data_5071 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complex of the C-Domain of Troponin C with Residues 1-40 of Troponin I ; _BMRB_accession_number 5071 _BMRB_flat_file_name bmr5071.str _Entry_type original _Submission_date 2001-07-09 _Accession_date 2001-07-09 _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 Mercier P. . . 2 Spyracopoulos L. . . 3 Sykes B. D. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 379 "13C chemical shifts" 228 "15N chemical shifts" 74 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2001-11-14 original author . stop_ _Original_release_date 2001-11-14 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure, Dynamics, and Thermodynamics of the Structural Domain of Troponin C in Complex with the Regulatory Peptide 1-40 of Troponin I ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21404978 _PubMed_ID 11513585 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mercier P. . . 2 Spyracopoulos L. . . 3 Sykes B. D. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 40 _Journal_issue 34 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 10063 _Page_last 10077 _Year 2001 _Details . loop_ _Keyword 'CA2+ binding protein' 'Troponin C' 'Troponin I' 'muscle contraction' stop_ save_ ################################## # Molecular system description # ################################## save_system_TROPONIN _Saveframe_category molecular_system _Mol_system_name 'troponin C, skeletal muscle' _Abbreviation_common Troponin _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'TROPONIN C' $TROPONIN_C 'TROPONIN I (1-40)' $TROPONIN_I 'CALCIUM ION I' $CA 'CALCIUM ION II' $CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state complex _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_TROPONIN_C _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'TROPONIN C' _Abbreviation_common TROPONIN _Molecular_mass . _Mol_thiol_state 'all free' _Details 'The terminal methionines are a cloning artifact.' ############################## # Polymer residue sequence # ############################## _Residue_count 77 _Mol_residue_sequence ; MMEDAKGKSEEELANCFRIF DKNADGFIDIEELGEILRAT GEHVIEEDIEDLMKDSDKNN DGRIDFDEFLKMMEGVQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 86 MET 2 87 MET 3 88 GLU 4 89 ASP 5 90 ALA 6 91 LYS 7 92 GLY 8 93 LYS 9 94 SER 10 95 GLU 11 96 GLU 12 97 GLU 13 98 LEU 14 99 ALA 15 100 ASN 16 101 CYS 17 102 PHE 18 103 ARG 19 104 ILE 20 105 PHE 21 106 ASP 22 107 LYS 23 108 ASN 24 109 ALA 25 110 ASP 26 111 GLY 27 112 PHE 28 113 ILE 29 114 ASP 30 115 ILE 31 116 GLU 32 117 GLU 33 118 LEU 34 119 GLY 35 120 GLU 36 121 ILE 37 122 LEU 38 123 ARG 39 124 ALA 40 125 THR 41 126 GLY 42 127 GLU 43 128 HIS 44 129 VAL 45 130 ILE 46 131 GLU 47 132 GLU 48 133 ASP 49 134 ILE 50 135 GLU 51 136 ASP 52 137 LEU 53 138 MET 54 139 LYS 55 140 ASP 56 141 SER 57 142 ASP 58 143 LYS 59 144 ASN 60 145 ASN 61 146 ASP 62 147 GLY 63 148 ARG 64 149 ILE 65 150 ASP 66 151 PHE 67 152 ASP 68 153 GLU 69 154 PHE 70 155 LEU 71 156 LYS 72 157 MET 73 158 MET 74 159 GLU 75 160 GLY 76 161 VAL 77 162 GLN 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 1A2X "Complex Of Troponin C With A 47 Residue (1-47) Fragment Of Troponin I" 100.00 47 100.00 100.00 2.46e-17 EMBL CAA24262 "unnamed protein product [Oryctolagus cuniculus]" 60.00 24 100.00 100.00 5.75e-07 EMBL CAA32392 "troponin I [Oryctolagus cuniculus]" 100.00 182 100.00 100.00 1.93e-16 EMBL CAB59981 "fast skeletal muscle troponin I [Homo sapiens]" 100.00 182 97.50 97.50 1.60e-15 GB AAA19813 "troponin I [Homo sapiens]" 100.00 182 97.50 97.50 1.60e-15 GB AAA31490 "troponin I [Oryctolagus cuniculus]" 100.00 182 100.00 100.00 1.93e-16 GB AAA40485 "troponin I [Mus musculus]" 72.50 182 100.00 100.00 8.42e-10 GB AAA42149 "troponin I [Rattus norvegicus]" 