 150 GLU N N 122.672 0.000 1 1416 . 150 GLU H H 8.727 0.000 1 1417 . 150 GLU CA C 59.018 0.092 1 1418 . 150 GLU HA H 4.021 0.009 1 1419 . 150 GLU CB C 29.638 0.289 1 1420 . 150 GLU HB2 H 2.113 0.007 1 1421 . 150 GLU HB3 H 2.465 0.005 1 1422 . 150 GLU CG C 37.191 0.000 1 1423 . 150 GLU HG2 H 2.972 0.012 1 1424 . 150 GLU C C 179.405 0.000 1 1425 . 151 PHE N N 121.211 0.000 1 1426 . 151 PHE H H 8.622 0.000 1 1427 . 151 PHE CA C 61.169 0.000 1 1428 . 151 PHE HA H 3.936 0.001 1 1429 . 151 PHE CB C 40.220 0.000 1 1430 . 151 PHE HB2 H 3.079 0.002 1 1431 . 151 PHE CD1 C 131.292 0.000 1 1432 . 151 PHE CE1 C 131.031 0.000 1 1433 . 151 PHE HD1 H 6.988 0.002 1 1434 . 151 PHE HE1 H 7.295 0.003 1 1435 . 151 PHE C C 176.659 0.000 1 1436 . 152 MET N N 118.505 0.000 1 1437 . 152 MET H H 8.786 0.000 1 1438 . 152 MET CA C 58.011 0.000 1 1439 . 152 MET HA H 3.757 0.004 1 1440 . 152 MET CB C 31.396 0.000 1 1441 . 152 MET HB2 H 1.896 0.003 1 1442 . 152 MET HG2 H 3.028 0.002 1 1443 . 152 MET C C 178.906 0.000 1 1444 . 153 GLY N N 106.185 0.000 1 1445 . 153 GLY H H 7.805 0.000 1 1446 . 153 GLY CA C 46.958 0.000 1 1447 . 153 GLY HA2 H 3.910 0.000 1 1448 . 153 GLY HA3 H 3.700 0.000 1 1449 . 153 GLY C C 175.256 0.000 1 1450 . 154 VAL N N 117.634 0.000 1 1451 . 154 VAL H H 7.101 0.000 1 1452 . 154 VAL CA C 63.095 0.000 1 1453 . 154 VAL HA H 4.155 0.004 1 1454 . 154 VAL CB C 32.243 0.000 1 1455 . 154 VAL HB H 1.991 0.004 1 1456 . 154 VAL HG1 H 0.874 0.005 1 1457 . 154 VAL HG2 H 0.954 0.008 1 1458 . 154 VAL CG1 C 20.245 0.000 1 1459 . 154 VAL CG2 C 22.916 0.000 1 1460 . 154 VAL C C 177.113 0.000 1 1461 . 155 MET N N 118.445 0.000 1 1462 . 155 MET H H 7.590 0.000 1 1463 . 155 MET CA C 55.510 0.000 1 1464 . 155 MET HA H 4.382 0.003 1 1465 . 155 MET CB C 31.608 0.000 1 1466 . 155 MET HB2 H 1.879 0.003 1 1467 . 155 MET HB3 H 1.506 0.012 1 1468 . 155 MET C C 177.461 0.000 1 1469 . 156 THR N N 109.640 0.000 1 1470 . 156 THR H H 7.677 0.000 1 1471 . 156 THR CA C 61.926 0.000 1 1472 . 156 THR HA H 4.431 0.000 1 1473 . 156 THR CB C 70.506 0.000 1 1474 . 156 THR HB H 4.331 0.000 1 1475 . 156 THR HG2 H 1.181 0.000 1 1476 . 156 THR CG2 C 21.633 0.000 1 1477 . 156 THR C C 177.033 0.000 1 1478 . 157 GLY N N 110.593 0.000 1 1479 . 157 GLY H H 7.859 0.000 1 1480 . 157 GLY CA C 45.764 0.000 1 1481 . 157 GLY HA2 H 4.010 0.000 1 1482 . 157 GLY C C 174.679 0.000 1 1483 . 158 GLY N N 109.076 0.000 1 1484 . 158 GLY H H 8.296 0.000 1 1485 . 158 GLY CA C 45.835 0.000 1 1486 . 158 GLY HA2 H 4.050 0.000 1 1487 . 158 GLY HA3 H 3.930 0.000 1 1488 . 158 GLY C C 173.915 0.000 1 1489 . 159 ASP N N 120.823 0.000 1 1490 . 159 ASP H H 8.318 0.000 1 1491 . 159 ASP CA C 54.316 0.000 1 1492 . 159 ASP HA H 4.670 0.006 1 1493 . 159 ASP CB C 41.209 0.000 1 1494 . 159 ASP HB2 H 2.715 0.002 1 1495 . 159 ASP HB3 H 2.586 0.005 1 1496 . 159 ASP C C 175.410 0.000 1 1497 . 160 GLU N N 125.780 0.000 1 1498 . 160 GLU H H 7.966 0.000 1 1499 . 160 GLU CA C 58.195 0.000 1 1500 . 160 GLU HA H 4.117 0.002 1 1501 . 160 GLU CB C 30.619 0.000 1 1502 . 160 GLU HB2 H 2.039 0.002 1 1503 . 160 GLU HB3 H 1.898 0.005 1 1504 . 160 GLU HG2 H 2.213 0.003 1 stop_ save_