data_15760 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of a cytoskeletal protein complex ; _BMRB_accession_number 15760 _BMRB_flat_file_name bmr15760.str _Entry_type new _Submission_date 2008-05-06 _Accession_date 2008-05-06 _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 Wang Xiaoxia . . 2 Fukuda Koichi . . 3 Byeon In-Ja . . 4 Velyvis Algirdas . . 5 Wu Chuanyue . . 6 Gronenborn Angela . . 7 Qin Jun . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 858 "13C chemical shifts" 500 "15N chemical shifts" 139 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 update BMRB 'update entity/assembly name' 2008-11-12 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The structure of alpha-parvin CH2-paxillin LD1 complex reveals a novel modular recognition for focal adhesion assembly ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18508764 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Xiaoxia . . 2 Fukuda Koichi . . 3 Byeon In-Ja . . 4 Velyvis Algirdas . . 5 Wu Chuanyue . . 6 Gronenborn Angela . . 7 Qin Jun . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 283 _Journal_issue 30 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 21113 _Page_last 21119 _Year 2008 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'alpha-parvin CH2-paxillin LD1 complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label alpha-parvin $entity_1 LD1 $entity_2 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common alpha-parvin _Molecular_mass 15011.396 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; RHERDAFDTLFDHAPDKLNV VKKTLITFVNKHLNKLNLEV TELETQFADGVYLVLLMGLL EGYFVPLHSFFLTPDSFEQK VLNVSFAFELMQDGGLEKPK PRPEDIVNCDLKSTLRVLYN LFTKYRNVE ; loop_ _Residue_seq_code _Residue_label 1 ARG 2 HIS 3 GLU 4 ARG 5 ASP 6 ALA 7 PHE 8 ASP 9 THR 10 LEU 11 PHE 12 ASP 13 HIS 14 ALA 15 PRO 16 ASP 17 LYS 18 LEU 19 ASN 20 VAL 21 VAL 22 LYS 23 LYS 24 THR 25 LEU 26 ILE 27 THR 28 PHE 29 VAL 30 ASN 31 LYS 32 HIS 33 LEU 34 ASN 35 LYS 36 LEU 37 ASN 38 LEU 39 GLU 40 VAL 41 THR 42 GLU 43 LEU 44 GLU 45 THR 46 GLN 47 PHE 48 ALA 49 ASP 50 GLY 51 VAL 52 TYR 53 LEU 54 VAL 55 LEU 56 LEU 57 MET 58 GLY 59 LEU 60 LEU 61 GLU 62 GLY 63 TYR 64 PHE 65 VAL 66 PRO 67 LEU 68 HIS 69 SER 70 PHE 71 PHE 72 LEU 73 THR 74 PRO 75 ASP 76 SER 77 PHE 78 GLU 79 GLN 80 LYS 81 VAL 82 LEU 83 ASN 84 VAL 85 SER 86 PHE 87 ALA 88 PHE 89 GLU 90 LEU 91 MET 92 GLN 93 ASP 94 GLY 95 GLY 96 LEU 97 GLU 98 LYS 99 PRO 100 LYS 101 PRO 102 ARG 103 PRO 104 GLU 105 ASP 106 ILE 107 VAL 108 ASN 109 CYS 110 ASP 111 LEU 112 LYS 113 SER 114 THR 115 LEU 116 ARG 117 VAL 118 LEU 119 TYR 120 ASN 121 LEU 122 PHE 123 THR 124 LYS 125 TYR 126 ARG 127 ASN 128 VAL 129 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 BMRB 15899 C-terminal_CH_domain_of_alpha-parvin 100.00 135 100.00 100.00 1.16e-86 PDB 2K2R "The Nmr Structure Of Alpha-Parvin Ch2PAXILLIN LD1 COMPLEX" 100.00 129 100.00 100.00 8.10e-87 PDB 2VZC "Crystal Structure Of The C-Terminal Calponin Homology Domain Of Alpha Parvin" 100.00 131 100.00 100.00 8.01e-87 PDB 2VZD "Crystal Structure Of The C-Terminal Calponin Homology Domain Of Alpha Parvin In Complex With Paxillin Ld1 Motif" 100.00 131 100.00 100.00 8.01e-87 PDB 2VZG "Crystal Structure Of The C-Terminal Calponin Homology Domain Of Alpha-Parvin In Complex With Paxillin Ld2 Motif" 100.00 131 100.00 100.00 8.01e-87 PDB 2VZI "Crystal Structure Of The C-Terminal Calponin Homology Domain Of Alpha-Parvin In Complex With Paxillin Ld4 Motif" 100.00 131 100.00 100.00 8.01e-87 PDB 3KMU "Crystal Structure Of The IlkALPHA-Parvin Core Complex (Apo)" 96.90 129 98.40 98.40 5.26e-81 PDB 3KMW "Crystal Structure Of The IlkALPHA-Parvin Core Complex (Mgatp)" 96.90 129 100.00 100.00 3.71e-83 PDB 3REP "Crystal Structure Of The IlkALPHA-Parvin Core Complex (Mnatp)" 96.90 129 100.00 100.00 3.71e-83 DBJ BAA91815 "unnamed protein product [Homo sapiens]" 100.00 372 100.00 100.00 7.10e-86 DBJ BAA97981 "unnamed protein product [Mus musculus]" 100.00 372 100.00 100.00 9.10e-86 DBJ BAC36771 "unnamed protein product [Mus musculus]" 100.00 372 100.00 100.00 8.17e-86 DBJ BAE28686 "unnamed protein product [Mus musculus]" 100.00 336 100.00 100.00 7.52e-86 DBJ BAG73514 "parvin, alpha [synthetic construct]" 100.00 372 100.00 100.00 7.10e-86 GB AAG09802 "actopaxin [Rattus norvegicus]" 100.00 372 100.00 100.00 9.20e-86 GB AAG09803 "actopaxin [Mus musculus]" 100.00 372 100.00 100.00 8.44e-86 GB AAG27173 "alpha-parvin [Homo sapiens]" 100.00 372 100.00 100.00 7.10e-86 GB AAG27175 "alpha-parvin [Mus musculus]" 100.00 372 100.00 100.00 8.44e-86 GB AAH14535 "Parvin, alpha [Homo sapiens]" 100.00 372 100.00 100.00 6.23e-86 REF NP_001092614 "alpha-parvin [Bos taurus]" 100.00 372 100.00 100.00 7.41e-86 REF NP_060692 "alpha-parvin [Homo sapiens]" 100.00 412 100.00 100.00 9.01e-86 REF NP_065631 "alpha-parvin [Mus musculus]" 100.00 372 100.00 100.00 8.44e-86 REF NP_065707 "alpha-parvin [Rattus norvegicus]" 100.00 372 100.00 100.00 9.20e-86 REF XP_001091788 "PREDICTED: alpha-parvin-like [Macaca mulatta]" 100.00 364 100.00 100.00 2.13e-85 SP Q9EPC1 "RecName: Full=Alpha-parvin; AltName: Full=Actopaxin" 100.00 372 100.00 100.00 8.44e-86 SP Q9HB97 "RecName: Full=Alpha-parvin; AltName: Full=Actopaxin" 100.00 372 100.00 100.00 9.20e-86 SP Q9NVD7 "RecName: Full=Alpha-parvin; AltName: Full=Actopaxin; AltName: Full=CH-ILKBP; AltName: Full=Calponin-like integrin-linked kinase" 100.00 372 100.00 100.00 7.10e-86 TPG DAA22326 "TPA: parvin, alpha-like [Bos taurus]" 80.62 439 100.00 100.00 1.02e-65 stop_ save_ save_entity_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common LD1 _Molecular_mass 1087.189 _Mol_thiol_state 'not present' _Details . _Residue_count 10 _Mol_residue_sequence DLDALLADLE loop_ _Residue_seq_code _Residue_label 1 ASP 2 LEU 3 ASP 4 ALA 5 LEU 6 LEU 7 ALA 8 ASP 9 LEU 10 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens $entity_2 Human 9606 Eukaryota Metazoa Homo sapiens 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 $entity_1 'recombinant technology' . . . . pET3a $entity_2 'chemical synthesis' . . . . . 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 $entity_1 0.25 mM '[U-13C; U-15N]' $entity_2 0.25 mM '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name X-PLOR_NIH _Version . loop_ _Vendor _Address _Electronic_address Brunger . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model N/A _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 288 . K pH 7.2 . pH pressure 1 . atm 'ionic strength' 130 . mM stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis . H 1 . ppm . . . . . . . C 13 . ppm . . . . . . . N 15 . ppm . . . . . . stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $X-PLOR_NIH stop_ loop_ _Experiment_label '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '3D 1H-15N NOESY' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name alpha-parvin _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ARG H H 7.9700 . 