72.50 182 100.00 100.00 8.59e-10 GB AAB26824 "troponin I [Oryctolagus cuniculus]" 100.00 182 100.00 100.00 1.93e-16 PRF 1914142A "troponin I" 100.00 182 100.00 100.00 1.93e-16 REF NP_001076252 "troponin I, fast skeletal muscle [Oryctolagus cuniculus]" 100.00 182 100.00 100.00 1.93e-16 REF NP_001139301 "troponin I, fast skeletal muscle isoform 1 [Homo sapiens]" 100.00 182 97.50 97.50 1.60e-15 REF NP_001139313 "troponin I, fast skeletal muscle isoform 2 [Homo sapiens]" 90.00 182 97.22 97.22 1.34e-12 REF NP_001179023 "troponin I, fast skeletal muscle [Bos taurus]" 100.00 182 97.50 100.00 1.71e-15 REF NP_003273 "troponin I, fast skeletal muscle isoform 1 [Homo sapiens]" 100.00 182 97.50 97.50 1.60e-15 SP P02643 "RecName: Full=Troponin I, fast skeletal muscle; AltName: Full=Troponin I, fast-twitch isoform [Oryctolagus cuniculus]" 100.00 182 100.00 100.00 1.93e-16 SP P13412 "RecName: Full=Troponin I, fast skeletal muscle; AltName: Full=Troponin I, fast-twitch isoform [Mus musculus]" 72.50 182 100.00 100.00 8.42e-10 SP P27768 "RecName: Full=Troponin I, fast skeletal muscle; AltName: Full=Troponin I, fast-twitch isoform [Rattus norvegicus]" 72.50 182 100.00 100.00 8.59e-10 SP P48788 "RecName: Full=Troponin I, fast skeletal muscle; AltName: Full=Troponin I, fast-twitch isoform [Homo sapiens]" 100.00 182 97.50 97.50 1.60e-15 TPG DAA13498 "TPA: troponin I type 2 (skeletal, fast) [Bos taurus]" 100.00 182 97.50 100.00 1.71e-15 stop_ save_ save_TROPONIN_I _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'TROPONIN I' _Abbreviation_common TROPONIN _Molecular_mass . _Mol_thiol_state 'not present' _Details . _Residue_count 40 _Mol_residue_sequence ; GDEEKRNRAITARRQHLKSV MLQIAATELEKEEGRREAEK ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ASP 3 GLU 4 GLU 5 LYS 6 ARG 7 ASN 8 ARG 9 ALA 10 ILE 11 THR 12 ALA 13 ARG 14 ARG 15 GLN 16 HIS 17 LEU 18 LYS 19 SER 20 VAL 21 MET 22 LEU 23 GLN 24 ILE 25 ALA 26 ALA 27 THR 28 GLU 29 LEU 30 GLU 31 LYS 32 GLU 33 GLU 34 GLY 35 ARG 36 ARG 37 GLU 38 ALA 39 GLU 40 LYS stop_ _Sequence_homology_query_date 2008-08-19 _Sequence_homology_query_revised_last_date 2008-08-19 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 SWISS-PROT P13412 'Troponin I, fast skeletal muscle (Troponin I, fast-twitch isoform)' 72.50 182 100.00 100.00 6.50e-08 SWISS-PROT P27768 'Troponin I, fast skeletal muscle (Troponin I, fast-twitch isoform)' 72.50 182 100.00 100.00 6.61e-08 REF NP_058881 'troponin 1, type 2 [Rattus norvegicus]' 72.50 182 100.00 100.00 6.61e-08 SWISS-PROT P02643 'Troponin I, fast skeletal muscle (Troponin I, fast-twitch isoform)' 100.00 182 100.00 100.00 2.09e-13 REF NP_001076252 'troponin I [Oryctolagus cuniculus]' 100.00 182 100.00 100.00 2.09e-13 REF NP_033431 'troponin I, skeletal, fast 2 [Mus musculus]' 72.50 182 100.00 100.00 6.50e-08 GenBank AAH28515 'Troponin I, skeletal, fast 2 [Mus musculus]' 72.50 182 100.00 100.00 6.50e-08 PRF 1914142A 'troponin I' 100.00 182 100.00 100.00 2.09e-13 GenBank AAA42149 'troponin I' 72.50 182 100.00 100.00 6.61e-08 GenBank AAB26824 'troponin I; TnI [Oryctolagus cuniculus]' 100.00 182 100.00 100.00 2.09e-13 GenBank AAA31490 'troponin I' 100.00 182 100.00 100.00 2.09e-13 GenBank AAA40485 'troponin I' 72.50 182 100.00 100.00 6.50e-08 EMBL CAM23286 'troponin I, skeletal, fast 2 [Mus musculus]' 72.50 182 100.00 100.00 6.50e-08 EMBL CAM23287 'troponin I, skeletal, fast 2 [Mus musculus]' 72.50 135 100.00 100.00 5.46e-08 EMBL CAA32392 'troponin I [Oryctolagus cuniculus]' 100.00 182 100.00 100.00 2.09e-13 EMBL CAM23285 'troponin I, skeletal, fast 2 [Mus musculus]' 62.50 190 100.00 100.00 1.85e-05 PDB 1A2X 'Complex Of Troponin C With A 47 Residue (1-47) Fragment Of Troponin I' 100.00 47 100.00 100.00 3.39e-13 EMBL CAA24262 'unnamed protein product [Oryctolagus cuniculus]' 60.00 24 100.00 100.00 4.98e-05 stop_ save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type non-polymer _Name_common "CA (CALCIUM ION)" _BMRB_code . _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details ; Information obtained from PDB's Chemical Component Dictionary at http://wwpdb-remediation.rutgers.edu/downloads.html Downloaded on Mon Jun 20 11:33:06 2011 ; loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $TROPONIN_C Chicken 9031 Eukaryota Metazoa Gallus gallus 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 _Details $TROPONIN_C 'recombinant technology' 'E. coli' . . . . 'The terminal methionines are a cloning artifact.' 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 $TROPONIN_C 1.3 mM '[U-15N; U-13C]' $TROPONIN_I 1.9 mM . KCl 100 mM . Imidazole 10 mM . DSS 1 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR _Saveframe_category software _Name X-PLOR _Version 3.1 loop_ _Task refinement stop_ _Details 'Brunger, A.' save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version '1.8 Rev 2000.081.21.00' loop_ _Task processing stop_ _Details 'Delaglio, F.' save_ save_NMRview _Saveframe_category software _Name NMRview _Version 4.0.3 loop_ _Task 'data analysis' stop_ _Details 'Johnson, B.' save_ save_PIPP _Saveframe_category software _Name PIPP _Version 4.2 loop_ _Task 'data analysis' stop_ _Details 'Delaglio, F.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _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_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_HNHA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label $sample_1 save_ save_HNHB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _Sample_label $sample_1 save_ save_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample_1 save_ save_CBCACONNH_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONNH _Sample_label $sample_1 save_ save_DIPSI-HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name DIPSI-HSQC _Sample_label $sample_1 save_ save_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label $sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNHB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONNH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name DIPSI-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 . n/a temperature 303 . K 'ionic strength' 0.1 . M pressure 1 . atm 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.00 . direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'TROPONIN C' _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 GLU N N 120.6600 . 1 2 . 3 GLU H H 8.5300 . 1 3 . 3 GLU CA C 56.5350 . 1 4 . 3 GLU HA H 4.3700 . 1 5 . 3 GLU CB C 30.3920 . 1 6 . 3 GLU HB2 H 2.0860 . 1 7 . 3 GLU HB3 H 1.9600 . 1 8 . 3 GLU CG C 36.1050 . 1 9 . 3 GLU HG2 H 2.2940 . 2 10 . 4 ASP N N 121.8900 . 1 11 . 4 ASP H H 8.4300 . 1 12 . 4 ASP CA C 54.3680 . 1 13 . 4 ASP HA H 4.5730 . 1 14 . 4 ASP CB C 41.2730 . 1 15 . 4 ASP HB2 H 2.6990 . 1 16 . 4 ASP HB3 H 2.6160 . 1 17 . 5 ALA N N 124.6930 . 1 18 . 5 ALA H H 8.2300 . 1 19 . 5 ALA CA C 52.6270 . 1 20 . 5 ALA HA H 4.3350 . 1 21 . 5 ALA CB C 19.3320 . 1 22 . 5 ALA HB H 1.3900 . 1 23 . 6 LYS N N 120.6070 . 1 24 . 6 LYS H H 8.2800 . 1 25 . 6 LYS CA C 56.2850 . 1 26 . 6 LYS HA H 4.3350 . 1 27 . 6 LYS CB C 33.3140 . 1 28 . 6 LYS HB2 H 1.8480 . 1 29 . 6 LYS HB3 H 1.7670 . 1 30 . 6 LYS CG C 24.6830 . 1 31 . 6 LYS HG2 H 1.4620 . 2 32 . 6 LYS CD C 29.0080 . 1 33 . 6 LYS HD2 H 1.6960 . 2 34 . 6 LYS CE C 42.2600 . 1 35 . 6 LYS HE2 H 3.0220 . 2 36 . 7 GLY N N 109.3940 . 1 37 . 7 GLY H H 8.2200 . 1 38 . 7 GLY CA C 44.5670 . 1 39 . 7 GLY HA2 H 4.0070 . 2 40 . 8 LYS N N 121.3100 . 1 41 . 8 LYS H H 8.8770 . 1 42 . 8 LYS CA C 55.8410 . 1 43 . 8 LYS HA H 4.4510 . 1 44 . 8 LYS CB C 33.8370 . 1 45 . 