data_18412 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; High Definition Solution Structure of PED/PEA-15 Death Effector Domain ; _BMRB_accession_number 18412 _BMRB_flat_file_name bmr18412.str _Entry_type original _Submission_date 2012-04-20 _Accession_date 2012-04-20 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Twomey Edward C. . 2 Wei Yufeng . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 708 "13C chemical shifts" 472 "15N chemical shifts" 132 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-08-06 original author . stop_ _Original_release_date 2012-08-06 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'High-definition NMR structure of PED/PEA-15 death effector domain reveals details of key polar side chain interactions' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22732408 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Twomey Edward C. . 2 Wei Yufeng . . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_volume 424 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 141 _Page_last 146 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'phosphoprotein enriched in astrocytes 15A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'phosphoprotein enriched in astrocytes 15A' $pea-15 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_pea-15 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common pea-15 _Molecular_mass 10450.842 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; MAEYGTLLQDLTNNITLEDL EQLKSACKEDIPSEKSEEIT TGSAWFSFLESHNKLDKDNL SYIEHIFEISRRPDLLTMVV DYRTRVLKISEEDELDTKLT RIPSAKKYKDIIRQPSEEEI IKLAPPPKKA ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 GLU 4 TYR 5 GLY 6 THR 7 LEU 8 LEU 9 GLN 10 ASP 11 LEU 12 THR 13 ASN 14 ASN 15 ILE 16 THR 17 LEU 18 GLU 19 ASP 20 LEU 21 GLU 22 GLN 23 LEU 24 LYS 25 SER 26 ALA 27 CYS 28 LYS 29 GLU 30 ASP 31 ILE 32 PRO 33 SER 34 GLU 35 LYS 36 SER 37 GLU 38 GLU 39 ILE 40 THR 41 THR 42 GLY 43 SER 44 ALA 45 TRP 46 PHE 47 SER 48 PHE 49 LEU 50 GLU 51 SER 52 HIS 53 ASN 54 LYS 55 LEU 56 ASP 57 LYS 58 ASP 59 ASN 60 LEU 61 SER 62 TYR 63 ILE 64 GLU 65 HIS 66 ILE 67 PHE 68 GLU 69 ILE 70 SER 71 ARG 72 ARG 73 PRO 74 ASP 75 LEU 76 LEU 77 THR 78 MET 79 VAL 80 VAL 81 ASP 82 TYR 83 ARG 84 THR 85 ARG 86 VAL 87 LEU 88 LYS 89 ILE 90 SER 91 GLU 92 GLU 93 ASP 94 GLU 95 LEU 96 ASP 97 THR 98 LYS 99 LEU 100 THR 101 ARG 102 ILE 103 PRO 104 SER 105 ALA 106 LYS 107 LYS 108 TYR 109 LYS 110 ASP 111 ILE 112 ILE 113 ARG 114 GLN 115 PRO 116 SER 117 GLU 118 GLU 119 GLU 120 ILE 121 ILE 122 LYS 123 LEU 124 ALA 125 PRO 126 PRO 127 PRO 128 LYS 129 LYS 130 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 1N3K "Solution Structure Of Phosphoprotein Enriched In Astrocytes 15 Kda (Pea-15)" 100.00 130 100.00 100.00 5.00e-87 PDB 2LS7 "High Definition Solution Structure Of PedPEA-15 Death Effector Domain" 69.23 90 100.00 100.00 1.14e-57 PDB 4IZ5 "Structure Of The Complex Between Erk2 Phosphomimetic Mutant And Pea-15" 100.00 133 100.00 100.00 5.96e-87 PDB 4IZ7 "Structure Of Non-phosphorylated Erk2 Bound To The Pea-15 Death Effector Domain" 73.85 97 100.00 100.00 1.46e-61 PDB 4IZA "Structure Of Dually Phosphorylated Erk2 Bound To The Pea-15 Death Effector Domain" 73.85 97 100.00 100.00 1.46e-61 DBJ BAC40734 "unnamed protein product [Mus musculus]" 100.00 130 99.23 100.00 2.02e-86 DBJ BAE31752 "unnamed protein product [Mus musculus]" 100.00 130 99.23 100.00 2.02e-86 DBJ BAE32041 "unnamed protein product [Mus musculus]" 100.00 130 99.23 100.00 2.02e-86 DBJ BAE36504 "unnamed protein product [Mus musculus]" 100.00 130 99.23 100.00 2.02e-86 DBJ BAE36662 "unnamed protein product [Mus musculus]" 100.00 130 99.23 100.00 2.02e-86 EMBL CAA60387 "PEA-15 protein [Mus musculus]" 100.00 130 99.23 100.00 2.02e-86 EMBL CAA60499 "PEA-15 [Homo sapiens]" 100.00 130 96.92 96.92 6.18e-84 EMBL CAA74076 "Protein Enriched in Diabetes [Homo sapiens]" 100.00 130 100.00 100.00 5.00e-87 EMBL CAB51573 "astrocytic phosphoprotein [Rattus sp.]" 100.00 130 100.00 100.00 5.00e-87 EMBL CAG46533 "PEA15 [Homo sapiens]" 100.00 130 99.23 99.23 2.26e-86 GB AAC97496 "PEA-15 protein [Cricetulus griseus]" 100.00 130 100.00 100.00 5.00e-87 GB AAD56775 "PEA15 protein [Homo sapiens]" 100.00 130 100.00 100.00 5.00e-87 GB AAH02426 "Phosphoprotein enriched in astrocytes 15 [Homo sapiens]" 100.00 130 100.00 100.00 5.00e-87 GB AAH22554 "Phosphoprotein enriched in astrocytes 15 [Homo sapiens]" 100.00 130 100.00 100.00 5.00e-87 GB AAH38282 "Phosphoprotein enriched in astrocytes 15A [Mus musculus]" 100.00 130 99.23 100.00 2.02e-86 REF NP_001013249 "astrocytic phosphoprotein PEA-15 [Rattus norvegicus]" 100.00 130 100.00 100.00 5.00e-87 REF NP_001068924 "astrocytic phosphoprotein PEA-15 [Bos taurus]" 100.00 130 100.00 100.00 5.00e-87 REF NP_001127112 "astrocytic phosphoprotein PEA-15 [Pongo abelii]" 100.00 130 100.00 100.00 5.00e-87 REF NP_001185596 "astrocytic phosphoprotein PEA-15 [Macaca mulatta]" 100.00 130 100.00 100.00 5.00e-87 REF NP_001231780 "astrocytic phosphoprotein PEA-15 [Cricetulus griseus]" 100.00 130 100.00 100.00 5.00e-87 SP Q15121 "RecName: Full=Astrocytic phosphoprotein PEA-15; AltName: Full=15 kDa phosphoprotein enriched in astrocytes; AltName: Full=Phosp" 100.00 130 100.00 100.00 5.00e-87 SP Q5R529 "RecName: Full=Astrocytic phosphoprotein PEA-15; AltName: Full=15 kDa phosphoprotein enriched in astrocytes" 100.00 130 100.00 100.00 5.00e-87 SP Q5U318 "RecName: Full=Astrocytic phosphoprotein PEA-15; AltName: Full=15 kDa phosphoprotein enriched in astrocytes" 100.00 130 100.00 100.00 5.00e-87 SP Q62048 "RecName: Full=Astrocytic phosphoprotein PEA-15; AltName: Full=15 kDa phosphoprotein enriched in astrocytes" 100.00 130 99.23 100.00 2.02e-86 SP Q9Z297 "RecName: Full=Astrocytic phosphoprotein PEA-15; AltName: Full=15 kDa phosphoprotein enriched in astrocytes" 100.00 130 100.00 100.00 5.00e-87 TPG DAA31971 "TPA: phosphoprotein enriched in astrocytes 15 [Bos taurus]" 100.00 130 100.00 100.00 5.00e-87 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $pea-15 Mouse 10090 Eukaryota Metazoa Mus musculus 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 $pea-15 'recombinant technology' . Escherichia coli BL21(DE3) pQE-9 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 $pea-15 1 mM '[U-100% 13C; U-100% 15N]' H2O 93 % 'natural abundance' D2O 7 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.29 loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _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 'ionic strength' 0 . mM pH 7 . pH pressure 1 . atm temperature 298 . K 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 _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 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 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCA' '3D HNCACB' 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 'phosphoprotein enriched in astrocytes 15A' _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 MET HA H 4.4570 . 1 2 1 1 MET HB2 H 2.1310 . . 3 1 1 MET HB3 H 2.0850 . . 4 1 1 MET HG2 H 2.6050 . . 5 1 1 MET HG3 H 2.5280 . . 6 1 1 MET CA C 57.2050 . 1 7 1 1 MET CB C 32.1390 . 1 8 1 1 MET CG C 31.9500 . 1 9 2 2 ALA H H 8.3260 . 1 10 2 2 ALA HA H 4.1990 . 1 11 2 2 ALA HB H 1.4030 . . 12 2 2 ALA CA C 54.6520 . 1 13 2 2 ALA CB C 18.3850 . 1 14 2 2 ALA N N 124.3840 . 1 15 3 3 GLU H H 8.4110 . 1 16 3 3 GLU HA H 4.1980 . 1 17 3 3 GLU HB2 H 2.2310 . . 18 3 3 GLU HG2 H 2.3430 . . 19 3 3 GLU HG3 H 2.3950 . . 20 3 3 GLU CA C 59.4040 . 1 21 3 3 GLU CB C 29.5560 . 