1 2 1 1 ARG HA H 4.6900 . 1 3 1 1 ARG HB2 H 1.3500 . . 4 1 1 ARG HB3 H 2.0500 . 2 5 1 1 ARG HD2 H 3.2600 . . 6 1 1 ARG HD3 H 3.3400 . 2 7 1 1 ARG HE H 7.0960 . 1 8 1 1 ARG HG2 H 1.6200 . . 9 1 1 ARG HG3 H 1.7700 . 2 10 1 1 ARG CA C 54.3900 . 1 11 1 1 ARG CB C 33.3100 . 1 12 1 1 ARG CD C 43.4800 . 1 13 1 1 ARG CG C 27.7300 . 1 14 1 1 ARG N N 123.5800 . 1 15 1 1 ARG NE N 149.1080 . 1 16 2 2 HIS H H 8.1400 . 1 17 2 2 HIS HA H 4.9400 . 1 18 2 2 HIS HB2 H 2.8800 . . 19 2 2 HIS HB3 H 3.1200 . 2 20 2 2 HIS HD2 H 7.9800 . 1 21 2 2 HIS HE1 H 7.3300 . 1 22 2 2 HIS CA C 59.0000 . 1 23 2 2 HIS CB C 30.6500 . 1 24 2 2 HIS CD2 C 119.1000 . 1 25 2 2 HIS CE1 C 136.6900 . 1 26 2 2 HIS N N 122.2200 . 1 27 3 3 GLU H H 9.2200 . 1 28 3 3 GLU HA H 4.2950 . 1 29 3 3 GLU HB2 H 1.8560 . . 30 3 3 GLU HB3 H 2.0110 . 2 31 3 3 GLU HG2 H 2.2030 . . 32 3 3 GLU HG3 H 2.3860 . 2 33 3 3 GLU CA C 56.4000 . 1 34 3 3 GLU CB C 30.8620 . 1 35 3 3 GLU CG C 35.9290 . 1 36 3 3 GLU N N 131.0100 . 1 37 4 4 ARG H H 8.7520 . 1 38 4 4 ARG HA H 4.3770 . 1 39 4 4 ARG HB2 H 1.6830 . . 40 4 4 ARG HB3 H 1.7930 . 2 41 4 4 ARG HD2 H 3.0830 . . 42 4 4 ARG HD3 H 3.1230 . 2 43 4 4 ARG HE H 7.0960 . 1 44 4 4 ARG HG2 H 1.5410 . . 45 4 4 ARG HG3 H 1.6170 . 2 46 4 4 ARG CA C 56.2500 . 1 47 4 4 ARG CB C 31.4300 . 1 48 4 4 ARG CD C 43.2440 . 1 49 4 4 ARG CG C 27.3480 . 1 50 4 4 ARG N N 123.5700 . 1 51 4 4 ARG NE N 149.1080 . 1 52 5 5 ASP H H 9.0160 . 1 53 5 5 ASP HA H 4.6650 . 1 54 5 5 ASP HB2 H 2.7470 . . 55 5 5 ASP HB3 H 3.0410 . 2 56 5 5 ASP CA C 52.8700 . 1 57 5 5 ASP CB C 42.4400 . 1 58 5 5 ASP N N 123.8000 . 1 59 6 6 ALA H H 8.4850 . 1 60 6 6 ALA HA H 4.0750 . 1 61 6 6 ALA HB H 1.4230 . . 62 6 6 ALA CA C 54.9200 . 1 63 6 6 ALA CB C 18.6800 . 1 64 6 6 ALA N N 123.0000 . 1 65 7 7 PHE H H 8.4420 . 1 66 7 7 PHE HA H 3.8210 . 1 67 7 7 PHE HB2 H 2.9640 . . 68 7 7 PHE HB3 H 2.9640 . 2 69 7 7 PHE HD1 H 6.7620 . 3 70 7 7 PHE HD2 H 6.7620 . 3 71 7 7 PHE HE1 H 7.1700 . 3 72 7 7 PHE HE2 H 7.1700 . 3 73 7 7 PHE HZ H 7.2700 . 1 74 7 7 PHE CA C 61.6600 . 1 75 7 7 PHE CB C 38.8400 . 1 76 7 7 PHE CD1 C 131.5400 . 3 77 7 7 PHE CD2 C 131.5400 . 3 78 7 7 PHE CE1 C 129.4800 . 3 79 7 7 PHE CE2 C 129.4800 . 3 80 7 7 PHE CZ C 130.9500 . 1 81 7 7 PHE N N 119.4200 . 1 82 8 8 ASP H H 8.2560 . 1 83 8 8 ASP HA H 4.1560 . 1 84 8 8 ASP HB2 H 2.6030 . . 85 8 8 ASP HB3 H 2.8660 . 2 86 8 8 ASP CA C 58.1700 . 1 87 8 8 ASP CB C 40.7900 . 1 88 8 8 ASP N N 118.3800 . 1 89 9 9 THR H H 7.7410 . 1 90 9 9 THR HA H 3.8860 . 1 91 9 9 THR HB H 4.1400 . 1 92 9 9 THR HG2 H 1.1440 . . 93 9 9 THR CA C 65.7700 . 1 94 9 9 THR CB C 68.6500 . 1 95 9 9 THR CG2 C 21.6980 . 1 96 9 9 THR N N 113.0500 . 1 97 10 10 LEU H H 7.4690 . 1 98 10 10 LEU HA H 3.8230 . 1 99 10 10 LEU HB2 H 1.0140 . . 100 10 10 LEU HB3 H 1.3180 . 2 101 10 10 LEU HD1 H 0.7700 . . 102 10 10 LEU HD2 H 0.5130 . . 103 10 10 LEU CA C 57.4500 . 1 104 10 10 LEU CB C 42.1800 . 1 105 10 10 LEU CD1 C 26.1200 . 2 106 10 10 LEU CD2 C 24.8130 . 2 107 10 10 LEU CG C 25.6400 . 1 108 10 10 LEU N N 122.0000 . 1 109 11 11 PHE H H 7.8150 . 1 110 11 11 PHE HA H 3.8570 . 1 111 11 11 PHE HB2 H 2.3650 . . 112 11 11 PHE HB3 H 2.8930 . 2 113 11 11 PHE HD1 H 7.0270 . 3 114 11 11 PHE HD2 H 7.0270 . 3 115 11 11 PHE HE1 H 7.1700 . 3 116 11 11 PHE HE2 H 7.1700 . 3 117 11 11 PHE HZ H 7.2700 . 1 118 11 11 PHE CA C 60.1300 . 1 119 11 11 PHE CB C 39.2300 . 1 120 11 11 PHE CD1 C 132.1200 . 3 121 11 11 PHE CD2 C 132.1200 . 3 122 11 11 PHE CE1 C 129.4800 . 3 123 11 11 PHE CE2 C 129.4800 . 3 124 11 11 PHE CZ C 130.9500 . 1 125 11 11 PHE N N 115.6400 . 1 126 12 12 ASP H H 7.8780 . 1 127 12 12 ASP HA H 4.3970 . 1 128 12 12 ASP HB2 H 2.2850 . . 129 12 12 ASP HB3 H 2.4320 . 2 130 12 12 ASP CA C 55.4400 . 1 131 12 12 ASP CB C 40.8200 . 1 132 12 12 ASP N N 117.5400 . 1 133 13 13 HIS H H 7.9140 . 1 134 13 13 HIS HA H 4.6660 . 1 135 13 13 HIS HB2 H 3.1040 . . 136 13 13 HIS HB3 H 3.2970 . 2 137 13 13 HIS HD2 H 7.9800 . 1 138 13 13 HIS HE1 H 7.1320 . 1 139 13 13 HIS CA C 55.7100 . 1 140 13 13 HIS CB C 30.0500 . 1 141 13 13 HIS CD2 C 119.1000 . 1 142 13 13 HIS CE1 C 136.6900 . 1 143 13 13 HIS N N 115.3800 . 1 144 14 14 ALA H H 8.0750 . 1 145 14 14 ALA HA H 4.8100 . 1 146 14 14 ALA HB H 1.3040 . . 147 14 14 ALA CA C 50.5600 . 1 148 14 14 ALA CB C 18.9800 . 1 149 14 14 ALA N N 123.4500 . 1 150 15 15 PRO HA H 4.1800 . 1 151 15 15 PRO HB2 H 1.9160 . . 152 15 15 PRO HB3 H 2.1970 . 2 153 15 15 PRO HD2 H 3.4820 . . 154 15 15 PRO HD3 H 3.6820 . 2 155 15 15 PRO HG2 H 1.9270 . . 156 15 15 PRO HG3 H 1.9270 . 2 157 15 15 PRO CA C 65.0990 . 1 158 15 15 PRO CB C 31.1640 . 1 159 15 15 PRO CD C 50.1000 . 1 160 15 15 PRO CG C 27.4060 . 1 161 16 16 ASP H H 8.5820 . 1 162 16 16 ASP HA H 4.3840 . 1 163 16 16 ASP HB2 H 2.5900 . . 164 16 16 ASP HB3 H 2.6490 . 2 165 16 16 ASP CA C 56.1300 . 1 166 16 16 ASP CB C 39.5000 . 1 167 16 16 ASP N N 116.6800 . 1 168 17 17 LYS H H 7.6720 . 1 169 17 17 LYS HA H 4.1100 . 1 170 17 17 LYS HB2 H 1.8270 . . 171 17 17 LYS HB3 H 1.8270 . 2 172 17 17 LYS HD2 H 1.5580 . . 173 17 17 LYS HD3 H 1.5580 . 2 174 17 17 LYS HE2 H 2.8810 . . 175 17 17 LYS HE3 H 2.8810 . 2 176 17 17 LYS HG2 H 1.2960 . . 177 17 17 LYS HG3 H 1.4430 . 2 178 17 17 LYS CA C 57.8500 . 1 179 17 17 LYS CB C 31.9300 . 1 180 17 17 LYS CD C 27.3300 . 1 181 17 17 LYS CE C 42.9800 . 1 182 17 17 LYS CG C 25.0000 . 1 183 17 17 LYS N N 119.9200 . 1 184 18 18 LEU H H 7.2820 . 1 185 18 18 LEU HA H 3.8430 . 1 186 18 18 LEU HB2 H 1.4590 . . 187 18 18 LEU HB3 H 1.6660 . 2 188 18 18 LEU HD1 H 0.5850 . . 189 18 18 LEU HD2 H 0.6000 . . 190 18 18 LEU CA C 57.6100 . 1 191 18 18 LEU CB C 40.7600 . 1 192 18 18 LEU CD1 C 24.9910 . 2 193 18 18 LEU CD2 C 23.5470 . 2 194 18 18 LEU CG C 28.5500 . 1 195 18 18 LEU N N 110.2100 . 1 196 19 19 ASN H H 8.1260 . 1 197 19 19 ASN HA H 4.3580 . 1 198 19 19 ASN HB2 H 2.8790 . . 199 19 19 ASN HB3 H 2.7760 . 2 200 19 19 ASN HD21 H 6.8500 . 2 201 19 19 ASN HD22 H 7.6400 . 2 202 19 19 ASN CA C 56.6000 . 1 203 19 19 ASN CB C 37.6800 . 1 204 19 19 ASN N N 117.1100 . 1 205 19 19 ASN ND2 N 112.4800 . 1 206 20 20 VAL H H 7.4920 . 1 207 20 20 VAL HA H 3.6990 . 1 208 20 20 VAL HB H 2.1600 . 1 209 20 20 VAL HG1 H 1.0440 . . 210 20 20 VAL HG2 H 0.9140 . . 211 20 20 VAL CA C 66.4000 . 1 212 20 20 VAL CB C 31.4500 . 1 213 20 20 VAL CG1 C 22.3870 . 2 214 20 20 VAL CG2 C 21.0800 . 2 215 20 20 VAL N N 120.3400 . 1 216 21 21 VAL H H 7.8520 . 1 217 21 21 VAL HA H 3.6180 . 1 218 21 21 VAL HB H 2.1310 . 1 219 21 21 VAL HG1 H 0.9280 . . 220 21 21 VAL HG2 H 0.8630 . . 221 21 21 VAL CA C 66.5700 . 1 222 21 21 VAL CB C 31.6500 . 1 223 21 21 VAL CG1 C 23.1120 . 2 224 21 21 VAL CG2 C 20.9640 . 2 225 21 21 VAL N N 122.4700 . 1 226 22 22 LYS H H 8.6180 . 