8 LYS HB2 H 1.8210 . 2 46 . 8 LYS CG C 25.6030 . 1 47 . 8 LYS HG2 H 1.5740 . 1 48 . 8 LYS HG3 H 1.5270 . 1 49 . 8 LYS CD C 28.9330 . 1 50 . 8 LYS HD2 H 1.6470 . 2 51 . 8 LYS CE C 42.7300 . 1 52 . 8 LYS HE2 H 3.0250 . 2 53 . 9 SER N N 117.4750 . 1 54 . 9 SER H H 8.8780 . 1 55 . 9 SER CA C 57.7340 . 1 56 . 9 SER HA H 4.4780 . 1 57 . 9 SER CB C 65.2690 . 1 58 . 9 SER HB2 H 4.4150 . 1 59 . 9 SER HB3 H 4.0940 . 1 60 . 10 GLU N N 122.0130 . 1 61 . 10 GLU H H 8.9970 . 1 62 . 10 GLU CA C 60.5750 . 1 63 . 10 GLU HA H 3.9540 . 1 64 . 10 GLU CB C 29.3430 . 1 65 . 10 GLU HB2 H 2.1740 . 1 66 . 10 GLU HB3 H 2.0980 . 1 67 . 10 GLU CG C 37.0360 . 1 68 . 10 GLU HG2 H 2.5050 . 1 69 . 10 GLU HG3 H 2.3830 . 1 70 . 11 GLU N N 118.7200 . 1 71 . 11 GLU H H 8.5300 . 1 72 . 11 GLU CA C 59.6610 . 1 73 . 11 GLU HA H 4.1020 . 1 74 . 11 GLU CB C 29.4600 . 1 75 . 11 GLU HB2 H 2.1330 . 1 76 . 11 GLU HB3 H 1.9900 . 1 77 . 11 GLU CG C 36.5600 . 1 78 . 11 GLU HG2 H 2.3250 . 2 79 . 12 GLU N N 120.4820 . 1 80 . 12 GLU H H 7.8850 . 1 81 . 12 GLU CA C 59.4570 . 1 82 . 12 GLU HA H 4.1840 . 1 83 . 12 GLU CB C 30.1010 . 1 84 . 12 GLU HB2 H 2.3400 . 1 85 . 12 GLU HB3 H 2.0650 . 1 86 . 12 GLU CG C 37.3100 . 1 87 . 12 GLU HG2 H 2.4500 . 2 88 . 13 LEU N N 120.2730 . 1 89 . 13 LEU H H 8.7600 . 1 90 . 13 LEU CA C 58.4260 . 1 91 . 13 LEU HA H 4.3340 . 1 92 . 13 LEU CB C 41.2030 . 1 93 . 13 LEU HB2 H 2.2020 . 1 94 . 13 LEU HB3 H 1.5710 . 1 95 . 13 LEU CG C 27.3230 . 1 96 . 13 LEU HG H 1.8570 . 1 97 . 13 LEU CD1 C 23.0780 . 1 98 . 13 LEU HD1 H 0.8900 . 2 99 . 13 LEU CD2 C 26.6690 . 1 100 . 13 LEU HD2 H 0.7850 . 2 101 . 14 ALA N N 124.5000 . 1 102 . 14 ALA H H 9.0350 . 1 103 . 14 ALA CA C 55.8310 . 1 104 . 14 ALA HA H 4.1310 . 1 105 . 14 ALA CB C 17.4290 . 1 106 . 14 ALA HB H 1.4450 . 1 107 . 15 ASN N N 117.9430 . 1 108 . 15 ASN H H 7.6490 . 1 109 . 15 ASN CA C 55.9270 . 1 110 . 15 ASN HA H 4.5610 . 1 111 . 15 ASN CB C 38.2130 . 1 112 . 15 ASN HB3 H 3.0770 . 1 113 . 15 ASN HB2 H 2.7880 . 1 114 . 16 CYS N N 117.0740 . 1 115 . 16 CYS H H 7.8900 . 1 116 . 16 CYS CA C 63.2500 . 1 117 . 16 CYS HA H 3.6750 . 1 118 . 16 CYS CB C 26.3310 . 1 119 . 16 CYS HB3 H 3.4180 . 1 120 . 16 CYS HB2 H 2.3550 . 1 121 . 17 PHE N N 120.0250 . 1 122 . 17 PHE H H 8.6400 . 1 123 . 17 PHE CA C 62.3570 . 1 124 . 17 PHE HA H 3.1300 . 1 125 . 17 PHE CB C 39.5550 . 1 126 . 17 PHE HB2 H 3.0020 . 1 127 . 17 PHE HB3 H 2.7950 . 1 128 . 18 ARG N N 114.6120 . 1 129 . 18 ARG H H 7.4800 . 1 130 . 18 ARG CA C 58.8710 . 1 131 . 18 ARG HA H 3.9740 . 1 132 . 18 ARG CB C 29.8750 . 1 133 . 18 ARG HB2 H 2.0150 . 1 134 . 18 ARG HB3 H 1.8800 . 1 135 . 18 ARG CG C 27.4200 . 1 136 . 18 ARG HG2 H 1.7300 . 1 137 . 18 ARG HG3 H 1.6200 . 1 138 . 18 ARG CD C 43.2700 . 1 139 . 18 ARG HD2 H 3.2400 . 1 140 . 18 ARG HD3 H 3.1650 . 1 141 . 19 ILE N N 117.1360 . 1 142 . 19 ILE H H 7.0560 . 1 143 . 19 ILE CA C 61.7940 . 1 144 . 19 ILE HA H 3.7560 . 1 145 . 19 ILE CB C 36.5700 . 1 146 . 19 ILE HB H 1.8700 . 1 147 . 19 ILE CG1 C 27.8780 . 1 148 . 19 ILE HG12 H 1.4730 . 1 149 . 19 ILE HG13 H 1.3780 . 1 150 . 19 ILE CD1 C 11.3200 . 1 151 . 19 ILE HD1 H 0.7070 . 1 152 . 19 ILE CG2 C 17.7410 . 1 153 . 19 ILE HG2 H 0.7780 . 1 154 . 20 PHE N N 117.9920 . 1 155 . 20 PHE H H 7.1600 . 1 156 . 20 PHE CA C 56.4130 . 1 157 . 20 PHE HA H 4.4730 . 1 158 . 20 PHE CB C 39.0100 . 1 159 . 20 PHE HB2 H 2.8100 . 1 160 . 20 PHE HB3 H 2.6600 . 1 161 . 21 ASP N N 116.6160 . 1 162 . 21 ASP H H 7.7380 . 1 163 . 21 ASP CA C 52.0400 . 1 164 . 21 ASP HA H 4.3800 . 1 165 . 21 ASP CB C 38.3270 . 1 166 . 21 ASP HB2 H 2.4400 . 1 167 . 21 ASP HB3 H 1.4900 . 1 168 . 22 LYS N N 126.1430 . 1 169 . 22 LYS H H 7.4090 . 1 170 . 22 LYS CA C 59.1640 . 1 171 . 22 LYS HA H 3.9620 . 1 172 . 22 LYS CB C 33.0700 . 1 173 . 22 LYS HB2 H 1.9110 . 2 174 . 22 LYS CG C 24.6340 . 