1 22 3 3 GLU CG C 36.6030 . 1 23 3 3 GLU N N 118.8000 . 1 24 4 4 TYR H H 8.4480 . 1 25 4 4 TYR HA H 4.0040 . 1 26 4 4 TYR HB2 H 3.4020 . . 27 4 4 TYR HB3 H 2.9220 . . 28 4 4 TYR HD1 H 6.6760 . . 29 4 4 TYR HD2 H 6.6760 . . 30 4 4 TYR HE1 H 6.3660 . . 31 4 4 TYR HE2 H 6.3660 . . 32 4 4 TYR CA C 60.6320 . 1 33 4 4 TYR CB C 38.4020 . 1 34 4 4 TYR CD1 C 132.3450 . . 35 4 4 TYR CD2 C 132.3450 . . 36 4 4 TYR CE1 C 117.8930 . . 37 4 4 TYR CE2 C 117.8930 . . 38 4 4 TYR N N 123.8380 . 1 39 5 5 GLY H H 8.2500 . 1 40 5 5 GLY HA2 H 3.7930 . . 41 5 5 GLY HA3 H 3.4130 . . 42 5 5 GLY CA C 47.1420 . 1 43 5 5 GLY N N 105.8160 . 1 44 6 6 THR H H 7.8680 . 1 45 6 6 THR HA H 3.8020 . 1 46 6 6 THR HB H 4.1780 . 1 47 6 6 THR HG2 H 1.1720 . . 48 6 6 THR CA C 66.4490 . 1 49 6 6 THR CB C 68.3910 . 1 50 6 6 THR CG2 C 22.2650 . 1 51 6 6 THR N N 119.5230 . 1 52 7 7 LEU H H 7.5940 . 1 53 7 7 LEU HA H 4.2390 . 1 54 7 7 LEU HB2 H 1.7970 . . 55 7 7 LEU HB3 H 1.2270 . . 56 7 7 LEU HG H 1.0220 . 1 57 7 7 LEU HD1 H 0.7090 . . 58 7 7 LEU HD2 H 0.3090 . . 59 7 7 LEU CA C 58.2250 . 1 60 7 7 LEU CB C 39.7530 . 1 61 7 7 LEU CG C 27.2800 . 1 62 7 7 LEU CD1 C 25.0930 . . 63 7 7 LEU CD2 C 23.1320 . . 64 7 7 LEU N N 123.5020 . 1 65 8 8 LEU H H 7.6540 . 1 66 8 8 LEU HA H 3.2730 . 1 67 8 8 LEU HB2 H 1.3800 . . 68 8 8 LEU HB3 H 0.9020 . . 69 8 8 LEU HG H 0.6460 . 1 70 8 8 LEU HD1 H 0.1900 . . 71 8 8 LEU HD2 H -0.2500 . . 72 8 8 LEU CA C 58.1340 . 1 73 8 8 LEU CB C 40.1360 . 1 74 8 8 LEU CG C 26.1500 . 1 75 8 8 LEU CD1 C 24.6450 . . 76 8 8 LEU CD2 C 20.4240 . . 77 8 8 LEU N N 115.2220 . 1 78 9 9 GLN H H 7.6880 . 1 79 9 9 GLN HA H 3.8790 . 1 80 9 9 GLN HB2 H 2.1590 . . 81 9 9 GLN HB3 H 2.0920 . . 82 9 9 GLN HG2 H 2.3070 . . 83 9 9 GLN HE21 H 7.3970 . . 84 9 9 GLN HE22 H 6.8870 . . 85 9 9 GLN CA C 58.7760 . 1 86 9 9 GLN CB C 28.9280 . 1 87 9 9 GLN CG C 34.2670 . 1 88 9 9 GLN N N 120.7430 . 1 89 9 9 GLN NE2 N 113.4700 . 1 90 10 10 ASP H H 8.6560 . 1 91 10 10 ASP HA H 4.3330 . 1 92 10 10 ASP HB2 H 2.8250 . . 93 10 10 ASP HB3 H 2.6600 . . 94 10 10 ASP CA C 57.6770 . 1 95 10 10 ASP CB C 39.9370 . 1 96 10 10 ASP N N 122.5540 . 1 97 11 11 LEU H H 8.8050 . 1 98 11 11 LEU HA H 3.8860 . 1 99 11 11 LEU HB2 H 2.0790 . . 100 11 11 LEU HB3 H 1.4070 . . 101 11 11 LEU HD1 H 0.9650 . . 102 11 11 LEU HD2 H 0.7010 . . 103 11 11 LEU CA C 58.4850 . 1 104 11 11 LEU CB C 43.2530 . 1 105 11 11 LEU CD1 C 26.8230 . . 106 11 11 LEU CD2 C 26.2400 . . 107 11 11 LEU N N 119.4080 . 1 108 12 12 THR H H 8.3050 . 1 109 12 12 THR HA H 3.8750 . 1 110 12 12 THR HB H 4.3920 . 1 111 12 12 THR HG2 H 1.3990 . . 112 12 12 THR CA C 67.8290 . 1 113 12 12 THR CB C 68.5210 . 1 114 12 12 THR CG2 C 22.472 . 1 115 12 12 THR N N 113.9450 . 1 116 13 13 ASN H H 8.1800 . 1 117 13 13 ASN HA H 4.5900 . 1 118 13 13 ASN HB2 H 2.9440 . . 119 13 13 ASN HB3 H 2.8750 . . 120 13 13 ASN HD21 H 7.8120 . . 121 13 13 ASN HD22 H 6.9190 . . 122 13 13 ASN CA C 54.6500 . 1 123 13 13 ASN CB C 38.2630 . 1 124 13 13 ASN N N 119.1380 . 1 125 13 13 ASN ND2 N 111.9790 . 1 126 14 14 ASN H H 7.7780 . 1 127 14 14 ASN HA H 4.8260 . 1 128 14 14 ASN HB2 H 2.7950 . . 129 14 14 ASN HB3 H 2.3130 . . 130 14 14 ASN HD21 H 7.8090 . . 131 14 14 ASN HD22 H 7.1680 . . 132 14 14 ASN CA C 53.3580 . 1 133 14 14 ASN CB C 41.4580 . 1 134 14 14 ASN N N 117.9050 . 1 135 14 14 ASN ND2 N 116.0910 . 1 136 15 15 ILE H H 7.2340 . 1 137 15 15 ILE HA H 4.7110 . 1 138 15 15 ILE HB H 1.7510 . 1 139 15 15 ILE HG12 H 1.9380 . . 140 15 15 ILE HG2 H 0.7780 . . 141 15 15 ILE HD1 H 0.7240 . . 142 15 15 ILE CA C 60.8770 . 1 143 15 15 ILE CB C 41.3440 . 1 144 15 15 ILE CG1 C 28.5460 . 1 145 15 15 ILE CG2 C 14.5500 . 1 146 15 15 ILE CD1 C 18.3200 . 1 147 15 15 ILE N N 120.6900 . 1 148 16 16 THR H H 9.1880 . 1 149 16 16 THR HA H 4.5360 . 