1 227 22 22 LYS HA H 3.6400 . 1 228 22 22 LYS HB2 H 1.9230 . . 229 22 22 LYS HB3 H 1.9230 . 2 230 22 22 LYS HD2 H 1.7290 . . 231 22 22 LYS HD3 H 1.7290 . 2 232 22 22 LYS HE2 H 2.7930 . . 233 22 22 LYS HE3 H 2.9080 . 2 234 22 22 LYS HG2 H 0.9410 . . 235 22 22 LYS HG3 H 1.1590 . 2 236 22 22 LYS CA C 61.4000 . 1 237 22 22 LYS CB C 32.2700 . 1 238 22 22 LYS CD C 29.6530 . 1 239 22 22 LYS CE C 42.1000 . 1 240 22 22 LYS CG C 26.5800 . 1 241 22 22 LYS N N 118.9700 . 1 242 23 23 LYS H H 7.6170 . 1 243 23 23 LYS HA H 4.0040 . 1 244 23 23 LYS HB2 H 1.9310 . . 245 23 23 LYS HB3 H 1.9310 . 2 246 23 23 LYS HD2 H 1.6450 . . 247 23 23 LYS HD3 H 1.6450 . 2 248 23 23 LYS HE2 H 2.5010 . . 249 23 23 LYS HE3 H 2.7240 . 2 250 23 23 LYS HG2 H 1.4390 . . 251 23 23 LYS HG3 H 1.5330 . 2 252 23 23 LYS CA C 59.7300 . 1 253 23 23 LYS CB C 32.0000 . 1 254 23 23 LYS CD C 29.0620 . 1 255 23 23 LYS CE C 41.8700 . 1 256 23 23 LYS CG C 25.1220 . 1 257 23 23 LYS N N 117.7900 . 1 258 24 24 THR H H 8.2510 . 1 259 24 24 THR HA H 3.7730 . 1 260 24 24 THR HB H 4.1400 . 1 261 24 24 THR HG2 H 0.6870 . . 262 24 24 THR CA C 66.6260 . 1 263 24 24 THR CB C 68.7780 . 1 264 24 24 THR CG2 C 21.6400 . 1 265 24 24 THR N N 118.3800 . 1 266 25 25 LEU H H 8.4090 . 1 267 25 25 LEU HA H 4.0380 . 1 268 25 25 LEU HB2 H 1.1200 . . 269 25 25 LEU HB3 H 1.9400 . 2 270 25 25 LEU HD1 H 0.8590 . . 271 25 25 LEU HD2 H 0.5130 . . 272 25 25 LEU CA C 58.0100 . 1 273 25 25 LEU CB C 41.3800 . 1 274 25 25 LEU CD1 C 26.6900 . 2 275 25 25 LEU CD2 C 22.6600 . 2 276 25 25 LEU CG C 26.7280 . 1 277 25 25 LEU N N 121.0900 . 1 278 26 26 ILE H H 8.5880 . 1 279 26 26 ILE HA H 3.7260 . 1 280 26 26 ILE HB H 1.9550 . 1 281 26 26 ILE HD1 H 0.7610 . . 282 26 26 ILE HG12 H 0.9380 . . 283 26 26 ILE HG13 H 1.7070 . 2 284 26 26 ILE HG2 H 0.9430 . . 285 26 26 ILE CA C 65.7800 . 1 286 26 26 ILE CB C 37.7700 . 1 287 26 26 ILE CD1 C 12.6200 . 1 288 26 26 ILE CG1 C 30.4080 . 1 289 26 26 ILE CG2 C 17.3760 . 1 290 26 26 ILE N N 121.6400 . 1 291 27 27 THR H H 8.0640 . 1 292 27 27 THR HA H 3.9300 . 1 293 27 27 THR HB H 4.3290 . 1 294 27 27 THR HG2 H 1.2850 . . 295 27 27 THR CA C 67.0500 . 1 296 27 27 THR CB C 68.7800 . 1 297 27 27 THR CG2 C 21.6070 . 1 298 27 27 THR N N 117.7600 . 1 299 28 28 PHE H H 7.8520 . 1 300 28 28 PHE HA H 4.6590 . 1 301 28 28 PHE HB2 H 3.5790 . . 302 28 28 PHE HB3 H 3.2580 . 2 303 28 28 PHE HD1 H 7.1500 . 3 304 28 28 PHE HD2 H 7.1500 . 3 305 28 28 PHE HE1 H 7.1700 . 3 306 28 28 PHE HE2 H 7.1700 . 3 307 28 28 PHE HZ H 7.2700 . 1 308 28 28 PHE CA C 60.3200 . 1 309 28 28 PHE CB C 39.4200 . 1 310 28 28 PHE CD1 C 131.2800 . 3 311 28 28 PHE CD2 C 131.2800 . 3 312 28 28 PHE CE1 C 129.4800 . 3 313 28 28 PHE CE2 C 129.4800 . 3 314 28 28 PHE CZ C 130.9500 . 1 315 28 28 PHE N N 122.2500 . 1 316 29 29 VAL H H 8.7910 . 1 317 29 29 VAL HA H 3.4560 . 1 318 29 29 VAL HB H 2.2040 . 1 319 29 29 VAL HG1 H 1.2400 . . 320 29 29 VAL HG2 H 1.0960 . . 321 29 29 VAL CA C 66.0100 . 1 322 29 29 VAL CB C 31.2000 . 1 323 29 29 VAL CG1 C 20.5000 . 2 324 29 29 VAL CG2 C 22.9040 . 2 325 29 29 VAL N N 113.2900 . 1 326 30 30 ASN H H 8.1150 . 1 327 30 30 ASN HA H 4.5450 . 1 328 30 30 ASN HB2 H 2.8310 . . 329 30 30 ASN HB3 H 2.6570 . 2 330 30 30 ASN HD21 H 7.3900 . 2 331 30 30 ASN HD22 H 7.3900 . 2 332 30 30 ASN CA C 56.0100 . 1 333 30 30 ASN CB C 38.0000 . 1 334 30 30 ASN N N 118.9600 . 1 335 30 30 ASN ND2 N 112.4800 . 1 336 31 31 LYS H H 7.7520 . 1 337 31 31 LYS HA H 3.9540 . 1 338 31 31 LYS HB2 H 2.2250 . . 339 31 31 LYS HB3 H 2.2250 . 2 340 31 31 LYS HD2 H 1.7390 . . 341 31 31 LYS HD3 H 1.7390 . 2 342 31 31 LYS HE2 H 2.6640 . . 343 31 31 LYS HE3 H 2.8440 . 2 344 31 31 LYS HG2 H 1.1280 . . 345 31 31 LYS HG3 H 1.1280 . 2 346 31 31 LYS CA C 59.1700 . 1 347 31 31 LYS CB C 31.6400 . 1 348 31 31 LYS CD C 29.8960 . 1 349 31 31 LYS CE C 41.3120 . 1 350 31 31 LYS CG C 23.9530 . 1 351 31 31 LYS N N 122.8400 . 1 352 32 32 HIS H H 6.3100 . 1 353 32 32 HIS HA H 4.3210 . 1 354 32 32 HIS HB2 H 2.7300 . . 355 32 32 HIS HB3 H 2.3270 . 2 356 32 32 HIS HD2 H 7.9800 . 1 357 32 32 HIS HE1 H 7.3300 . 1 358 32 32 HIS CA C 58.1200 . 1 359 32 32 HIS CB C 31.7400 . 1 360 32 32 HIS CD2 C 119.1000 . 1 361 32 32 HIS CE1 C 136.6900 . 1 362 32 32 HIS N N 113.6500 . 1 363 33 33 LEU H H 9.1520 . 1 364 33 33 LEU HA H 3.7180 . 1 365 33 33 LEU HB2 H 1.0640 . . 366 33 33 LEU HB3 H 1.5620 . 2 367 33 33 LEU HD1 H 0.4160 . . 368 33 33 LEU HD2 H 0.4660 . . 369 33 33 LEU CA C 58.3900 . 1 370 33 33 LEU CB C 40.1100 . 1 371 33 33 LEU CD1 C 26.1200 . 2 372 33 33 LEU CD2 C 21.0600 . 2 373 33 33 LEU CG C 25.0650 . 1 374 33 33 LEU N N 118.2300 . 1 375 34 34 ASN H H 8.9370 . 1 376 34 34 ASN HA H 4.5680 . 1 377 34 34 ASN HB2 H 2.7280 . . 378 34 34 ASN HB3 H 2.7280 . 2 379 34 34 ASN HD21 H 6.8500 . 2 380 34 34 ASN HD22 H 7.6400 . 2 381 34 34 ASN CA C 56.2000 . 1 382 34 34 ASN CB C 38.5700 . 1 383 34 34 ASN N N 116.8100 . 1 384 34 34 ASN ND2 N 112.4800 . 1 385 35 35 LYS H H 7.9870 . 1 386 35 35 LYS HA H 4.0170 . 1 387 35 35 LYS HB2 H 1.9400 . . 388 35 35 LYS HB3 H 1.9400 . 2 389 35 35 LYS HD2 H 1.7160 . . 390 35 35 LYS HD3 H 1.7160 . 2 391 35 35 LYS HE2 H 2.7880 . . 392 35 35 LYS HE3 H 2.8970 . 2 393 35 35 LYS HG2 H 1.4600 . . 394 35 35 LYS HG3 H 1.4600 . 2 395 35 35 LYS CA C 59.5500 . 1 396 35 35 LYS CB C 32.4200 . 1 397 35 35 LYS CD C 24.4600 . 1 398 35 35 LYS CE C 41.3100 . 1 399 35 35 LYS CG C 20.7600 . 1 400 35 35 LYS N N 121.0000 . 1 401 36 36 LEU H H 7.5340 . 1 402 36 36 LEU HA H 4.4870 . 1 403 36 36 LEU HB2 H 1.5380 . . 404 36 36 LEU HB3 H 1.7510 . 2 405 36 36 LEU HD1 H 0.5460 . . 406 36 36 LEU HD2 H 0.8170 . . 407 36 36 LEU HG H 1.5040 . 1 408 36 36 LEU CA C 52.9700 . 1 409 36 36 LEU CB C 41.9900 . 1 410 36 36 LEU CD1 C 25.5400 . 2 411 36 36 LEU CD2 C 21.9300 . 2 412 36 36 LEU CG C 31.2870 . 1 413 36 36 LEU N N 116.9100 . 1 414 37 37 ASN H H 7.9300 . 1 415 37 37 ASN HA H 4.2460 . 1 416 37 37 ASN HB2 H 3.0230 . . 417 37 37 ASN HB3 H 2.8350 . 2 418 37 37 ASN HD21 H 6.8500 . 2 419 37 37 ASN HD22 H 7.6400 . 2 420 37 37 ASN CA C 54.3700 . 1 421 37 37 ASN CB C 37.0100 . 1 422 37 37 ASN N N 113.5700 . 1 423 37 37 ASN ND2 N 112.4800 . 1 424 38 38 LEU H H 7.2910 . 1 425 38 38 LEU HA H 4.6000 . 1 426 38 38 LEU HB2 H 0.7320 . . 427 38 38 LEU HB3 H 1.2640 . 2 428 38 38 LEU HD1 H 0.5450 . . 429 38 38 LEU HD2 H 0.8320 . . 430 38 38 LEU CA C 53.1200 . 1 431 38 38 LEU CB C 45.1400 . 1 432 38 38 LEU CD1 C 26.0200 . 2 433 38 38 LEU CD2 C 22.7540 . 2 434 38 38 LEU CG C 26.0200 . 1 435 38 38 LEU N N 117.9400 . 1 436 39 39 GLU H H 8.0660 . 1 437 39 39 GLU HA H 4.2750 . 1 438 39 39 GLU HB2 H 1.6740 . . 439 39 39 GLU HB3 H 1.6740 . 2 440 39 39 GLU HG2 H 1.8770 . . 441 39 39 GLU HG3 H 1.8770 . 2 442 39 39 GLU CA C 55.1900 . 1 443 39 39 GLU CB C 32.8600 . 1 444 39 39 GLU CG C 35.4000 . 1 445 39 39 GLU N N 118.2400 . 