1 175 . 22 LYS HG2 H 1.6400 . 1 176 . 22 LYS HG3 H 1.5180 . 1 177 . 22 LYS CD C 28.9710 . 1 178 . 22 LYS HD2 H 1.7770 . 2 179 . 22 LYS CE C 41.7250 . 1 180 . 22 LYS HE2 H 3.0500 . 2 181 . 23 ASN N N 113.1220 . 1 182 . 23 ASN H H 7.9600 . 1 183 . 23 ASN CA C 51.6800 . 1 184 . 23 ASN HA H 4.7000 . 1 185 . 23 ASN CB C 37.0140 . 1 186 . 23 ASN HB2 H 3.3170 . 1 187 . 23 ASN HB3 H 2.8570 . 1 188 . 24 ALA N N 121.6770 . 1 189 . 24 ALA H H 7.8900 . 1 190 . 24 ALA CA C 53.2800 . 1 191 . 24 ALA HA H 4.0470 . 1 192 . 24 ALA CB C 16.9840 . 1 193 . 24 ALA HB H 1.3750 . 1 194 . 25 ASP N N 118.3620 . 1 195 . 25 ASP H H 8.5130 . 1 196 . 25 ASP CA C 53.2570 . 1 197 . 25 ASP HA H 4.6770 . 1 198 . 25 ASP CB C 40.9280 . 1 199 . 25 ASP HB2 H 3.2220 . 1 200 . 25 ASP HB3 H 2.4780 . 1 201 . 26 GLY N N 112.2100 . 1 202 . 26 GLY H H 10.4800 . 1 203 . 26 GLY CA C 44.8180 . 1 204 . 26 GLY HA2 H 4.0040 . 1 205 . 26 GLY HA3 H 3.4180 . 1 206 . 27 PHE N N 115.6450 . 1 207 . 27 PHE H H 8.0480 . 1 208 . 27 PHE CA C 55.7500 . 1 209 . 27 PHE HA H 5.5260 . 1 210 . 27 PHE CB C 43.9550 . 1 211 . 27 PHE HB3 H 2.7970 . 1 212 . 27 PHE HB2 H 2.6790 . 1 213 . 28 ILE N N 125.2870 . 1 214 . 28 ILE H H 10.0270 . 1 215 . 28 ILE CA C 60.7660 . 1 216 . 28 ILE HA H 4.8670 . 1 217 . 28 ILE CB C 39.3430 . 1 218 . 28 ILE HB H 1.8590 . 1 219 . 28 ILE CG1 C 26.6000 . 1 220 . 28 ILE HG12 H 1.1900 . 1 221 . 28 ILE HG13 H 0.2360 . 1 222 . 28 ILE CD1 C 15.7300 . 1 223 . 28 ILE HD1 H 0.5120 . 1 224 . 28 ILE CG2 C 17.7180 . 1 225 . 28 ILE HG2 H 0.8520 . 1 226 . 29 ASP N N 128.7770 . 1 227 . 29 ASP H H 9.0320 . 1 228 . 29 ASP CA C 52.2500 . 1 229 . 29 ASP HA H 4.9710 . 1 230 . 29 ASP CB C 42.0030 . 1 231 . 29 ASP HB3 H 3.4750 . 1 232 . 29 ASP HB2 H 2.4830 . 1 233 . 30 ILE N N 117.4330 . 1 234 . 30 ILE H H 8.9000 . 1 235 . 30 ILE CA C 64.0200 . 1 236 . 30 ILE HA H 3.9360 . 1 237 . 30 ILE CB C 38.6640 . 1 238 . 30 ILE HB H 1.9600 . 1 239 . 30 ILE CG1 C 30.4480 . 1 240 . 30 ILE HG12 H 1.4390 . 2 241 . 30 ILE CD1 C 14.6810 . 1 242 . 30 ILE HD1 H 0.9160 . 1 243 . 30 ILE CG2 C 17.7470 . 1 244 . 30 ILE HG2 H 0.9990 . 1 245 . 31 GLU N N 126.1620 . 1 246 . 31 GLU H H 8.0300 . 1 247 . 31 GLU CA C 59.4840 . 1 248 . 31 GLU HA H 4.1330 . 1 249 . 31 GLU CB C 29.0290 . 1 250 . 31 GLU HB2 H 2.1850 . 2 251 . 31 GLU CG C 36.6600 . 1 252 . 31 GLU HG2 H 2.3050 . 1 253 . 31 GLU HG3 H 2.2490 . 1 254 . 32 GLU N N 122.6130 . 1 255 . 32 GLU H H 8.8770 . 1 256 . 32 GLU CA C 59.0870 . 1 257 . 32 GLU HA H 3.9750 . 1 258 . 32 GLU CB C 29.6970 . 1 259 . 32 GLU HB2 H 2.4170 . 1 260 . 32 GLU HB3 H 2.0940 . 1 261 . 32 GLU CG C 37.3000 . 1 262 . 32 GLU HG2 H 2.8290 . 1 263 . 32 GLU HG3 H 2.2450 . 1 264 . 33 LEU N N 119.1280 . 1 265 . 33 LEU H H 8.7900 . 1 266 . 33 LEU CA C 57.8330 . 1 267 . 33 LEU HA H 3.9000 . 1 268 . 33 LEU CB C 42.4610 . 1 269 . 33 LEU HB2 H 1.8260 . 1 270 . 33 LEU HB3 H 1.4380 . 1 271 . 33 LEU CG C 26.7280 . 1 272 . 33 LEU HG H 1.5700 . 1 273 . 33 LEU CD1 C 26.3680 . 1 274 . 33 LEU HD1 H 0.8770 . 2 275 . 33 LEU CD2 C 23.3100 . 1 276 . 33 LEU HD2 H 0.8070 . 2 277 . 34 GLY N N 103.9080 . 1 278 . 34 GLY H H 8.1260 . 1 279 . 34 GLY CA C 47.8370 . 1 280 . 34 GLY HA2 H 4.0610 . 1 281 . 34 GLY HA3 H 3.6410 . 1 282 . 35 GLU N N 120.7930 . 1 283 . 35 GLU H H 7.9600 . 1 284 . 35 GLU CA C 59.5660 . 1 285 . 35 GLU HA H 3.9900 . 1 286 . 35 GLU CB C 29.6500 . 1 287 . 35 GLU HB2 H 2.1970 . 1 288 . 35 GLU HB3 H 2.1000 . 1 289 . 35 GLU CG C 36.5530 . 1 290 . 35 GLU HG2 H 2.4190 . 1 291 . 35 GLU HG3 H 2.2940 . 1 292 . 36 ILE N N 119.1240 . 1 293 . 36 ILE H H 7.9000 . 1 294 . 36 ILE CA C 64.0900 . 1 295 . 36 ILE HA H 3.7740 . 1 296 . 36 ILE CB C 38.3700 . 1 297 . 36 ILE HB H 1.7660 . 1 298 . 36 ILE CG1 C 28.1400 . 1 299 . 36 ILE HG12 H 1.6600 . 1 300 . 36 ILE HG13 H 1.0780 . 1 301 . 36 ILE CD1 C 13.6700 . 