1 150 16 16 THR HB H 4.7270 . 1 151 16 16 THR HG2 H 1.2610 . . 152 16 16 THR CA C 60.8040 . 1 153 16 16 THR CB C 71.2630 . 1 154 16 16 THR CG2 C 21.6980 . 1 155 16 16 THR N N 120.0660 . 1 156 17 17 LEU H H 8.6620 . 1 157 17 17 LEU HA H 3.9960 . 1 158 17 17 LEU HB2 H 1.7120 . . 159 17 17 LEU HB3 H 1.5530 . . 160 17 17 LEU HG H 1.6730 . 1 161 17 17 LEU HD1 H 0.9480 . . 162 17 17 LEU HD2 H 0.9060 . . 163 17 17 LEU CA C 58.6930 . 1 164 17 17 LEU CB C 41.3270 . 1 165 17 17 LEU CG C 27.1190 . 1 166 17 17 LEU CD1 C 24.3970 . . 167 17 17 LEU CD2 C 24.1200 . . 168 17 17 LEU N N 121.0430 . 1 169 18 18 GLU H H 8.3740 . 1 170 18 18 GLU HA H 3.9470 . 1 171 18 18 GLU HB2 H 1.9340 . . 172 18 18 GLU HB3 H 1.8840 . . 173 18 18 GLU HG2 H 2.2950 . . 174 18 18 GLU HG3 H 2.2070 . . 175 18 18 GLU CA C 59.9860 . 1 176 18 18 GLU CB C 29.1480 . 1 177 18 18 GLU CG C 37.1300 . 1 178 18 18 GLU N N 118.9680 . 1 179 19 19 ASP H H 7.8570 . 1 180 19 19 ASP HA H 4.1430 . 1 181 19 19 ASP HB2 H 3.1320 . . 182 19 19 ASP HB3 H 2.3420 . . 183 19 19 ASP CA C 56.5910 . 1 184 19 19 ASP CB C 41.3120 . 1 185 19 19 ASP N N 121.5420 . 1 186 20 20 LEU H H 8.4120 . 1 187 20 20 LEU HA H 3.4170 . 1 188 20 20 LEU HB2 H 1.9550 . . 189 20 20 LEU HB3 H 1.1960 . . 190 20 20 LEU HG H 1.0900 . 1 191 20 20 LEU HD1 H 0.4460 . . 192 20 20 LEU HD2 H 0.2660 . . 193 20 20 LEU CA C 56.9140 . 1 194 20 20 LEU CB C 41.1020 . 1 195 20 20 LEU CG C 26.3100 . 1 196 20 20 LEU CD1 C 25.6600 . . 197 20 20 LEU CD2 C 22.6400 . . 198 20 20 LEU N N 120.9040 . 1 199 21 21 GLU H H 7.4620 . 1 200 21 21 GLU HA H 3.7980 . 1 201 21 21 GLU HB2 H 2.0270 . . 202 21 21 GLU HG2 H 2.2830 . . 203 21 21 GLU CA C 59.2710 . 1 204 21 21 GLU CB C 28.9170 . 1 205 21 21 GLU CG C 35.6830 . 1 206 21 21 GLU N N 117.1870 . 1 207 22 22 GLN H H 7.1350 . 1 208 22 22 GLN HA H 4.0190 . 1 209 22 22 GLN HB2 H 2.1520 . . 210 22 22 GLN HG2 H 2.3900 . . 211 22 22 GLN HE21 H 7.4120 . . 212 22 22 GLN HE22 H 6.8570 . . 213 22 22 GLN CA C 58.5870 . 1 214 22 22 GLN CB C 28.2350 . 1 215 22 22 GLN CG C 33.6310 . 1 216 22 22 GLN N N 118.6170 . 1 217 22 22 GLN NE2 N 112.5950 . 1 218 23 23 LEU H H 7.8330 . 1 219 23 23 LEU HA H 3.7050 . 1 220 23 23 LEU HB2 H 1.7890 . . 221 23 23 LEU HB3 H 1.1890 . . 222 23 23 LEU HG H 1.5780 . 1 223 23 23 LEU HD1 H 0.7840 . . 224 23 23 LEU HD2 H 0.3570 . . 225 23 23 LEU CA C 57.7850 . 1 226 23 23 LEU CB C 39.6200 . 1 227 23 23 LEU CG C 26.1960 . 1 228 23 23 LEU CD1 C 26.2600 . . 229 23 23 LEU CD2 C 22.5800 . . 230 23 23 LEU N N 121.3250 . 1 231 24 24 LYS H H 8.3070 . 1 232 24 24 LYS HA H 3.6500 . 1 233 24 24 LYS HB2 H 1.5890 . . 234 24 24 LYS HG2 H 1.1820 . . 235 24 24 LYS HD2 H 1.5150 . . 236 24 24 LYS HE2 H 2.4480 . . 237 24 24 LYS CA C 60.5450 . 1 238 24 24 LYS CB C 31.8120 . 1 239 24 24 LYS CG C 25.9190 . 1 240 24 24 LYS CD C 30.0800 . 1 241 24 24 LYS CE C 34.7600 . 1 242 24 24 LYS N N 116.0450 . 1 243 25 25 SER H H 7.7810 . 1 244 25 25 SER HA H 4.1110 . 1 245 25 25 SER HB2 H 3.9270 . . 246 25 25 SER CA C 61.5570 . 1 247 25 25 SER CB C 62.5650 . 1 248 25 25 SER N N 116.0710 . 1 249 26 26 ALA H H 7.7350 . 1 250 26 26 ALA HA H 4.1750 . 1 251 26 26 ALA HB H 1.5170 . . 252 26 26 ALA CA C 54.2490 . 1 253 26 26 ALA CB C 18.7130 . 1 254 26 26 ALA N N 123.4480 . 1 255 27 27 CYS H H 7.3900 . 1 256 27 27 CYS HA H 4.6310 . 1 257 27 27 CYS HB2 H 3.3660 . . 258 27 27 CYS HB3 H 3.1810 . . 259 27 27 CYS CA C 59.3810 . 1 260 27 27 CYS CB C 28.6340 . 1 261 27 27 CYS N N 113.4800 . 1 262 28 28 LYS H H 7.6340 . 1 263 28 28 LYS HA H 3.9450 . 1 264 28 28 LYS HB2 H 1.9840 . . 265 28 28 LYS HB3 H 1.9110 . . 266 28 28 LYS HG2 H 1.4950 . . 267 28 28 LYS HD2 H 1.7570 . . 268 28 28 LYS HE2 H 3.0100 . . 269 28 28 LYS CA C 58.4200 . 1 270 28 28 LYS CB C 31.5470 . 1 271 28 28 LYS CG C 24.5410 . 