1 446 40 40 VAL H H 9.8470 . 1 447 40 40 VAL HA H 4.3350 . 1 448 40 40 VAL HB H 1.8490 . 1 449 40 40 VAL HG1 H 0.6270 . . 450 40 40 VAL HG2 H 0.7840 . . 451 40 40 VAL CA C 61.2700 . 1 452 40 40 VAL CB C 33.2900 . 1 453 40 40 VAL CG1 C 22.5310 . 2 454 40 40 VAL CG2 C 20.9230 . 2 455 40 40 VAL N N 125.4500 . 1 456 41 41 THR H H 9.7200 . 1 457 41 41 THR HA H 4.4300 . 1 458 41 41 THR HB H 4.2760 . 1 459 41 41 THR HG2 H 1.0810 . . 460 41 41 THR CA C 61.3900 . 1 461 41 41 THR CB C 70.1700 . 1 462 41 41 THR CG2 C 21.8800 . 1 463 41 41 THR N N 117.1400 . 1 464 42 42 GLU H H 8.1720 . 1 465 42 42 GLU HA H 4.8010 . 1 466 42 42 GLU HB2 H 1.9710 . . 467 42 42 GLU HB3 H 1.9710 . 2 468 42 42 GLU HG2 H 2.2510 . . 469 42 42 GLU HG3 H 2.2510 . 2 470 42 42 GLU CA C 55.4100 . 1 471 42 42 GLU CB C 31.2500 . 1 472 42 42 GLU CG C 35.9810 . 1 473 42 42 GLU N N 123.5600 . 1 474 43 43 LEU H H 9.1250 . 1 475 43 43 LEU HA H 4.0640 . 1 476 43 43 LEU HB2 H 1.3720 . . 477 43 43 LEU HB3 H 1.6880 . 2 478 43 43 LEU HD1 H 0.9100 . . 479 43 43 LEU HD2 H 0.7100 . . 480 43 43 LEU CA C 57.3800 . 1 481 43 43 LEU CB C 42.7300 . 1 482 43 43 LEU CD1 C 26.4190 . 2 483 43 43 LEU CD2 C 23.8950 . 2 484 43 43 LEU CG C 26.4190 . 1 485 43 43 LEU N N 124.7800 . 1 486 44 44 GLU H H 9.7080 . 1 487 44 44 GLU HA H 3.9440 . 1 488 44 44 GLU HB2 H 2.0650 . . 489 44 44 GLU HB3 H 2.1500 . 2 490 44 44 GLU HG2 H 2.3190 . . 491 44 44 GLU HG3 H 2.5950 . 2 492 44 44 GLU CA C 60.3500 . 1 493 44 44 GLU CB C 29.8300 . 1 494 44 44 GLU CG C 38.1010 . 1 495 44 44 GLU N N 115.3000 . 1 496 45 45 THR H H 7.6260 . 1 497 45 45 THR HA H 4.9780 . 1 498 45 45 THR HB H 4.1830 . 1 499 45 45 THR HG2 H 1.1650 . . 500 45 45 THR CA C 62.3000 . 1 501 45 45 THR CB C 71.2900 . 1 502 45 45 THR CG2 C 21.6970 . 1 503 45 45 THR N N 102.5300 . 1 504 46 46 GLN H H 7.4010 . 1 505 46 46 GLN HA H 3.9580 . 1 506 46 46 GLN HB2 H 1.9430 . . 507 46 46 GLN HB3 H 1.9430 . 2 508 46 46 GLN HE21 H 6.8500 . 2 509 46 46 GLN HE22 H 7.7100 . 2 510 46 46 GLN HG2 H 2.7090 . . 511 46 46 GLN HG3 H 2.3440 . 2 512 46 46 GLN CA C 59.4200 . 1 513 46 46 GLN CB C 28.7000 . 1 514 46 46 GLN CG C 36.2500 . 1 515 46 46 GLN N N 117.6100 . 1 516 46 46 GLN NE2 N 114.4100 . 1 517 47 47 PHE H H 9.7880 . 1 518 47 47 PHE HA H 4.8450 . 1 519 47 47 PHE HB2 H 3.0470 . . 520 47 47 PHE HB3 H 3.1190 . 2 521 47 47 PHE HD1 H 7.4500 . 3 522 47 47 PHE HD2 H 7.4500 . 3 523 47 47 PHE HE1 H 7.1700 . 3 524 47 47 PHE HE2 H 7.1700 . 3 525 47 47 PHE HZ H 7.2700 . 1 526 47 47 PHE CA C 58.9800 . 1 527 47 47 PHE CB C 38.9200 . 1 528 47 47 PHE CD1 C 132.0000 . 3 529 47 47 PHE CD2 C 132.0000 . 3 530 47 47 PHE CE1 C 129.4800 . 3 531 47 47 PHE CE2 C 129.4800 . 3 532 47 47 PHE CZ C 130.9500 . 1 533 47 47 PHE N N 116.6500 . 1 534 48 48 ALA H H 6.9920 . 1 535 48 48 ALA HA H 3.9860 . 1 536 48 48 ALA HB H 1.6040 . . 537 48 48 ALA CA C 55.2200 . 1 538 48 48 ALA CB C 20.7700 . 1 539 48 48 ALA N N 124.3900 . 1 540 49 49 ASP H H 7.5330 . 1 541 49 49 ASP HA H 4.2830 . 1 542 49 49 ASP HB2 H 2.4940 . . 543 49 49 ASP HB3 H 2.9610 . 2 544 49 49 ASP CA C 52.8600 . 1 545 49 49 ASP CB C 40.1100 . 1 546 49 49 ASP N N 108.0900 . 1 547 50 50 GLY H H 7.5370 . 1 548 50 50 GLY HA2 H 3.4680 . . 549 50 50 GLY HA3 H 4.1060 . 2 550 50 50 GLY CA C 48.3800 . 1 551 50 50 GLY N N 104.2300 . 1 552 51 51 VAL H H 8.0560 . 1 553 51 51 VAL HA H 3.3720 . 1 554 51 51 VAL HB H 1.9540 . 1 555 51 51 VAL HG1 H 1.1090 . . 556 51 51 VAL HG2 H 1.0330 . . 557 51 51 VAL CA C 67.8100 . 1 558 51 51 VAL CB C 32.2000 . 1 559 51 51 VAL CG1 C 21.2590 . 2 560 51 51 VAL CG2 C 22.9580 . 2 561 51 51 VAL N N 121.0200 . 1 562 52 52 TYR H H 8.9900 . 1 563 52 52 TYR HA H 4.8400 . 1 564 52 52 TYR HB2 H 2.8140 . . 565 52 52 TYR HB3 H 2.8140 . 2 566 52 52 TYR HD1 H 6.9200 . 3 567 52 52 TYR HD2 H 6.9200 . 3 568 52 52 TYR HE1 H 6.8300 . 3 569 52 52 TYR HE2 H 6.8300 . 3 570 52 52 TYR CA C 58.3100 . 1 571 52 52 TYR CB C 35.7500 . 1 572 52 52 TYR CD1 C 133.1300 . 3 573 52 52 TYR CD2 C 133.1300 . 3 574 52 52 TYR CE1 C 118.2900 . 3 575 52 52 TYR CE2 C 118.2900 . 3 576 52 52 TYR N N 115.6500 . 1 577 53 53 LEU H H 8.5420 . 1 578 53 53 LEU HA H 4.0640 . 1 579 53 53 LEU HB2 H 1.8190 . . 580 53 53 LEU HB3 H 2.1270 . 2 581 53 53 LEU HD1 H 0.9200 . . 582 53 53 LEU HD2 H 0.7200 . . 583 53 53 LEU CA C 58.3200 . 1 584 53 53 LEU CB C 42.6300 . 1 585 53 53 LEU CD1 C 25.3400 . 2 586 53 53 LEU CD2 C 23.5610 . 2 587 53 53 LEU CG C 25.3400 . 1 588 53 53 LEU N N 118.7000 . 1 589 54 54 VAL H H 7.4460 . 1 590 54 54 VAL HA H 3.0200 . 1 591 54 54 VAL HB H 1.7220 . 1 592 54 54 VAL HG1 H 0.8570 . . 593 54 54 VAL HG2 H -0.2080 . . 594 54 54 VAL CA C 67.7000 . 1 595 54 54 VAL CB C 31.6600 . 1 596 54 54 VAL CG1 C 24.3240 . 2 597 54 54 VAL CG2 C 21.1800 . 2 598 54 54 VAL N N 118.7000 . 1 599 55 55 LEU H H 8.1240 . 1 600 55 55 LEU HA H 3.7670 . 1 601 55 55 LEU HB2 H 1.6760 . . 602 55 55 LEU HB3 H 1.0390 . 2 603 55 55 LEU HD1 H 1.1020 . . 604 55 55 LEU HD2 H 0.7720 . . 605 55 55 LEU CA C 57.3100 . 1 606 55 55 LEU CB C 41.6200 . 1 607 55 55 LEU CD1 C 25.7790 . 2 608 55 55 LEU CD2 C 21.8670 . 2 609 55 55 LEU CG C 25.7790 . 1 610 55 55 LEU N N 115.4900 . 1 611 56 56 LEU H H 8.8200 . 1 612 56 56 LEU HA H 3.7680 . 1 613 56 56 LEU HB2 H 1.6780 . . 614 56 56 LEU HB3 H 1.6780 . 2 615 56 56 LEU HD1 H 0.7200 . . 616 56 56 LEU HD2 H 0.6850 . . 617 56 56 LEU CA C 57.7500 . 1 618 56 56 LEU CB C 42.3000 . 1 619 56 56 LEU CD1 C 26.3210 . 2 620 56 56 LEU CD2 C 24.1170 . 2 621 56 56 LEU CG C 26.3210 . 1 622 56 56 LEU N N 119.0000 . 1 623 57 57 MET H H 7.4390 . 1 624 57 57 MET HA H 4.3350 . 1 625 57 57 MET HB2 H 2.6400 . . 626 57 57 MET HB3 H 2.6400 . 2 627 57 57 MET HE H 1.7270 . . 628 57 57 MET HG2 H 3.1170 . . 629 57 57 MET HG3 H 3.1540 . 2 630 57 57 MET CA C 55.6300 . 1 631 57 57 MET CB C 28.1900 . 1 632 57 57 MET CE C 12.9540 . 1 633 57 57 MET CG C 31.1810 . 1 634 57 57 MET N N 115.9600 . 1 635 58 58 GLY H H 7.5160 . 1 636 58 58 GLY HA2 H 3.2010 . . 637 58 58 GLY HA3 H 3.5920 . 2 638 58 58 GLY CA C 47.8400 . 1 639 58 58 GLY N N 104.6400 . 1 640 59 59 LEU H H 7.5170 . 1 641 59 59 LEU HA H 3.9070 . 1 642 59 59 LEU HB2 H 1.3640 . . 643 59 59 LEU HB3 H 1.7070 . 2 644 59 59 LEU HD1 H 0.8000 . . 645 59 59 LEU HD2 H 0.9500 . . 646 59 59 LEU CA C 57.4800 . 1 647 59 59 LEU CB C 42.3600 . 1 648 59 59 LEU CD1 C 26.4400 . 2 649 59 59 LEU CD2 C 24.2200 . 2 650 59 59 LEU CG C 25.9990 . 1 651 59 59 LEU N N 121.5900 . 1 652 60 60 LEU H H 8.2980 . 1 653 60 60 LEU HA H 3.5390 . 1 654 60 60 LEU HB2 H 0.0760 . . 655 60 60 LEU HB3 H 1.0320 . 2 656 60 60 LEU HD1 H 0.2120 . . 657 60 60 LEU HD2 H -0.2810 . . 658 60 60 LEU HG H 1.2260 . 1 659 60 60 LEU CA C 57.1850 . 1 660 60 60 LEU CB C 40.1970 . 1 661 60 60 LEU CD1 C 25.5600 . 2 662 60 60 LEU CD2 C 19.2500 . 2 663 60 60 LEU CG C 25.5600 . 1 664 60 60 LEU N N 119.4300 . 