1 302 . 36 ILE HD1 H 0.4890 . 1 303 . 36 ILE CG2 C 18.5240 . 1 304 . 36 ILE HG2 H 0.5850 . 1 305 . 37 LEU N N 116.5400 . 1 306 . 37 LEU H H 7.8500 . 1 307 . 37 LEU CA C 57.4550 . 1 308 . 37 LEU HA H 4.0080 . 1 309 . 37 LEU CB C 41.8380 . 1 310 . 37 LEU HB3 H 1.8370 . 1 311 . 37 LEU HB2 H 1.3410 . 1 312 . 37 LEU CG C 27.8230 . 1 313 . 37 LEU HG H 1.7480 . 1 314 . 37 LEU CD1 C 26.3650 . 1 315 . 37 LEU HD1 H 0.8060 . 2 316 . 37 LEU CD2 C 24.1200 . 1 317 . 37 LEU HD2 H 0.7830 . 2 318 . 38 ARG N N 119.0100 . 1 319 . 38 ARG H H 8.4580 . 1 320 . 38 ARG CA C 59.3000 . 1 321 . 38 ARG HA H 4.1540 . 1 322 . 38 ARG CB C 30.0110 . 1 323 . 38 ARG HB2 H 1.8960 . 2 324 . 38 ARG CG C 29.5400 . 1 325 . 38 ARG HG2 H 1.5600 . 1 326 . 38 ARG HG3 H 1.8400 . 1 327 . 38 ARG CD C 43.3900 . 1 328 . 38 ARG HD2 H 3.2400 . 1 329 . 38 ARG HD3 H 3.1300 . 1 330 . 39 ALA N N 122.0730 . 1 331 . 39 ALA H H 7.7000 . 1 332 . 39 ALA CA C 53.7860 . 1 333 . 39 ALA HA H 4.3510 . 1 334 . 39 ALA CB C 18.5220 . 1 335 . 39 ALA HB H 1.6220 . 1 336 . 40 THR N N 107.2520 . 1 337 . 40 THR H H 7.4890 . 1 338 . 40 THR CA C 63.1680 . 1 339 . 40 THR HA H 4.2050 . 1 340 . 40 THR CB C 71.0230 . 1 341 . 40 THR HB H 4.3540 . 1 342 . 40 THR CG2 C 21.5410 . 1 343 . 40 THR HG2 H 1.4040 . 1 344 . 41 GLY N N 108.5880 . 1 345 . 41 GLY H H 7.8600 . 1 346 . 41 GLY CA C 45.4420 . 1 347 . 41 GLY HA2 H 4.2370 . 1 348 . 41 GLY HA3 H 3.8460 . 1 349 . 42 GLU N N 119.6650 . 1 350 . 42 GLU H H 7.8000 . 1 351 . 42 GLU CA C 55.5370 . 1 352 . 42 GLU HA H 4.2860 . 1 353 . 42 GLU CB C 30.4630 . 1 354 . 42 GLU HB2 H 2.0530 . 1 355 . 42 GLU HB3 H 1.7850 . 1 356 . 42 GLU CG C 36.4870 . 1 357 . 42 GLU HG2 H 2.1960 . 2 358 . 43 HIS CA C 56.4870 . 1 359 . 43 HIS HA H 4.6210 . 1 360 . 43 HIS CB C 28.6800 . 1 361 . 43 HIS HB2 H 3.1510 . 1 362 . 43 HIS HB3 H 3.0600 . 1 363 . 44 VAL N N 124.7720 . 1 364 . 44 VAL H H 7.8080 . 1 365 . 44 VAL CA C 60.9780 . 1 366 . 44 VAL HA H 4.3160 . 1 367 . 44 VAL CB C 34.3620 . 1 368 . 44 VAL HB H 1.9060 . 1 369 . 44 VAL CG1 C 22.3000 . 1 370 . 44 VAL HG1 H 0.8490 . 2 371 . 44 VAL CG2 C 20.6410 . 1 372 . 44 VAL HG2 H 0.7540 . 2 373 . 45 ILE N N 121.0250 . 1 374 . 45 ILE H H 8.7150 . 1 375 . 45 ILE CA C 59.7100 . 1 376 . 45 ILE HA H 4.7050 . 1 377 . 45 ILE CB C 40.5890 . 1 378 . 45 ILE HB H 2.2320 . 1 379 . 45 ILE CG1 C 26.3980 . 1 380 . 45 ILE HG12 H 1.3040 . 1 381 . 45 ILE HG13 H 1.1940 . 1 382 . 45 ILE CD1 C 13.6400 . 1 383 . 45 ILE HD1 H 0.9310 . 1 384 . 45 ILE CG2 C 17.8530 . 1 385 . 45 ILE HG2 H 0.8890 . 1 386 . 46 GLU N N 124.1420 . 1 387 . 46 GLU H H 8.9920 . 1 388 . 46 GLU CA C 60.8990 . 1 389 . 46 GLU HA H 3.8570 . 1 390 . 46 GLU CB C 29.0110 . 1 391 . 46 GLU HB2 H 2.0830 . 1 392 . 46 GLU HB3 H 2.0500 . 1 393 . 46 GLU CG C 36.4000 . 1 394 . 46 GLU HG2 H 2.3690 . 2 395 . 47 GLU N N 117.6630 . 1 396 . 47 GLU H H 9.3970 . 1 397 . 47 GLU CA C 60.3150 . 1 398 . 47 GLU HA H 4.0420 . 1 399 . 47 GLU CB C 29.3340 . 1 400 . 47 GLU HB2 H 1.9680 . 2 401 . 47 GLU CG C 37.1280 . 1 402 . 47 GLU HG2 H 2.4130 . 1 403 . 47 GLU HG3 H 2.3090 . 1 404 . 48 ASP N N 118.8500 . 1 405 . 48 ASP H H 7.5460 . 1 406 . 48 ASP CA C 57.4100 . 1 407 . 48 ASP HA H 4.4670 . 1 408 . 48 ASP CB C 41.8880 . 1 409 . 48 ASP HB3 H 3.1610 . 1 410 . 48 ASP HB2 H 2.4640 . 1 411 . 49 ILE N N 121.1780 . 1 412 . 49 ILE H H 7.1850 . 1 413 . 49 ILE CA C 65.0060 . 1 414 . 49 ILE HA H 3.3730 . 1 415 . 49 ILE CB C 38.0380 . 1 416 . 49 ILE HB H 2.0660 . 1 417 . 49 ILE CG1 C 29.2350 . 1 418 . 49 ILE HG12 H 1.6100 . 1 419 . 49 ILE HG13 H 0.8900 . 1 420 . 49 ILE CD1 C 13.7190 . 1 421 . 49 ILE HD1 H 0.8290 . 1 422 . 49 ILE CG2 C 18.0500 . 1 423 . 49 ILE HG2 H 0.8700 . 1 424 . 50 GLU N N 118.3250 . 1 425 . 50 GLU H H 8.2440 . 1 426 . 50 GLU CA C 59.6290 . 1 427 . 50 GLU HA H 3.8580 . 1 428 . 