1 272 28 28 LYS CD C 29.2090 . 1 273 28 28 LYS CE C 42.3020 . 1 274 28 28 LYS N N 118.3540 . 1 275 29 29 GLU H H 8.5520 . 1 276 29 29 GLU HA H 4.1570 . 1 277 29 29 GLU HB2 H 2.1310 . . 278 29 29 GLU HB3 H 1.9870 . . 279 29 29 GLU HG2 H 2.2960 . . 280 29 29 GLU CA C 58.2400 . 1 281 29 29 GLU CB C 28.8640 . 1 282 29 29 GLU CG C 36.6680 . 1 283 29 29 GLU N N 118.8750 . 1 284 30 30 ASP H H 7.9620 . 1 285 30 30 ASP HA H 4.5880 . 1 286 30 30 ASP HB2 H 2.8440 . . 287 30 30 ASP HB3 H 2.5650 . . 288 30 30 ASP CA C 55.8830 . 1 289 30 30 ASP CB C 41.5270 . 1 290 30 30 ASP N N 117.6100 . 1 291 31 31 ILE H H 7.3170 . 1 292 31 31 ILE HA H 4.3670 . 1 293 31 31 ILE HB H 1.7160 . 1 294 31 31 ILE HG12 H 1.4050 . . 295 31 31 ILE HG2 H 0.7690 . . 296 31 31 ILE HD1 H 0.2600 . . 297 31 31 ILE CA C 58.0330 . 1 298 31 31 ILE CB C 38.7690 . 1 299 31 31 ILE CG1 C 26.5000 . 1 300 31 31 ILE CG2 C 13.9300 . 1 301 31 31 ILE CD1 C 16.8600 . 1 302 31 31 ILE N N 116.9300 . 1 303 32 32 PRO HA H 4.4610 . 1 304 32 32 PRO HB2 H 2.4650 . . 305 32 32 PRO HB3 H 1.8420 . . 306 32 32 PRO HG2 H 2.0260 . . 307 32 32 PRO HD2 H 3.7790 . . 308 32 32 PRO HD3 H 3.3250 . . 309 32 32 PRO CA C 62.8450 . 1 310 32 32 PRO CB C 32.5140 . 1 311 32 32 PRO CG C 27.6910 . 1 312 32 32 PRO CD C 51.0400 . 1 313 33 33 SER H H 8.7780 . 1 314 33 33 SER HA H 4.1410 . 1 315 33 33 SER HB2 H 3.8660 . . 316 33 33 SER CA C 61.1250 . 1 317 33 33 SER CB C 63.0000 . 1 318 33 33 SER N N 119.8080 . 1 319 34 34 GLU H H 9.3360 . 1 320 34 34 GLU HA H 4.2050 . 1 321 34 34 GLU HB2 H 2.0200 . . 322 34 34 GLU HG2 H 2.2440 . . 323 34 34 GLU CA C 58.7000 . 1 324 34 34 GLU CB C 28.7120 . 1 325 34 34 GLU CG C 36.2210 . 1 326 34 34 GLU N N 120.9060 . 1 327 35 35 LYS H H 7.6590 . 1 328 35 35 LYS HA H 4.3470 . 1 329 35 35 LYS HB2 H 1.7060 . . 330 35 35 LYS HG2 H 1.3950 . . 331 35 35 LYS HD2 H 1.6880 . . 332 35 35 LYS HE2 H 3.0060 . . 333 35 35 LYS CA C 55.4600 . 1 334 35 35 LYS CB C 32.2570 . 1 335 35 35 LYS CG C 24.6070 . 1 336 35 35 LYS CD C 28.2180 . 1 337 35 35 LYS CE C 42.1880 . 1 338 35 35 LYS N N 117.6980 . 1 339 36 36 SER H H 7.7320 . 1 340 36 36 SER HA H 3.6520 . 1 341 36 36 SER HB2 H 3.8260 . . 342 36 36 SER CA C 61.4500 . 1 343 36 36 SER CB C 62.8200 . 1 344 36 36 SER N N 114.4720 . 1 345 37 37 GLU H H 8.1870 . 1 346 37 37 GLU HA H 3.9700 . 1 347 37 37 GLU HB2 H 1.9460 . . 348 37 37 GLU HG2 H 2.2270 . . 349 37 37 GLU HG3 H 2.1840 . . 350 37 37 GLU CA C 58.1130 . 1 351 37 37 GLU CB C 29.5440 . 1 352 37 37 GLU CG C 36.3580 . 1 353 37 37 GLU N N 118.2580 . 1 354 38 38 GLU H H 7.4720 . 1 355 38 38 GLU HA H 4.1960 . 1 356 38 38 GLU HB2 H 2.1270 . . 357 38 38 GLU HB3 H 2.0260 . . 358 38 38 GLU HG2 H 2.2530 . . 359 38 38 GLU CA C 56.4940 . 1 360 38 38 GLU CB C 30.1020 . 1 361 38 38 GLU CG C 36.4690 . 1 362 38 38 GLU N N 115.6520 . 1 363 39 39 ILE H H 7.5040 . 1 364 39 39 ILE HA H 3.9850 . 1 365 39 39 ILE HB H 1.7780 . 1 366 39 39 ILE HG12 H 1.6030 . . 367 39 39 ILE HG13 H 0.8240 . . 368 39 39 ILE HG2 H 0.8820 . . 369 39 39 ILE HD1 H 0.3880 . . 370 39 39 ILE CA C 60.9190 . 1 371 39 39 ILE CB C 37.4040 . 1 372 39 39 ILE CG1 C 26.8700 . 1 373 39 39 ILE CG2 C 17.9100 . 1 374 39 39 ILE CD1 C 13.8900 . 1 375 39 39 ILE N N 121.3670 . 1 376 40 40 THR H H 8.1730 . 1 377 40 40 THR HA H 4.4590 . 1 378 40 40 THR HB H 4.4160 . 1 379 40 40 THR HG2 H 1.0360 . . 380 40 40 THR CA C 61.1690 . 1 381 40 40 THR CB C 69.9130 . 1 382 40 40 THR CG2 C 21.7100 . 1 383 40 40 THR N N 115.1020 . 1 384 41 41 THR H H 7.1040 . 1 385 41 41 THR HA H 4.6020 . 1 386 41 41 THR HB H 4.5310 . 1 387 41 41 THR HG2 H 1.2100 . . 388 41 41 THR CA C 59.1160 . 1 389 41 41 THR CB C 73.4418 . 1 390 41 41 THR CG2 C 21.9520 . 1 391 41 41 THR N N 108.6640 . 1 392 42 42 GLY H H 9.1960 . 