1 665 61 61 GLU H H 7.4850 . 1 666 61 61 GLU HA H 4.1260 . 1 667 61 61 GLU HB2 H 1.4470 . . 668 61 61 GLU HB3 H 2.0940 . 2 669 61 61 GLU HG2 H 1.9390 . . 670 61 61 GLU HG3 H 2.3140 . 2 671 61 61 GLU CA C 55.9700 . 1 672 61 61 GLU CB C 31.2700 . 1 673 61 61 GLU CG C 35.1960 . 1 674 61 61 GLU N N 114.2700 . 1 675 62 62 GLY H H 7.4890 . 1 676 62 62 GLY HA2 H 3.7240 . . 677 62 62 GLY HA3 H 3.9180 . 2 678 62 62 GLY CA C 46.8400 . 1 679 62 62 GLY N N 109.7000 . 1 680 63 63 TYR H H 8.1750 . 1 681 63 63 TYR HA H 4.7630 . 1 682 63 63 TYR HB2 H 2.9130 . . 683 63 63 TYR HB3 H 2.9130 . 2 684 63 63 TYR HD1 H 6.7560 . 3 685 63 63 TYR HD2 H 6.7560 . 3 686 63 63 TYR HE1 H 6.8300 . 3 687 63 63 TYR HE2 H 6.8300 . 3 688 63 63 TYR CA C 55.2600 . 1 689 63 63 TYR CB C 40.1400 . 1 690 63 63 TYR CD1 C 133.3400 . 3 691 63 63 TYR CD2 C 133.3400 . 3 692 63 63 TYR CE1 C 118.2900 . 3 693 63 63 TYR CE2 C 118.2900 . 3 694 63 63 TYR N N 118.0400 . 1 695 64 64 PHE H H 8.5060 . 1 696 64 64 PHE HA H 4.6370 . 1 697 64 64 PHE HB2 H 2.9430 . . 698 64 64 PHE HB3 H 2.9430 . 2 699 64 64 PHE HD1 H 7.1940 . 3 700 64 64 PHE HD2 H 7.1940 . 3 701 64 64 PHE HE1 H 7.1700 . 3 702 64 64 PHE HE2 H 7.1700 . 3 703 64 64 PHE HZ H 7.2700 . 1 704 64 64 PHE CA C 56.3600 . 1 705 64 64 PHE CB C 39.3200 . 1 706 64 64 PHE CD1 C 131.7500 . 3 707 64 64 PHE CD2 C 131.7500 . 3 708 64 64 PHE CE1 C 129.4800 . 3 709 64 64 PHE CE2 C 129.4800 . 3 710 64 64 PHE CZ C 130.9500 . 1 711 64 64 PHE N N 121.5100 . 1 712 65 65 VAL H H 8.3700 . 1 713 65 65 VAL HA H 4.0670 . 1 714 65 65 VAL HB H 1.7440 . 1 715 65 65 VAL HG1 H 0.7820 . . 716 65 65 VAL HG2 H 0.8370 . . 717 65 65 VAL CA C 60.3200 . 1 718 65 65 VAL CB C 31.8000 . 1 719 65 65 VAL CG1 C 20.6200 . 2 720 65 65 VAL CG2 C 22.2200 . 2 721 65 65 VAL N N 129.1700 . 1 722 66 66 PRO HA H 4.3440 . 1 723 66 66 PRO HB2 H 2.2090 . . 724 66 66 PRO HB3 H 2.2090 . 2 725 66 66 PRO HD2 H 3.5430 . . 726 66 66 PRO HD3 H 4.0320 . 2 727 66 66 PRO HG2 H 1.9270 . . 728 66 66 PRO HG3 H 1.9900 . 2 729 66 66 PRO CA C 62.9930 . 1 730 66 66 PRO CB C 31.9840 . 1 731 66 66 PRO CD C 50.9780 . 1 732 66 66 PRO CG C 27.5730 . 1 733 67 67 LEU H H 8.3760 . 1 734 67 67 LEU HA H 3.8310 . 1 735 67 67 LEU HB2 H 1.3490 . . 736 67 67 LEU HB3 H 1.5770 . 2 737 67 67 LEU HD1 H 1.3470 . . 738 67 67 LEU HD2 H 0.8470 . . 739 67 67 LEU CA C 56.7900 . 1 740 67 67 LEU CB C 41.3900 . 1 741 67 67 LEU CD1 C 26.6200 . 2 742 67 67 LEU CD2 C 23.1900 . 2 743 67 67 LEU CG C 25.1870 . 1 744 67 67 LEU N N 122.5200 . 1 745 68 68 HIS H H 7.5550 . 1 746 68 68 HIS HA H 4.4150 . 1 747 68 68 HIS HB2 H 2.9720 . . 748 68 68 HIS HB3 H 3.1960 . 2 749 68 68 HIS HD2 H 7.9800 . 1 750 68 68 HIS HE1 H 7.3300 . 1 751 68 68 HIS CA C 56.1400 . 1 752 68 68 HIS CB C 28.9900 . 1 753 68 68 HIS CD2 C 119.1000 . 1 754 68 68 HIS CE1 C 136.6900 . 1 755 68 68 HIS N N 110.2700 . 1 756 69 69 SER H H 7.5790 . 1 757 69 69 SER HA H 4.0010 . 1 758 69 69 SER HB2 H 3.4720 . . 759 69 69 SER HB3 H 3.2690 . 2 760 69 69 SER CA C 59.3800 . 1 761 69 69 SER CB C 64.0500 . 1 762 69 69 SER N N 115.9800 . 1 763 70 70 PHE H H 7.2030 . 1 764 70 70 PHE HA H 4.2960 . 1 765 70 70 PHE HB2 H 3.2010 . . 766 70 70 PHE HB3 H 3.2010 . 2 767 70 70 PHE HD1 H 6.8630 . 3 768 70 70 PHE HD2 H 6.8630 . 3 769 70 70 PHE HE1 H 6.9830 . 3 770 70 70 PHE HE2 H 6.9830 . 3 771 70 70 PHE HZ H 7.2700 . 1 772 70 70 PHE CA C 54.7800 . 1 773 70 70 PHE CB C 38.1000 . 1 774 70 70 PHE CD1 C 131.9800 . 3 775 70 70 PHE CD2 C 131.9800 . 3 776 70 70 PHE CE1 C 129.4800 . 3 777 70 70 PHE CE2 C 129.4800 . 3 778 70 70 PHE CZ C 130.9500 . 1 779 70 70 PHE N N 117.1200 . 1 780 71 71 PHE H H 9.4860 . 1 781 71 71 PHE HA H 4.3560 . 1 782 71 71 PHE HB2 H 2.7950 . . 783 71 71 PHE HB3 H 2.7950 . 2 784 71 71 PHE HD1 H 7.3640 . 3 785 71 71 PHE HD2 H 7.3640 . 3 786 71 71 PHE HE1 H 7.1700 . 3 787 71 71 PHE HE2 H 7.1700 . 3 788 71 71 PHE HZ H 7.2700 . 1 789 71 71 PHE CA C 56.7900 . 1 790 71 71 PHE CB C 38.7600 . 1 791 71 71 PHE CD1 C 131.9800 . 3 792 71 71 PHE CD2 C 131.9800 . 3 793 71 71 PHE CE1 C 129.4800 . 3 794 71 71 PHE CE2 C 129.4800 . 3 795 71 71 PHE CZ C 130.9500 . 1 796 71 71 PHE N N 119.2400 . 1 797 72 72 LEU H H 7.3200 . 1 798 72 72 LEU HA H 3.9600 . 1 799 72 72 LEU HB2 H 1.2890 . . 800 72 72 LEU HB3 H 1.5220 . 2 801 72 72 LEU HD1 H 0.9470 . . 802 72 72 LEU HD2 H 0.8500 . . 803 72 72 LEU CA C 57.2610 . 1 804 72 72 LEU CB C 42.5260 . 1 805 72 72 LEU CD1 C 23.8850 . 2 806 72 72 LEU CD2 C 25.3860 . 2 807 72 72 LEU CG C 28.4910 . 1 808 72 72 LEU N N 120.4000 . 1 809 73 73 THR H H 8.2440 . 1 810 73 73 THR HA H 4.5980 . 1 811 73 73 THR HB H 4.1510 . 1 812 73 73 THR HG2 H 1.0440 . . 813 73 73 THR CA C 56.3800 . 1 814 73 73 THR CB C 69.2100 . 1 815 73 73 THR CG2 C 21.0800 . 1 816 73 73 THR N N 106.4100 . 1 817 74 74 PRO HA H 4.6200 . 1 818 74 74 PRO HB2 H 2.0410 . . 819 74 74 PRO HB3 H 2.0410 . 2 820 74 74 PRO HD2 H 3.5160 . . 821 74 74 PRO HD3 H 3.5160 . 2 822 74 74 PRO HG2 H 2.0600 . . 823 74 74 PRO HG3 H 2.1700 . 2 824 74 74 PRO CA C 62.5080 . 1 825 74 74 PRO CB C 31.5770 . 1 826 74 74 PRO CD C 49.6090 . 1 827 74 74 PRO CG C 28.4460 . 1 828 75 75 ASP H H 8.5880 . 1 829 75 75 ASP HA H 4.6300 . 1 830 75 75 ASP HB2 H 2.4850 . . 831 75 75 ASP HB3 H 2.7690 . 2 832 75 75 ASP CA C 53.4900 . 1 833 75 75 ASP CB C 42.0700 . 1 834 75 75 ASP N N 121.6400 . 1 835 76 76 SER H H 7.2820 . 1 836 76 76 SER HA H 4.6820 . 1 837 76 76 SER HB2 H 3.8670 . . 838 76 76 SER HB3 H 4.1820 . 2 839 76 76 SER CA C 56.0200 . 1 840 76 76 SER CB C 66.5500 . 1 841 76 76 SER N N 110.2100 . 1 842 77 77 PHE H H 9.1190 . 1 843 77 77 PHE HA H 3.9660 . 1 844 77 77 PHE HB2 H 2.9000 . . 845 77 77 PHE HB3 H 3.2580 . 2 846 77 77 PHE HD1 H 7.1500 . 3 847 77 77 PHE HD2 H 7.1300 . 3 848 77 77 PHE HE1 H 7.1700 . 3 849 77 77 PHE HE2 H 7.1700 . 3 850 77 77 PHE HZ H 7.2700 . 1 851 77 77 PHE CA C 62.2400 . 1 852 77 77 PHE CB C 39.2200 . 1 853 77 77 PHE CD1 C 131.2800 . 3 854 77 77 PHE CD2 C 131.1100 . 3 855 77 77 PHE CE1 C 129.4800 . 3 856 77 77 PHE CE2 C 129.4800 . 3 857 77 77 PHE CZ C 130.9500 . 1 858 77 77 PHE N N 123.4500 . 1 859 78 78 GLU H H 9.0500 . 1 860 78 78 GLU HA H 3.7540 . 1 861 78 78 GLU HB2 H 2.0570 . . 862 78 78 GLU HB3 H 1.8210 . 2 863 78 78 GLU HG2 H 2.4090 . . 864 78 78 GLU HG3 H 2.2830 . 2 865 78 78 GLU CA C 60.6600 . 1 866 78 78 GLU CB C 29.0200 . 1 867 78 78 GLU CG C 37.2790 . 1 868 78 78 GLU N N 116.8100 . 1 869 79 79 GLN H H 7.5300 . 1 870 79 79 GLN HA H 3.5710 . 1 871 79 79 GLN HB2 H 1.2530 . . 872 79 79 GLN HB3 H 1.6460 . 2 873 79 79 GLN HE21 H 6.8500 . 2 874 79 79 GLN HE22 H 7.7100 . 2 875 79 79 GLN HG2 H 0.7170 . . 876 79 79 GLN HG3 H 2.0390 . 2 877 79 79 GLN CA C 59.2000 . 1 878 79 79 GLN CB C 28.8100 . 1 879 79 79 GLN CG C 33.3700 . 1 880 79 79 GLN N N 117.9700 . 1 881 79 79 GLN NE2 N 114.4100 . 1 882 80 80 LYS H H 7.3740 . 1 883 80 80 LYS HA H 3.8790 . 