50 GLU CB C 29.6570 . 1 429 . 50 GLU HB2 H 2.0340 . 2 430 . 50 GLU CG C 36.3440 . 1 431 . 50 GLU HG2 H 2.3770 . 1 432 . 50 GLU HG3 H 2.2050 . 1 433 . 51 ASP N N 118.1420 . 1 434 . 51 ASP H H 7.9620 . 1 435 . 51 ASP CA C 58.0620 . 1 436 . 51 ASP HA H 4.3520 . 1 437 . 51 ASP CB C 43.1260 . 1 438 . 51 ASP HB3 H 2.8410 . 1 439 . 51 ASP HB2 H 2.6340 . 1 440 . 52 LEU N N 119.5100 . 1 441 . 52 LEU H H 7.6240 . 1 442 . 52 LEU CA C 58.1700 . 1 443 . 52 LEU HA H 3.9650 . 1 444 . 52 LEU CB C 42.0770 . 1 445 . 52 LEU HB2 H 1.7840 . 2 446 . 52 LEU CG C 27.1350 . 1 447 . 52 LEU HG H 1.5850 . 1 448 . 52 LEU CD1 C 24.5840 . 1 449 . 52 LEU HD1 H 0.9400 . 2 450 . 52 LEU CD2 C 26.5840 . 1 451 . 52 LEU HD2 H 0.8870 . 2 452 . 53 MET N N 120.2960 . 1 453 . 53 MET H H 8.4000 . 1 454 . 53 MET CA C 58.0570 . 1 455 . 53 MET HA H 4.3450 . 1 456 . 53 MET CB C 30.8900 . 1 457 . 53 MET HB2 H 2.2440 . 1 458 . 53 MET HB3 H 1.8500 . 1 459 . 53 MET CG C 31.8500 . 1 460 . 53 MET HG2 H 2.6100 . 1 461 . 53 MET HG3 H 2.4000 . 1 462 . 53 MET CE C 17.0100 . 1 463 . 53 MET HE H 1.9670 . 1 464 . 54 LYS N N 118.7600 . 1 465 . 54 LYS H H 8.5210 . 1 466 . 54 LYS CA C 59.4100 . 1 467 . 54 LYS HA H 4.0800 . 1 468 . 54 LYS CB C 32.0980 . 1 469 . 54 LYS HB2 H 1.9420 . 2 470 . 54 LYS CG C 25.4500 . 1 471 . 54 LYS HG2 H 1.6100 . 1 472 . 54 LYS HG3 H 1.4750 . 1 473 . 54 LYS CD C 29.0700 . 1 474 . 54 LYS HD2 H 1.7190 . 2 475 . 54 LYS CE C 41.9900 . 1 476 . 54 LYS HE2 H 2.9980 . 2 477 . 55 ASP N N 115.1480 . 1 478 . 55 ASP H H 8.1230 . 1 479 . 55 ASP CA C 57.2240 . 1 480 . 55 ASP HA H 4.3680 . 1 481 . 55 ASP CB C 43.4730 . 1 482 . 55 ASP HB3 H 2.6520 . 1 483 . 55 ASP HB2 H 2.3780 . 1 484 . 56 SER N N 109.8100 . 1 485 . 56 SER H H 7.3650 . 1 486 . 56 SER CA C 59.5460 . 1 487 . 56 SER HA H 4.4750 . 1 488 . 56 SER CB C 65.0800 . 1 489 . 56 SER HB2 H 4.0530 . 1 490 . 56 SER HB3 H 3.8460 . 1 491 . 57 ASP N N 121.4730 . 1 492 . 57 ASP H H 8.2440 . 1 493 . 57 ASP CA C 53.3700 . 1 494 . 57 ASP HA H 4.5590 . 1 495 . 57 ASP CB C 39.9980 . 1 496 . 57 ASP HB2 H 2.9430 . 1 497 . 57 ASP HB3 H 2.5220 . 1 498 . 58 LYS N N 124.6170 . 1 499 . 58 LYS H H 7.8800 . 1 500 . 58 LYS CA C 56.3550 . 1 501 . 58 LYS HA H 4.2800 . 1 502 . 58 LYS CB C 32.2400 . 1 503 . 58 LYS HB2 H 1.9600 . 2 504 . 58 LYS CG C 24.1500 . 1 505 . 58 LYS HG2 H 1.6100 . 1 506 . 58 LYS HG3 H 1.5500 . 1 507 . 58 LYS CD C 27.7230 . 1 508 . 58 LYS HD2 H 1.6320 . 2 509 . 58 LYS CE C 42.4800 . 1 510 . 58 LYS HE2 H 3.0300 . 2 511 . 59 ASN N N 114.4480 . 1 512 . 59 ASN H H 8.1060 . 1 513 . 59 ASN CA C 51.7450 . 1 514 . 59 ASN HA H 4.8740 . 1 515 . 59 ASN CB C 37.1880 . 1 516 . 59 ASN HB2 H 3.3210 . 1 517 . 59 ASN HB3 H 2.8470 . 1 518 . 60 ASN N N 115.4060 . 1 519 . 60 ASN H H 7.7530 . 1 520 . 60 ASN CA C 55.0300 . 1 521 . 60 ASN HA H 4.4930 . 1 522 . 60 ASN CB C 37.6890 . 1 523 . 60 ASN HB2 H 3.0850 . 1 524 . 60 ASN HB3 H 2.6830 . 1 525 . 61 ASP N N 118.0700 . 1 526 . 61 ASP H H 8.5330 . 1 527 . 61 ASP CA C 52.9450 . 1 528 . 61 ASP HA H 4.7290 . 1 529 . 61 ASP CB C 40.8710 . 1 530 . 61 ASP HB2 H 2.9860 . 1 531 . 61 ASP HB3 H 2.4090 . 1 532 . 62 GLY N N 113.0100 . 1 533 . 62 GLY H H 10.3380 . 1 534 . 62 GLY CA C 45.8420 . 1 535 . 62 GLY HA2 H 4.0360 . 1 536 . 62 GLY HA3 H 3.4990 . 1 537 . 63 ARG N N 116.0280 . 1 538 . 63 ARG H H 7.7700 . 1 539 . 63 ARG CA C 54.0430 . 1 540 . 63 ARG HA H 4.8800 . 1 541 . 63 ARG CB C 34.3790 . 1 542 . 63 ARG HB2 H 1.6110 . 1 543 . 63 ARG HB3 H 1.4950 . 1 544 . 63 ARG CG C 25.8550 . 1 545 . 63 ARG HG2 H 1.2480 . 2 546 . 63 ARG CD C 43.1020 . 1 547 . 63 ARG HD2 H 2.4650 . 1 548 . 63 ARG HD3 H 2.1390 . 1 549 . 64 ILE N N 125.6900 . 1 550 . 64 ILE H H 9.3180 . 1 551 . 64 ILE CA C 60.4860 . 1 552 . 64 ILE HA H 5.1880 . 1 553 . 64 ILE CB C 40.5770 . 1 554 . 64 ILE HB H 2.1320 . 1 555 . 