1 393 42 42 GLY HA2 H 3.9310 . . 394 42 42 GLY HA3 H 3.6170 . . 395 42 42 GLY CA C 47.5110 . 1 396 42 42 GLY N N 109.2000 . 1 397 43 43 SER H H 8.2080 . 1 398 43 43 SER HA H 4.3600 . 1 399 43 43 SER HB2 H 3.9640 . . 400 43 43 SER HB3 H 3.9330 . . 401 43 43 SER CA C 61.5230 . 1 402 43 43 SER CB C 62.4480 . 1 403 43 43 SER N N 114.5640 . 1 404 44 44 ALA H H 7.9640 . 1 405 44 44 ALA HA H 4.2810 . 1 406 44 44 ALA HB H 1.6390 . . 407 44 44 ALA CA C 54.5260 . 1 408 44 44 ALA CB C 19.3330 . 1 409 44 44 ALA N N 123.7570 . 1 410 45 45 TRP H H 8.0010 . 1 411 45 45 TRP HA H 4.2280 . 1 412 45 45 TRP HB2 H 3.3980 . . 413 45 45 TRP HB3 H 2.7790 . . 414 45 45 TRP HD1 H 6.7590 . 1 415 45 45 TRP HE1 H 8.9820 . 1 416 45 45 TRP HE3 H 6.7250 . 1 417 45 45 TRP HZ2 H 7.0300 . 1 418 45 45 TRP HZ3 H 6.3290 . 1 419 45 45 TRP HH2 H 6.8160 . 1 420 45 45 TRP CA C 61.6300 . 1 421 45 45 TRP CB C 27.5240 . 1 422 45 45 TRP CD1 C 123.4170 . 1 423 45 45 TRP CE3 C 123.2410 . 1 424 45 45 TRP CZ2 C 113.2510 . 1 425 45 45 TRP CZ3 C 120.4200 . 1 426 45 45 TRP CH2 C 122.5810 . 1 427 45 45 TRP N N 122.9040 . 1 428 45 45 TRP NE1 N 125.9240 . 1 429 46 46 PHE H H 8.2500 . 1 430 46 46 PHE HA H 3.8860 . 1 431 46 46 PHE HB2 H 2.9460 . . 432 46 46 PHE HB3 H 3.0140 . . 433 46 46 PHE HD1 H 6.9490 . . 434 46 46 PHE HD2 H 6.9490 . . 435 46 46 PHE HE1 H 7.2020 . . 436 46 46 PHE HE2 H 7.2020 . . 437 46 46 PHE HZ H 7.2680 . 1 438 46 46 PHE CA C 61.6920 . 1 439 46 46 PHE CB C 37.8450 . 1 440 46 46 PHE CD1 C 131.8140 . . 441 46 46 PHE CD2 C 131.8140 . . 442 46 46 PHE CE1 C 130.8230 . . 443 46 46 PHE CE2 C 130.8230 . . 444 46 46 PHE CZ C 129.2380 . 1 445 46 46 PHE N N 116.6990 . 1 446 47 47 SER H H 8.3310 . 1 447 47 47 SER HA H 4.4190 . 1 448 47 47 SER HB2 H 3.9870 . . 449 47 47 SER CA C 61.7230 . 1 450 47 47 SER CB C 62.7690 . 1 451 47 47 SER N N 113.7400 . 1 452 48 48 PHE H H 8.1750 . 1 453 48 48 PHE HA H 4.2520 . 1 454 48 48 PHE HB2 H 3.3820 . . 455 48 48 PHE HB3 H 3.2660 . . 456 48 48 PHE HD1 H 7.0320 . . 457 48 48 PHE HD2 H 7.0320 . . 458 48 48 PHE HE1 H 6.9410 . . 459 48 48 PHE HE2 H 6.9410 . . 460 48 48 PHE CA C 61.7870 . 1 461 48 48 PHE CB C 38.9310 . 1 462 48 48 PHE CD1 C 131.5370 . . 463 48 48 PHE CD2 C 131.5370 . . 464 48 48 PHE CE1 C 129.7580 . . 465 48 48 PHE CE2 C 129.7580 . . 466 48 48 PHE N N 124.3100 . 1 467 49 49 LEU H H 8.2120 . 1 468 49 49 LEU HA H 3.5220 . 1 469 49 49 LEU HB2 H 1.8060 . . 470 49 49 LEU HG H 1.2840 . 1 471 49 49 LEU HD1 H 0.5160 . . 472 49 49 LEU HD2 H -0.2120 . . 473 49 49 LEU CA C 58.2330 . 1 474 49 49 LEU CB C 41.5250 . 1 475 49 49 LEU CG C 25.3800 . 1 476 49 49 LEU CD1 C 21.7400 . . 477 49 49 LEU CD2 C 25.1900 . . 478 49 49 LEU N N 120.5650 . 1 479 50 50 GLU H H 8.7020 . 1 480 50 50 GLU HA H 4.5760 . 1 481 50 50 GLU HB2 H 2.2880 . . 482 50 50 GLU HB3 H 1.9810 . . 483 50 50 GLU HG2 H 2.5840 . . 484 50 50 GLU CA C 59.1760 . 1 485 50 50 GLU CB C 30.6240 . 1 486 50 50 GLU CG C 36.5340 . 1 487 50 50 GLU N N 120.6390 . 1 488 51 51 SER H H 8.2720 . 1 489 51 51 SER HA H 4.1780 . 1 490 51 51 SER HB2 H 3.8390 . . 491 51 51 SER CA C 60.5750 . 1 492 51 51 SER CB C 62.8810 . 1 493 51 51 SER N N 116.0440 . 1 494 52 52 HIS H H 7.2170 . 1 495 52 52 HIS HA H 4.4040 . 1 496 52 52 HIS HB2 H 2.0950 . . 497 52 52 HIS HB3 H 3.2900 . . 498 52 52 HIS HD2 H 6.4040 . 1 499 52 52 HIS HE1 H 7.6690 . 1 500 52 52 HIS CA C 56.4170 . 1 501 52 52 HIS CB C 28.4200 . 1 502 52 52 HIS CD2 C 120.9830 . 1 503 52 52 HIS CE1 C 137.2920 . 1 504 52 52 HIS N N 118.1340 . 1 505 53 53 ASN H H 7.8930 . 1 506 53 53 ASN HA H 4.5100 . 1 507 53 53 ASN HB2 H 2.6780 . . 508 53 53 ASN HB3 H 3.0180 . . 509 53 53 ASN HD21 H 7.4420 . . 510 53 53 ASN HD22 H 6.7240 . . 511 53 53 ASN CA C 54.8050 . 1 512 53 53 ASN CB C 36.7630 . 1 513 53 53 ASN N N 113.5970 . 