1 884 80 80 LYS HB2 H 1.7270 . . 885 80 80 LYS HB3 H 1.7270 . 2 886 80 80 LYS HD2 H 1.6510 . . 887 80 80 LYS HD3 H 1.6510 . 2 888 80 80 LYS HE2 H 3.1330 . . 889 80 80 LYS HE3 H 3.1330 . 2 890 80 80 LYS HG2 H 0.8000 . . 891 80 80 LYS HG3 H 0.8000 . 2 892 80 80 LYS CA C 60.1700 . 1 893 80 80 LYS CB C 32.6200 . 1 894 80 80 LYS CD C 29.0650 . 1 895 80 80 LYS CE C 46.8510 . 1 896 80 80 LYS CG C 23.9860 . 1 897 80 80 LYS N N 119.4700 . 1 898 81 81 VAL H H 8.1750 . 1 899 81 81 VAL HA H 2.9730 . 1 900 81 81 VAL HB H 1.8270 . 1 901 81 81 VAL HG1 H 0.6790 . . 902 81 81 VAL HG2 H 0.3140 . . 903 81 81 VAL CA C 66.8500 . 1 904 81 81 VAL CB C 31.4300 . 1 905 81 81 VAL CG1 C 21.6510 . 2 906 81 81 VAL CG2 C 24.8340 . 2 907 81 81 VAL N N 118.5400 . 1 908 82 82 LEU H H 8.0340 . 1 909 82 82 LEU HA H 4.0330 . 1 910 82 82 LEU HB2 H 1.7850 . . 911 82 82 LEU HB3 H 2.0790 . 2 912 82 82 LEU HD1 H 0.9490 . . 913 82 82 LEU HD2 H 0.9280 . . 914 82 82 LEU HG H 1.3850 . 1 915 82 82 LEU CA C 58.6100 . 1 916 82 82 LEU CB C 40.8600 . 1 917 82 82 LEU CD1 C 25.4570 . 2 918 82 82 LEU CD2 C 22.4180 . 2 919 82 82 LEU CG C 27.5910 . 1 920 82 82 LEU N N 122.3200 . 1 921 83 83 ASN H H 8.1720 . 1 922 83 83 ASN HA H 3.7760 . 1 923 83 83 ASN HB2 H 2.6520 . . 924 83 83 ASN HB3 H 2.6520 . 2 925 83 83 ASN HD21 H 7.1910 . 2 926 83 83 ASN HD22 H 7.1910 . 2 927 83 83 ASN CA C 55.9600 . 1 928 83 83 ASN CB C 38.4600 . 1 929 83 83 ASN N N 120.7100 . 1 930 83 83 ASN ND2 N 112.4800 . 1 931 84 84 VAL H H 8.2080 . 1 932 84 84 VAL HA H 3.1870 . 1 933 84 84 VAL HB H 1.6790 . 1 934 84 84 VAL HG1 H 0.1950 . . 935 84 84 VAL HG2 H 0.8540 . . 936 84 84 VAL CA C 67.4100 . 1 937 84 84 VAL CB C 31.4600 . 1 938 84 84 VAL CG1 C 22.4440 . 2 939 84 84 VAL CG2 C 24.1030 . 2 940 84 84 VAL N N 119.3600 . 1 941 85 85 SER H H 8.7960 . 1 942 85 85 SER HA H 4.0220 . 1 943 85 85 SER HB2 H 3.8010 . . 944 85 85 SER HB3 H 3.8010 . 2 945 85 85 SER CA C 62.7200 . 1 946 85 85 SER CB C 68.5200 . 1 947 85 85 SER N N 114.3400 . 1 948 86 86 PHE H H 8.5200 . 1 949 86 86 PHE HA H 4.6830 . 1 950 86 86 PHE HB2 H 3.1880 . . 951 86 86 PHE HB3 H 3.4530 . 2 952 86 86 PHE HD1 H 7.1550 . 3 953 86 86 PHE HD2 H 7.1550 . 3 954 86 86 PHE HE1 H 7.1540 . 3 955 86 86 PHE HE2 H 7.1540 . 3 956 86 86 PHE HZ H 7.2700 . 1 957 86 86 PHE CA C 59.6100 . 1 958 86 86 PHE CB C 38.6000 . 1 959 86 86 PHE CD1 C 131.1100 . 3 960 86 86 PHE CD2 C 131.1100 . 3 961 86 86 PHE CE1 C 129.4800 . 3 962 86 86 PHE CE2 C 129.4800 . 3 963 86 86 PHE CZ C 130.9500 . 1 964 86 86 PHE N N 124.2300 . 1 965 87 87 ALA H H 8.5550 . 1 966 87 87 ALA HA H 3.6540 . 1 967 87 87 ALA HB H 1.3940 . . 968 87 87 ALA CA C 55.8400 . 1 969 87 87 ALA CB C 17.3900 . 1 970 87 87 ALA N N 121.6400 . 1 971 88 88 PHE H H 8.8980 . 1 972 88 88 PHE HA H 4.7600 . 1 973 88 88 PHE HB2 H 3.7770 . . 974 88 88 PHE HB3 H 3.0810 . 2 975 88 88 PHE HD1 H 7.2160 . 3 976 88 88 PHE HD2 H 7.2160 . 3 977 88 88 PHE HE1 H 7.1700 . 3 978 88 88 PHE HE2 H 7.1700 . 3 979 88 88 PHE HZ H 7.2700 . 1 980 88 88 PHE CA C 57.5300 . 1 981 88 88 PHE CB C 36.5800 . 1 982 88 88 PHE CD1 C 129.7400 . 3 983 88 88 PHE CD2 C 129.7400 . 3 984 88 88 PHE CE1 C 129.4800 . 3 985 88 88 PHE CE2 C 129.4800 . 3 986 88 88 PHE CZ C 130.9500 . 1 987 88 88 PHE N N 117.4200 . 1 988 89 89 GLU H H 8.2250 . 1 989 89 89 GLU HA H 4.0360 . 1 990 89 89 GLU HB2 H 2.2670 . . 991 89 89 GLU HB3 H 2.3660 . 2 992 89 89 GLU HG2 H 2.2460 . . 993 89 89 GLU HG3 H 2.4850 . 2 994 89 89 GLU CA C 60.1600 . 1 995 89 89 GLU CB C 28.9300 . 1 996 89 89 GLU CG C 35.9130 . 1 997 89 89 GLU N N 124.7700 . 1 998 90 90 LEU H H 8.3930 . 1 999 90 90 LEU HA H 3.9260 . 1 1000 90 90 LEU HB2 H 1.2050 . . 1001 90 90 LEU HB3 H 1.8730 . 2 1002 90 90 LEU HD1 H 0.3520 . . 1003 90 90 LEU HD2 H 0.5340 . . 1004 90 90 LEU CA C 57.6600 . 1 1005 90 90 LEU CB C 40.7100 . 1 1006 90 90 LEU CD1 C 25.4990 . 2 1007 90 90 LEU CD2 C 20.7980 . 2 1008 90 90 LEU N N 119.7800 . 1 1009 91 91 MET H H 8.4400 . 1 1010 91 91 MET HA H 3.9150 . 1 1011 91 91 MET HB2 H 1.8720 . . 1012 91 91 MET HB3 H 1.8720 . 2 1013 91 91 MET HE H 2.0600 . . 1014 91 91 MET HG2 H 3.0930 . . 1015 91 91 MET HG3 H 3.0930 . 2 1016 91 91 MET CA C 60.0700 . 1 1017 91 91 MET CB C 31.4600 . 1 1018 91 91 MET CE C 18.2800 . 1 1019 91 91 MET CG C 34.1970 . 1 1020 91 91 MET N N 118.8100 . 1 1021 92 92 GLN H H 7.7850 . 1 1022 92 92 GLN HA H 4.7090 . 1 1023 92 92 GLN HB2 H 2.2370 . . 1024 92 92 GLN HB3 H 2.2370 . 2 1025 92 92 GLN HE21 H 6.8500 . 2 1026 92 92 GLN HE22 H 7.7100 . 2 1027 92 92 GLN HG2 H 3.1420 . . 1028 92 92 GLN HG3 H 3.1420 . 2 1029 92 92 GLN CA C 58.4200 . 1 1030 92 92 GLN CB C 29.9200 . 1 1031 92 92 GLN CG C 35.4610 . 1 1032 92 92 GLN N N 120.7400 . 1 1033 92 92 GLN NE2 N 114.4100 . 1 1034 93 93 ASP H H 8.8880 . 1 1035 93 93 ASP HA H 4.3630 . 1 1036 93 93 ASP HB2 H 2.6060 . . 1037 93 93 ASP HB3 H 2.7360 . 2 1038 93 93 ASP CA C 57.2100 . 1 1039 93 93 ASP CB C 40.0000 . 1 1040 93 93 ASP N N 124.0800 . 1 1041 94 94 GLY H H 7.5160 . 1 1042 94 94 GLY HA2 H 3.5380 . . 1043 94 94 GLY HA3 H 4.2450 . 2 1044 94 94 GLY CA C 45.2700 . 1 1045 94 94 GLY N N 104.6400 . 1 1046 95 95 GLY H H 7.7330 . 1 1047 95 95 GLY HA2 H 3.5850 . . 1048 95 95 GLY HA3 H 4.3670 . 2 1049 95 95 GLY CA C 44.7600 . 1 1050 95 95 GLY N N 105.9200 . 1 1051 96 96 LEU H H 7.6340 . 1 1052 96 96 LEU HA H 4.1840 . 1 1053 96 96 LEU HB2 H 1.5600 . . 1054 96 96 LEU HB3 H 1.6200 . 2 1055 96 96 LEU HD1 H 0.7720 . . 1056 96 96 LEU HD2 H 0.8360 . . 1057 96 96 LEU CA C 55.2500 . 1 1058 96 96 LEU CB C 42.0900 . 1 1059 96 96 LEU CD1 C 25.6100 . 2 1060 96 96 LEU CD2 C 23.1700 . 2 1061 96 96 LEU CG C 27.5910 . 1 1062 96 96 LEU N N 122.5100 . 1 1063 97 97 GLU H H 8.1720 . 1 1064 97 97 GLU HA H 4.2800 . 1 1065 97 97 GLU HB2 H 1.8490 . . 1066 97 97 GLU HB3 H 1.9840 . 2 1067 97 97 GLU HG2 H 2.2490 . . 1068 97 97 GLU HG3 H 2.4000 . 2 1069 97 97 GLU CA C 56.6300 . 1 1070 97 97 GLU CB C 30.0800 . 1 1071 97 97 GLU CG C 36.4560 . 1 1072 97 97 GLU N N 120.7100 . 1 1073 98 98 LYS H H 8.4230 . 1 1074 98 98 LYS HA H 3.7680 . 1 1075 98 98 LYS HB2 H 2.2200 . . 1076 98 98 LYS HB3 H 2.2200 . 2 1077 98 98 LYS HD2 H 1.6410 . . 1078 98 98 LYS HD3 H 1.6410 . 2 1079 98 98 LYS HE2 H 2.9930 . . 1080 98 98 LYS HE3 H 2.9930 . 2 1081 98 98 LYS HG2 H 1.2520 . . 1082 98 98 LYS HG3 H 1.4070 . 2 1083 98 98 LYS CA C 55.5100 . 1 1084 98 98 LYS CB C 32.9500 . 1 1085 98 98 LYS CD C 29.3200 . 1 1086 98 98 LYS CE C 41.8700 . 1 1087 98 98 LYS CG C 23.7370 . 1 1088 98 98 LYS N N 124.1500 . 1 1089 99 99 PRO HA H 4.2700 . 1 1090 99 99 PRO HB2 H 1.5580 . . 1091 99 99 PRO HB3 H 2.1690 . 2 1092 99 99 PRO HD2 H 3.0380 . . 1093 99 99 PRO HD3 H 3.7610 . 2 1094 99 99 PRO HG2 H 1.9140 . . 1095 99 99 PRO HG3 H 1.9140 . 2 1096 99 99 PRO CA C 62.8620 . 1 1097 99 99 PRO CB C 32.0150 . 1 1098 99 99 PRO CD C 51.2680 . 1 1099 99 99 PRO CG C 27.8600 . 