64 ILE CG1 C 28.4400 . 1 556 . 64 ILE HG12 H 1.8000 . 1 557 . 64 ILE HG13 H 0.8300 . 1 558 . 64 ILE CD1 C 14.3200 . 1 559 . 64 ILE HD1 H 0.9470 . 1 560 . 64 ILE CG2 C 18.5270 . 1 561 . 64 ILE HG2 H 1.3540 . 1 562 . 65 ASP N N 128.3850 . 1 563 . 65 ASP H H 9.2630 . 1 564 . 65 ASP CA C 52.4280 . 1 565 . 65 ASP HA H 5.3340 . 1 566 . 65 ASP CB C 42.0340 . 1 567 . 65 ASP HB3 H 3.2530 . 1 568 . 65 ASP HB2 H 2.9300 . 1 569 . 66 PHE N N 118.5470 . 1 570 . 66 PHE H H 8.7540 . 1 571 . 66 PHE CA C 61.7960 . 1 572 . 66 PHE HA H 3.6090 . 1 573 . 66 PHE CB C 38.4380 . 1 574 . 66 PHE HB2 H 2.5610 . 1 575 . 66 PHE HB3 H 2.2460 . 1 576 . 67 ASP N N 118.5680 . 1 577 . 67 ASP H H 7.8160 . 1 578 . 67 ASP CA C 58.0290 . 1 579 . 67 ASP HA H 4.1290 . 1 580 . 67 ASP CB C 40.9560 . 1 581 . 67 ASP HB3 H 2.7300 . 1 582 . 67 ASP HB2 H 2.6180 . 1 583 . 68 GLU N N 120.0120 . 1 584 . 68 GLU H H 8.8360 . 1 585 . 68 GLU CA C 58.5570 . 1 586 . 68 GLU HA H 3.9920 . 1 587 . 68 GLU CB C 29.9960 . 1 588 . 68 GLU HB2 H 2.6700 . 1 589 . 68 GLU HB3 H 2.2040 . 1 590 . 68 GLU CG C 37.4050 . 1 591 . 68 GLU HG2 H 3.0240 . 1 592 . 68 GLU HG3 H 2.2750 . 1 593 . 69 PHE N N 125.7380 . 1 594 . 69 PHE H H 9.2530 . 1 595 . 69 PHE CA C 61.0380 . 1 596 . 69 PHE HA H 4.1610 . 1 597 . 69 PHE CB C 40.0710 . 1 598 . 69 PHE HB2 H 3.3700 . 1 599 . 69 PHE HB3 H 3.3300 . 1 600 . 70 LEU N N 119.1370 . 1 601 . 70 LEU H H 8.2400 . 1 602 . 70 LEU CA C 58.1910 . 1 603 . 70 LEU HA H 3.5570 . 1 604 . 70 LEU CB C 41.4350 . 1 605 . 70 LEU HB3 H 1.7600 . 1 606 . 70 LEU HB2 H 1.2010 . 1 607 . 70 LEU CG C 25.7380 . 1 608 . 70 LEU HG H 0.9950 . 1 609 . 70 LEU CD1 C 24.1080 . 1 610 . 70 LEU HD1 H 0.6780 . 2 611 . 70 LEU CD2 C 25.7200 . 1 612 . 70 LEU HD2 H 0.6260 . 2 613 . 71 LYS N N 116.5270 . 1 614 . 71 LYS H H 7.1420 . 1 615 . 71 LYS CA C 58.4470 . 1 616 . 71 LYS HA H 4.0420 . 1 617 . 71 LYS CB C 32.0080 . 1 618 . 71 LYS HB2 H 1.8790 . 1 619 . 71 LYS HB3 H 1.8400 . 1 620 . 71 LYS CG C 25.0630 . 1 621 . 71 LYS HG2 H 1.5550 . 1 622 . 71 LYS HG3 H 1.4920 . 1 623 . 71 LYS CD C 28.5680 . 1 624 . 71 LYS HD2 H 1.6570 . 2 625 . 71 LYS CE C 42.1600 . 1 626 . 71 LYS HE2 H 2.9800 . 2 627 . 72 MET N N 120.1600 . 1 628 . 72 MET H H 8.5200 . 1 629 . 72 MET CA C 58.2970 . 1 630 . 72 MET HA H 4.2520 . 1 631 . 72 MET CB C 32.8730 . 1 632 . 72 MET HB2 H 2.3200 . 1 633 . 72 MET HB3 H 2.2400 . 1 634 . 72 MET CG C 31.8000 . 1 635 . 72 MET HG2 H 3.1000 . 1 636 . 72 MET HG3 H 2.3700 . 1 637 . 72 MET CE C 17.9400 . 1 638 . 72 MET HE H 2.0200 . 1 639 . 73 MET N N 113.0020 . 1 640 . 73 MET H H 7.2800 . 1 641 . 73 MET CA C 53.5190 . 1 642 . 73 MET HA H 4.4920 . 1 643 . 73 MET CB C 31.7170 . 1 644 . 73 MET HB2 H 2.0800 . 1 645 . 73 MET HB3 H 1.6300 . 1 646 . 73 MET CE C 17.9400 . 1 647 . 73 MET HE H 2.1600 . 1 648 . 74 GLU N N 124.1180 . 1 649 . 74 GLU H H 7.1950 . 1 650 . 74 GLU CA C 58.4420 . 1 651 . 74 GLU HA H 4.0690 . 1 652 . 74 GLU CB C 29.4570 . 1 653 . 74 GLU HB2 H 2.1350 . 1 654 . 74 GLU HB3 H 2.0000 . 1 655 . 74 GLU CG C 36.0950 . 1 656 . 74 GLU HG2 H 2.3900 . 1 657 . 74 GLU HG3 H 2.2100 . 1 658 . 75 GLY N N 114.0250 . 1 659 . 75 GLY H H 8.8940 . 1 660 . 75 GLY CA C 45.8400 . 1 661 . 75 GLY HA2 H 4.0460 . 1 662 . 75 GLY HA3 H 3.7180 . 1 663 . 76 VAL N N 121.5020 . 1 664 . 76 VAL H H 7.5360 . 1 665 . 76 VAL CA C 63.4660 . 1 666 . 76 VAL HA H 3.9070 . 1 667 . 76 VAL CB C 32.1240 . 1 668 . 76 VAL HB H 2.0130 . 1 669 . 76 VAL CG1 C 22.7030 . 1 670 . 76 VAL HG1 H 0.9120 . 2 671 . 76 VAL CG2 C 21.5270 . 1 672 . 76 VAL HG2 H 0.9150 . 2 673 . 77 GLN N N 130.1120 . 1 674 . 77 GLN H H 7.8800 . 1 675 . 77 GLN CA C 57.0480 . 1 676 . 77 GLN HA H 4.2100 . 1 677 . 77 GLN CB C 30.9860 . 1 678 . 77 GLN HB2 H 2.0970 . 1 679 . 77 GLN HB3 H 1.8940 . 1 680 . 77 GLN CG C 34.3060 . 1 681 . 77 GLN HG2 H 2.2770 . 2 stop_ save_