1 514 53 53 ASN ND2 N 112.0420 . 1 515 54 54 LYS H H 8.0820 . 1 516 54 54 LYS HA H 4.2350 . 1 517 54 54 LYS HB2 H 1.3350 . . 518 54 54 LYS HB3 H 1.0490 . . 519 54 54 LYS HG2 H 0.8000 . . 520 54 54 LYS HD2 H 1.0300 . . 521 54 54 LYS HE2 H 2.4640 . . 522 54 54 LYS CA C 54.2630 . 1 523 54 54 LYS CB C 33.5450 . 1 524 54 54 LYS CG C 24.1590 . 1 525 54 54 LYS CD C 27.7840 . 1 526 54 54 LYS CE C 42.1990 . 1 527 54 54 LYS N N 113.1230 . 1 528 55 55 LEU H H 6.8820 . 1 529 55 55 LEU HA H 4.6550 . 1 530 55 55 LEU HB2 H 1.4050 . . 531 55 55 LEU HB3 H 1.0870 . . 532 55 55 LEU HG H 1.9220 . 1 533 55 55 LEU HD1 H 1.0790 . . 534 55 55 LEU HD2 H 0.8850 . . 535 55 55 LEU CA C 55.2670 . 1 536 55 55 LEU CB C 46.3770 . 1 537 55 55 LEU CG C 26.8100 . 1 538 55 55 LEU CD1 C 28.2600 . . 539 55 55 LEU CD2 C 23.7760 . . 540 55 55 LEU N N 120.2150 . 1 541 56 56 ASP H H 8.0780 . 1 542 56 56 ASP HA H 4.3920 . 1 543 56 56 ASP HB2 H 2.9920 . . 544 56 56 ASP HB3 H 2.8370 . . 545 56 56 ASP CA C 53.6660 . 1 546 56 56 ASP CB C 42.3150 . 1 547 56 56 ASP N N 120.8310 . 1 548 57 57 LYS H H 7.9580 . 1 549 57 57 LYS HA H 3.3650 . 1 550 57 57 LYS HB2 H 1.5160 . . 551 57 57 LYS HG2 H 0.8320 . . 552 57 57 LYS HD2 H 1.0190 . . 553 57 57 LYS HE2 H 2.8980 . . 554 57 57 LYS HE3 H 2.8000 . . 555 57 57 LYS CA C 58.6520 . 1 556 57 57 LYS CB C 31.3180 . 1 557 57 57 LYS CG C 23.2110 . 1 558 57 57 LYS CD C 29.4900 . 1 559 57 57 LYS CE C 42.4450 . 1 560 57 57 LYS N N 115.2030 . 1 561 58 58 ASP H H 8.3360 . 1 562 58 58 ASP HA H 4.9570 . 1 563 58 58 ASP HB2 H 2.7220 . . 564 58 58 ASP HB3 H 2.3910 . . 565 58 58 ASP CA C 54.2830 . 1 566 58 58 ASP CB C 43.0590 . 1 567 58 58 ASP N N 118.0740 . 1 568 59 59 ASN H H 7.8500 . 1 569 59 59 ASN HA H 4.9600 . 1 570 59 59 ASN HB2 H 2.6550 . . 571 59 59 ASN HB3 H 2.5700 . . 572 59 59 ASN HD21 H 8.0710 . . 573 59 59 ASN HD22 H 6.6020 . . 574 59 59 ASN CA C 52.7290 . 1 575 59 59 ASN CB C 38.8770 . 1 576 59 59 ASN N N 119.8350 . 1 577 59 59 ASN ND2 N 113.4700 . 1 578 60 60 LEU H H 8.9950 . 1 579 60 60 LEU HA H 4.5600 . 1 580 60 60 LEU HB2 H 1.8170 . . 581 60 60 LEU HB3 H 1.6040 . . 582 60 60 LEU HG H 1.6750 . 1 583 60 60 LEU HD1 H 0.9910 . . 584 60 60 LEU HD2 H 0.8700 . . 585 60 60 LEU CA C 54.2480 . 1 586 60 60 LEU CB C 42.1900 . 1 587 60 60 LEU CD1 C 26.3820 . . 588 60 60 LEU CD2 C 24.0590 . . 589 60 60 LEU N N 125.5410 . 1 590 61 61 SER H H 7.8800 . 1 591 61 61 SER HA H 4.1590 . 1 592 61 61 SER HB2 H 3.9830 . . 593 61 61 SER CA C 62.0020 . 1 594 61 61 SER CB C 62.9870 . 1 595 61 61 SER N N 114.3440 . 1 596 62 62 TYR H H 8.7650 . 1 597 62 62 TYR HA H 4.2990 . 1 598 62 62 TYR HB2 H 3.1090 . . 599 62 62 TYR HB3 H 3.0540 . . 600 62 62 TYR HD1 H 6.8410 . . 601 62 62 TYR HD2 H 6.8410 . . 602 62 62 TYR HE1 H 6.8290 . . 603 62 62 TYR HE2 H 6.8290 . . 604 62 62 TYR CA C 62.2050 . 1 605 62 62 TYR CB C 38.9250 . 1 606 62 62 TYR CD1 C 132.7300 . . 607 62 62 TYR CD2 C 132.7300 . . 608 62 62 TYR CE1 C 118.9170 . . 609 62 62 TYR CE2 C 118.9170 . . 610 62 62 TYR N N 125.0870 . 1 611 63 63 ILE H H 7.6310 . 1 612 63 63 ILE HA H 3.6420 . 1 613 63 63 ILE HB H 1.3290 . 1 614 63 63 ILE HG2 H 0.8080 . . 615 63 63 ILE HD1 H 0.8030 . . 616 63 63 ILE CA C 65.1180 . 1 617 63 63 ILE CB C 37.3830 . 1 618 63 63 ILE CG2 C 19.8830 . 1 619 63 63 ILE CD1 C 14.5550 . 1 620 63 63 ILE N N 111.3380 . 1 621 64 64 GLU H H 7.9870 . 1 622 64 64 GLU HA H 3.7250 . 1 623 64 64 GLU HB2 H 2.0180 . . 624 64 64 GLU HG2 H 2.4550 . . 625 64 64 GLU CA C 60.8950 . 1 626 64 64 GLU CB C 30.2380 . 1 627 64 64 GLU CG C 37.8640 . 1 628 64 64 GLU N N 121.0490 . 1 629 65 65 HIS H H 7.5130 . 1 630 65 65 HIS HA H 4.4380 . 1 631 65 65 HIS HB2 H 3.3470 . . 632 65 65 HIS HB3 H 3.1770 . . 633 65 65 HIS HD2 H 6.7670 . 1 634 65 65 HIS HE1 H 8.1040 . 