1 1100 100 100 LYS H H 8.9130 . 1 1101 100 100 LYS HA H 4.1330 . 1 1102 100 100 LYS HB2 H 1.6330 . . 1103 100 100 LYS HB3 H 2.4850 . 2 1104 100 100 LYS HD2 H 1.5080 . . 1105 100 100 LYS HD3 H 1.5080 . 2 1106 100 100 LYS HE2 H 2.8860 . . 1107 100 100 LYS HE3 H 2.9560 . 2 1108 100 100 LYS HG2 H 1.2960 . . 1109 100 100 LYS HG3 H 1.2960 . 2 1110 100 100 LYS CA C 58.9080 . 1 1111 100 100 LYS CB C 31.5360 . 1 1112 100 100 LYS CD C 28.4900 . 1 1113 100 100 LYS CE C 41.8700 . 1 1114 100 100 LYS CG C 25.7700 . 1 1115 100 100 LYS N N 122.7500 . 1 1116 101 101 PRO HA H 4.4800 . 1 1117 101 101 PRO HB2 H 2.4880 . . 1118 101 101 PRO HB3 H 1.6280 . 2 1119 101 101 PRO HD2 H 3.1020 . . 1120 101 101 PRO HD3 H 3.6390 . 2 1121 101 101 PRO HG2 H 1.8880 . . 1122 101 101 PRO HG3 H 2.1200 . 2 1123 101 101 PRO CA C 63.3360 . 1 1124 101 101 PRO CB C 31.3570 . 1 1125 101 101 PRO CD C 50.4800 . 1 1126 101 101 PRO CG C 28.3850 . 1 1127 102 102 ARG H H 8.4950 . 1 1128 102 102 ARG HA H 4.6080 . 1 1129 102 102 ARG HB2 H 2.2670 . . 1130 102 102 ARG HB3 H 2.2670 . 2 1131 102 102 ARG HD2 H 3.2700 . . 1132 102 102 ARG HD3 H 3.2700 . 2 1133 102 102 ARG HE H 7.0960 . 1 1134 102 102 ARG HG2 H 1.8210 . . 1135 102 102 ARG HG3 H 1.8810 . 2 1136 102 102 ARG CA C 54.5000 . 1 1137 102 102 ARG CB C 28.9200 . 1 1138 102 102 ARG CD C 43.4400 . 1 1139 102 102 ARG CG C 27.1200 . 1 1140 102 102 ARG N N 120.4100 . 1 1141 102 102 ARG NE N 149.1080 . 1 1142 103 103 PRO HA H 3.8870 . 1 1143 103 103 PRO HB2 H 1.7370 . . 1144 103 103 PRO HB3 H 1.7370 . 2 1145 103 103 PRO HD2 H 3.8370 . . 1146 103 103 PRO HD3 H 3.9410 . 2 1147 103 103 PRO HG2 H 1.8120 . . 1148 103 103 PRO HG3 H 2.1880 . 2 1149 103 103 PRO CA C 65.7610 . 1 1150 103 103 PRO CB C 31.9370 . 1 1151 103 103 PRO CD C 49.6500 . 1 1152 103 103 PRO CG C 28.0950 . 1 1153 104 104 GLU H H 10.1990 . 1 1154 104 104 GLU HA H 3.6200 . 1 1155 104 104 GLU HB2 H 1.9040 . . 1156 104 104 GLU HB3 H 1.9040 . 2 1157 104 104 GLU HG2 H 2.2900 . . 1158 104 104 GLU HG3 H 2.6060 . 2 1159 104 104 GLU CA C 60.9200 . 1 1160 104 104 GLU CB C 28.7900 . 1 1161 104 104 GLU CG C 37.4190 . 1 1162 104 104 GLU N N 115.8400 . 1 1163 105 105 ASP H H 7.7840 . 1 1164 105 105 ASP HA H 4.4680 . 1 1165 105 105 ASP HB2 H 2.7730 . . 1166 105 105 ASP HB3 H 2.9950 . 2 1167 105 105 ASP CA C 57.8900 . 1 1168 105 105 ASP CB C 40.5900 . 1 1169 105 105 ASP N N 118.2200 . 1 1170 106 106 ILE H H 7.0880 . 1 1171 106 106 ILE HA H 3.7900 . 1 1172 106 106 ILE HB H 2.3930 . 1 1173 106 106 ILE HD1 H 0.7080 . . 1174 106 106 ILE HG12 H 1.3160 . . 1175 106 106 ILE HG13 H 1.6600 . 2 1176 106 106 ILE HG2 H 0.8650 . . 1177 106 106 ILE CA C 61.6800 . 1 1178 106 106 ILE CB C 36.0800 . 1 1179 106 106 ILE CD1 C 9.8100 . 1 1180 106 106 ILE CG1 C 28.2140 . 1 1181 106 106 ILE CG2 C 18.0250 . 1 1182 106 106 ILE N N 117.3900 . 1 1183 107 107 VAL H H 7.4070 . 1 1184 107 107 VAL HA H 4.6120 . 1 1185 107 107 VAL HB H 1.6860 . 1 1186 107 107 VAL HG1 H 0.7570 . . 1187 107 107 VAL HG2 H 0.7570 . . 1188 107 107 VAL CA C 64.8200 . 1 1189 107 107 VAL CB C 31.2600 . 1 1190 107 107 VAL CG1 C 21.4280 . 2 1191 107 107 VAL CG2 C 23.4100 . 2 1192 107 107 VAL N N 123.8600 . 1 1193 108 108 ASN H H 8.2260 . 1 1194 108 108 ASN HA H 4.8600 . 1 1195 108 108 ASN HB2 H 2.8530 . . 1196 108 108 ASN HB3 H 3.0640 . 2 1197 108 108 ASN HD21 H 6.8500 . 2 1198 108 108 ASN HD22 H 7.6400 . 2 1199 108 108 ASN CA C 53.1000 . 1 1200 108 108 ASN CB C 37.7600 . 1 1201 108 108 ASN N N 113.8300 . 1 1202 108 108 ASN ND2 N 112.4800 . 1 1203 109 109 CYS H H 8.1380 . 1 1204 109 109 CYS HA H 4.2400 . 1 1205 109 109 CYS HB2 H 3.2350 . . 1206 109 109 CYS HB3 H 3.3760 . 2 1207 109 109 CYS CA C 60.2000 . 1 1208 109 109 CYS CB C 24.7300 . 1 1209 109 109 CYS N N 113.6200 . 1 1210 110 110 ASP H H 8.1750 . 1 1211 110 110 ASP HA H 4.6900 . 1 1212 110 110 ASP HB2 H 2.6080 . . 1213 110 110 ASP HB3 H 2.7300 . 2 1214 110 110 ASP CA C 55.2610 . 1 1215 110 110 ASP CB C 42.0660 . 1 1216 110 110 ASP N N 118.0400 . 1 1217 111 111 LEU H H 9.2450 . 1 1218 111 111 LEU HA H 4.1690 . 1 1219 111 111 LEU HB2 H 1.8190 . . 1220 111 111 LEU HB3 H 1.9170 . 2 1221 111 111 LEU HD1 H 1.0750 . . 1222 111 111 LEU HD2 H 0.9180 . . 1223 111 111 LEU CA C 58.8500 . 1 1224 111 111 LEU CB C 41.8700 . 1 1225 111 111 LEU CD1 C 25.8630 . 2 1226 111 111 LEU CD2 C 22.7470 . 2 1227 111 111 LEU CG C 25.8630 . 1 1228 111 111 LEU N N 135.9100 . 1 1229 112 112 LYS H H 8.8500 . 1 1230 112 112 LYS HA H 3.4280 . 1 1231 112 112 LYS HB2 H 1.2820 . . 1232 112 112 LYS HB3 H 1.5670 . 2 1233 112 112 LYS HD2 H 1.4440 . . 1234 112 112 LYS HD3 H 1.4440 . 2 1235 112 112 LYS HE2 H 2.5650 . . 1236 112 112 LYS HE3 H 2.6650 . 2 1237 112 112 LYS HG2 H 0.7380 . . 1238 112 112 LYS HG3 H 0.9870 . 2 1239 112 112 LYS CA C 61.2200 . 1 1240 112 112 LYS CB C 31.4300 . 1 1241 112 112 LYS CD C 29.1240 . 1 1242 112 112 LYS CE C 41.4770 . 1 1243 112 112 LYS CG C 25.7200 . 1 1244 112 112 LYS N N 119.5400 . 1 1245 113 113 SER H H 7.9120 . 1 1246 113 113 SER HA H 4.8620 . 1 1247 113 113 SER HB2 H 3.4910 . . 1248 113 113 SER HB3 H 3.9050 . 2 1249 113 113 SER CA C 63.0800 . 1 1250 113 113 SER CB C 65.8060 . 1 1251 113 113 SER N N 113.9600 . 1 1252 114 114 THR H H 7.9200 . 1 1253 114 114 THR HA H 3.4900 . 1 1254 114 114 THR HB H 4.2430 . 1 1255 114 114 THR HG2 H 1.0730 . . 1256 114 114 THR CA C 67.3900 . 1 1257 114 114 THR CB C 68.5000 . 1 1258 114 114 THR CG2 C 19.9620 . 1 1259 114 114 THR N N 118.8400 . 1 1260 115 115 LEU H H 8.8470 . 1 1261 115 115 LEU HA H 3.7580 . 1 1262 115 115 LEU HB2 H 1.2360 . . 1263 115 115 LEU HB3 H 1.9720 . 2 1264 115 115 LEU HD1 H 0.8940 . . 1265 115 115 LEU HD2 H 0.7520 . . 1266 115 115 LEU CA C 58.0300 . 1 1267 115 115 LEU CB C 41.2900 . 1 1268 115 115 LEU CD1 C 26.6340 . 2 1269 115 115 LEU CD2 C 23.5330 . 2 1270 115 115 LEU CG C 33.6640 . 1 1271 115 115 LEU N N 118.6000 . 1 1272 116 116 ARG H H 8.1040 . 1 1273 116 116 ARG HA H 4.3350 . 1 1274 116 116 ARG HB2 H 1.5160 . . 1275 116 116 ARG HB3 H 1.5840 . 2 1276 116 116 ARG HD2 H 2.9220 . . 1277 116 116 ARG HD3 H 2.9220 . 2 1278 116 116 ARG HE H 7.0960 . 1 1279 116 116 ARG HG2 H 0.5940 . . 1280 116 116 ARG HG3 H 1.1120 . 2 1281 116 116 ARG CA C 59.7000 . 1 1282 116 116 ARG CB C 30.3900 . 1 1283 116 116 ARG CD C 43.5600 . 1 1284 116 116 ARG CG C 26.3210 . 1 1285 116 116 ARG N N 119.8900 . 1 1286 116 116 ARG NE N 149.1080 . 1 1287 117 117 VAL H H 7.4390 . 1 1288 117 117 VAL HA H 3.5710 . 1 1289 117 117 VAL HB H 2.1070 . 1 1290 117 117 VAL HG1 H 0.8660 . . 1291 117 117 VAL HG2 H 1.0070 . . 1292 117 117 VAL CA C 65.6000 . 1 1293 117 117 VAL CB C 31.9900 . 1 1294 117 117 VAL CG1 C 21.6010 . 2 1295 117 117 VAL CG2 C 23.4960 . 2 1296 117 117 VAL N N 115.9600 . 1 1297 118 118 LEU H H 7.9200 . 1 1298 118 118 LEU HA H 3.9220 . 1 1299 118 118 LEU HB2 H 1.1010 . . 1300 118 118 LEU HB3 H 1.8840 . 2 1301 118 118 LEU HD1 H 0.1330 . . 1302 118 118 LEU HD2 H 0.3030 . . 1303 118 118 LEU CA C 57.7600 . 1 1304 118 118 LEU CB C 43.2900 . 1 1305 118 118 LEU CD1 C 21.0600 . 2 1306 118 118 LEU CD2 C 26.4880 . 2 1307 118 118 LEU N N 118.8400 . 1 1308 119 119 TYR H H 9.3940 . 1 1309 119 119 TYR HA H 4.0300 . 1 1310 119 119 TYR HB2 H 2.8920 . . 1311 119 119 TYR HB3 H 3.0400 . 2 1312 119 119 TYR HD1 H 6.9150 . 3 1313 119 119 TYR HD2 H 6.9150 . 3 1314 119 119 TYR HE1 H 6.8300 . 3 1315 119 119 TYR HE2 H 6.8300 . 3 1316 119 119 TYR CA C 62.3000 . 1 1317 119 119 TYR CB C 38.8000 . 1 1318 119 119 TYR CD1 C 132.4900 . 3 1319 119 119 TYR CD2 C 132.4900 . 3 1320 119 119 TYR CE1 C 118.2900 . 3 1321 119 119 TYR CE2 C 118.2900 . 3 1322 119 119 TYR N N 122.1000 . 1 1323 120 120 ASN H H 8.0640 . 1 1324 120 120 ASN HA H 4.4490 . 1 1325 120 120 ASN HB2 H 2.6440 . . 1326 120 120 ASN HB3 H 2.8690 . 2 1327 120 120 ASN HD21 H 6.8500 . 2 1328 120 120 ASN HD22 H 7.8450 . 2 1329 120 120 ASN CA C 55.2600 . 1 1330 120 120 ASN CB C 37.3380 . 1 1331 120 120 ASN N N 117.7600 . 1 1332 120 120 ASN ND2 N 112.4800 . 1 1333 121 121 LEU H H 7.3750 . 1 1334 121 121 LEU HA H 4.2530 . 1 1335 121 121 LEU HB2 H 1.4800 . . 1336 121 121 LEU HB3 H 2.3080 . 2 1337 121 121 LEU HD1 H 0.8420 . . 1338 121 121 LEU HD2 H 1.0120 . . 1339 121 121 LEU CA C 57.7000 . 1 1340 121 121 LEU CB C 42.0800 . 1 1341 121 121 LEU CD1 C 25.9330 . 2 1342 121 121 LEU CD2 C 23.5420 . 2 1343 121 121 LEU CG C 29.3730 . 1 1344 121 121 LEU N N 118.8000 . 1 1345 122 122 PHE H H 8.3280 . 1 1346 122 122 PHE HA H 2.6620 . 1 1347 122 122 PHE HB2 H 2.2080 . . 1348 122 122 PHE HB3 H 2.2080 . 2 1349 122 122 PHE HD1 H 6.2990 . 3 1350 122 122 PHE HD2 H 7.1860 . 3 1351 122 122 PHE HE1 H 7.1700 . 3 1352 122 122 PHE HE2 H 7.1700 . 3 1353 122 122 PHE HZ H 7.2120 . 1 1354 122 122 PHE CA C 60.3200 . 1 1355 122 122 PHE CB C 38.8100 . 1 1356 122 122 PHE CD1 C 130.8500 . 3 1357 122 122 PHE CD2 C 132.3700 . 3 1358 122 122 PHE CE1 C 129.4800 . 3 1359 122 122 PHE CE2 C 129.4800 . 3 1360 122 122 PHE CZ C 130.9500 . 1 1361 122 122 PHE N N 122.1100 . 1 1362 123 123 THR H H 8.1060 . 1 1363 123 123 THR HA H 3.1100 . 1 1364 123 123 THR HB H 3.9240 . 1 1365 123 123 THR HG2 H 0.8900 . . 1366 123 123 THR CA C 65.6500 . 1 1367 123 123 THR CB C 68.4200 . 1 1368 123 123 THR CG2 C 21.3380 . 1 1369 123 123 THR N N 110.0500 . 1 1370 124 124 LYS H H 6.8350 . 1 1371 124 124 LYS HA H 3.8970 . 1 1372 124 124 LYS HB2 H 1.4260 . . 1373 124 124 LYS HB3 H 1.5440 . 2 1374 124 124 LYS HD2 H 1.0380 . . 1375 124 124 LYS HD3 H 1.2620 . 2 1376 124 124 LYS HE2 H 2.6010 . . 1377 124 124 LYS HE3 H 2.5200 . 2 1378 124 124 LYS HG2 H -0.0760 . . 1379 124 124 LYS HG3 H 0.5660 . 2 1380 124 124 LYS CA C 58.5000 . 1 1381 124 124 LYS CB C 33.2200 . 1 1382 124 124 LYS CD C 29.2200 . 1 1383 124 124 LYS CE C 42.4400 . 1 1384 124 124 LYS CG C 24.4400 . 1 1385 124 124 LYS N N 119.3300 . 1 1386 125 125 TYR H H 8.3510 . 1 1387 125 125 TYR HA H 4.6830 . 1 1388 125 125 TYR HB2 H 3.4550 . . 1389 125 125 TYR HB3 H 3.4550 . 2 1390 125 125 TYR HD1 H 7.2940 . 3 1391 125 125 TYR HD2 H 7.2940 . 3 1392 125 125 TYR HE1 H 6.8300 . 3 1393 125 125 TYR HE2 H 6.8300 . 3 1394 125 125 TYR CA C 58.7900 . 1 1395 125 125 TYR CB C 38.5300 . 1 1396 125 125 TYR CD1 C 134.1300 . 3 1397 125 125 TYR CD2 C 134.1300 . 3 1398 125 125 TYR CE1 C 118.2900 . 3 1399 125 125 TYR CE2 C 118.2900 . 3 1400 125 125 TYR N N 114.5800 . 1 1401 126 126 ARG H H 7.3700 . 1 1402 126 126 ARG HA H 3.7850 . 1 1403 126 126 ARG HB2 H 1.0420 . . 1404 126 126 ARG HB3 H 1.4140 . 2 1405 126 126 ARG HD2 H 2.4680 . . 1406 126 126 ARG HD3 H 2.5980 . 2 1407 126 126 ARG HE H 7.0960 . 1 1408 126 126 ARG HG2 H 1.0160 . . 1409 126 126 ARG HG3 H 1.2270 . 2 1410 126 126 ARG CA C 59.1600 . 1 1411 126 126 ARG CB C 29.4700 . 1 1412 126 126 ARG CD C 43.4370 . 1 1413 126 126 ARG CG C 24.8320 . 1 1414 126 126 ARG N N 121.1600 . 1 1415 126 126 ARG NE N 149.1080 . 1 1416 127 127 ASN H H 8.5730 . 1 1417 127 127 ASN HA H 4.8720 . 1 1418 127 127 ASN HB2 H 2.8980 . . 1419 127 127 ASN HB3 H 2.5990 . 2 1420 127 127 ASN HD21 H 6.8550 . 2 1421 127 127 ASN HD22 H 6.8550 . 2 1422 127 127 ASN CA C 53.1400 . 1 1423 127 127 ASN CB C 38.7300 . 1 1424 127 127 ASN N N 115.1000 . 1 1425 127 127 ASN ND2 N 112.4800 . 1 1426 128 128 VAL H H 7.7400 . 1 1427 128 128 VAL HA H 3.9550 . 1 1428 128 128 VAL HB H 2.2250 . 1 1429 128 128 VAL HG1 H 1.2380 . . 1430 128 128 VAL HG2 H 1.1420 . . 1431 128 128 VAL CA C 63.9900 . 1 1432 128 128 VAL CB C 32.2600 . 1 1433 128 128 VAL CG1 C 22.7000 . 2 1434 128 128 VAL CG2 C 21.2000 . 2 1435 128 128 VAL N N 122.0000 . 1 1436 129 129 GLU H H 8.5300 . 1 1437 129 129 GLU HA H 4.0760 . 1 1438 129 129 GLU HB2 H 1.8440 . . 1439 129 129 GLU HB3 H 2.0370 . 2 1440 129 129 GLU HG2 H 2.2160 . . 1441 129 129 GLU HG3 H 2.2840 . 2 1442 129 129 GLU CA C 58.3200 . 1 1443 129 129 GLU CB C 30.9000 . 1 1444 129 129 GLU CG C 36.5120 . 1 1445 129 129 GLU N N 133.2900 . 1 stop_ save_ save_assigned_chem_shift_list_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $X-PLOR_NIH stop_ loop_ _Experiment_label '3D HNCACB' '3D CBCA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D HCCH-TOCSY' '3D 1H-13C NOESY' '3D 1H-15N NOESY' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name LD1 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 ASP H H 8.3954 . 1 2 1 1 ASP HA H 4.1490 . 1 3 1 1 ASP HB2 H 2.7610 . . 4 1 1 ASP HB3 H 2.6070 . 2 5 2 2 LEU H H 8.6500 . 1 6 2 2 LEU HA H 4.2230 . 1 7 2 2 LEU HB2 H 1.5240 . . 8 2 2 LEU HB3 H 1.5240 . . 9 2 2 LEU HD1 H 0.8180 . . 10 2 2 LEU HD2 H 0.8180 . . 11 2 2 LEU HG H 1.6630 . 1 12 3 3 ASP H H 8.3400 . 1 13 3 3 ASP HA H 4.4270 . 1 14 3 3 ASP HB2 H 2.6030 . . 15 3 3 ASP HB3 H 2.5030 . 2 16 4 4 ALA H H 8.1270 . 1 17 4 4 ALA HA H 4.1500 . 1 18 4 4 ALA HB H 1.2910 . . 19 5 5 LEU H H 8.1740 . 1 20 5 5 LEU HA H 4.1820 . 1 21 5 5 LEU HB2 H 1.5770 . . 22 5 5 LEU HB3 H 1.5100 . 2 23 5 5 LEU HD1 H 0.8290 . . 24 5 5 LEU HD2 H 0.7660 . . 25 5 5 LEU HG H 1.7120 . 1 26 6 6 LEU H H 8.0450 . 1 27 6 6 LEU HA H 4.2160 . 1 28 6 6 LEU HB2 H 1.5800 . . 29 6 6 LEU HB3 H 1.4970 . 2 30 6 6 LEU HD1 H 0.8250 . . 31 6 6 LEU HD2 H 0.7680 . . 32 6 6 LEU HG H 1.6870 . 1 33 7 7 ALA H H 8.0470 . 1 34 7 7 ALA HA H 4.1800 . 1 35 7 7 ALA HB H 1.2830 . . 36 8 8 ASP H H 8.1650 . 1 37 8 8 ASP HA H 4.5100 . 1 38 8 8 ASP HB2 H 2.6340 . . 39 8 8 ASP HB3 H 2.4940 . 2 40 9 9 LEU H H 8.0810 . 1 41 9 9 LEU HA H 4.2550 . 1 42 9 9 LEU HB2 H 1.5770 . . 43 9 9 LEU HB3 H 1.5770 . . 44 9 9 LEU HD1 H 0.8170 . . 45 9 9 LEU HD2 H 0.7900 . . 46 9 9 LEU HG H 1.6760 . 1 47 10 10 GLU H H 7.8460 . 1 48 10 10 GLU HA H 4.0010 . 1 49 10 10 GLU HB2 H 2.1060 . . 50 10 10 GLU HB3 H 1.7750 . 2 51 10 10 GLU HG2 H 2.1080 . . 52 10 10 GLU HG3 H 1.9330 . 2 stop_ save_