1 635 65 65 HIS CA C 59.0220 . 1 636 65 65 HIS CB C 28.5870 . 1 637 65 65 HIS CD2 C 120.4730 . 1 638 65 65 HIS CE1 C 137.7890 . 1 639 65 65 HIS N N 117.6570 . 1 640 66 66 ILE H H 7.9240 . 1 641 66 66 ILE HA H 3.4270 . 1 642 66 66 ILE HB H 1.8710 . 1 643 66 66 ILE HG12 H 1.3670 . . 644 66 66 ILE HG13 H 1.1620 . . 645 66 66 ILE HG2 H 0.9240 . . 646 66 66 ILE HD1 H 0.5160 . . 647 66 66 ILE CA C 61.7380 . 1 648 66 66 ILE CB C 35.0860 . 1 649 66 66 ILE CG1 C 26.7950 . 1 650 66 66 ILE CG2 C 18.8310 . 1 651 66 66 ILE CD1 C 9.5100 . 1 652 66 66 ILE N N 118.2810 . 1 653 67 67 PHE H H 8.7370 . 1 654 67 67 PHE HA H 4.4660 . 1 655 67 67 PHE HB2 H 3.4100 . . 656 67 67 PHE HB3 H 3.1700 . . 657 67 67 PHE HD1 H 6.8380 . . 658 67 67 PHE HD2 H 6.8380 . . 659 67 67 PHE HE1 H 7.2960 . . 660 67 67 PHE HE2 H 7.2960 . . 661 67 67 PHE HZ H 7.4020 . 1 662 67 67 PHE CA C 57.6820 . 1 663 67 67 PHE CB C 36.6780 . 1 664 67 67 PHE CD1 C 130.1170 . . 665 67 67 PHE CD2 C 130.1170 . . 666 67 67 PHE CE1 C 131.5750 . . 667 67 67 PHE CE2 C 131.5750 . . 668 67 67 PHE CZ C 127.6700 . 1 669 67 67 PHE N N 121.0840 . 1 670 68 68 GLU H H 8.2280 . 1 671 68 68 GLU HA H 4.0860 . 1 672 68 68 GLU HB2 H 2.2890 . . 673 68 68 GLU HB3 H 2.2340 . . 674 68 68 GLU HG2 H 2.1130 . . 675 68 68 GLU CA C 60.1000 . 1 676 68 68 GLU CB C 29.7350 . 1 677 68 68 GLU CG C 36.3220 . 1 678 68 68 GLU N N 120.7390 . 1 679 69 69 ILE H H 8.3930 . 1 680 69 69 ILE HA H 4.0400 . 1 681 69 69 ILE HB H 1.8980 . 1 682 69 69 ILE HG12 H 1.2340 . . 683 69 69 ILE HG2 H 0.7900 . . 684 69 69 ILE HD1 H 0.6920 . . 685 69 69 ILE CA C 64.2310 . 1 686 69 69 ILE CB C 37.6270 . 1 687 69 69 ILE CG1 C 26.7300 . 1 688 69 69 ILE CG2 C 17.7490 . 1 689 69 69 ILE CD1 C 13.7210 . 1 690 69 69 ILE N N 117.5350 . 1 691 70 70 SER H H 7.8570 . 1 692 70 70 SER HA H 4.4190 . 1 693 70 70 SER HB2 H 3.8150 . . 694 70 70 SER HB3 H 3.7540 . . 695 70 70 SER CA C 58.5020 . 1 696 70 70 SER CB C 63.0290 . 1 697 70 70 SER N N 115.0580 . 1 698 71 71 ARG H H 7.7530 . 1 699 71 71 ARG HA H 3.9020 . 1 700 71 71 ARG HB2 H 2.1250 . . 701 71 71 ARG HB3 H 1.7990 . . 702 71 71 ARG HG2 H 1.5290 . . 703 71 71 ARG HD2 H 3.2010 . . 704 71 71 ARG CA C 56.4520 . 1 705 71 71 ARG CB C 26.3500 . 1 706 71 71 ARG CG C 27.0290 . 1 707 71 71 ARG CD C 43.5930 . 1 708 71 71 ARG N N 115.6210 . 1 709 72 72 ARG H H 8.0060 . 1 710 72 72 ARG HA H 5.0740 . 1 711 72 72 ARG HB2 H 1.5690 . . 712 72 72 ARG HB3 H 1.6250 . . 713 72 72 ARG HG2 H 1.3540 . . 714 72 72 ARG HG3 H 1.4130 . . 715 72 72 ARG HD2 H 3.3030 . . 716 72 72 ARG HD3 H 3.4020 . . 717 72 72 ARG HE H 9.0000 . 1 718 72 72 ARG CA C 49.6130 . 1 719 72 72 ARG CB C 28.5620 . 1 720 72 72 ARG N N 115.2260 . 1 721 72 72 ARG NE N 110.7040 . 1 722 73 73 PRO HA H 4.3370 . 1 723 73 73 PRO HB2 H 2.2810 . . 724 73 73 PRO HB3 H 2.0540 . . 725 73 73 PRO HG2 H 1.9250 . . 726 73 73 PRO HG3 H 1.8660 . . 727 73 73 PRO HD2 H 3.8520 . . 728 73 73 PRO HD3 H 3.6390 . . 729 73 73 PRO CA C 64.6980 . 1 730 73 73 PRO CB C 31.3290 . 1 731 73 73 PRO CG C 26.9330 . 1 732 73 73 PRO CD C 51.3170 . 1 733 74 74 ASP H H 9.1520 . 1 734 74 74 ASP HA H 4.1800 . 1 735 74 74 ASP HB2 H 2.7720 . . 736 74 74 ASP HB3 H 2.4200 . . 737 74 74 ASP CA C 55.9900 . 1 738 74 74 ASP CB C 38.0350 . 1 739 74 74 ASP N N 118.6000 . 1 740 75 75 LEU H H 7.0440 . 1 741 75 75 LEU HA H 3.9070 . 1 742 75 75 LEU HB2 H 1.3300 . . 743 75 75 LEU HG H 0.5360 . 1 744 75 75 LEU HD1 H 0.2390 . . 745 75 75 LEU HD2 H 0.0910 . . 746 75 75 LEU CA C 56.3620 . 1 747 75 75 LEU CB C 38.6390 . 1 748 75 75 LEU CG C 21.7930 . 1 749 75 75 LEU CD1 C 25.8370 . . 750 75 75 LEU N N 120.7620 . 1 751 76 76 LEU H H 7.8500 . 1 752 76 76 LEU HA H 4.1180 . 1 753 76 76 LEU HB2 H 1.9660 . . 754 76 76 LEU HB3 H 1.5410 . . 755 76 76 LEU HG H 1.7080 . 1 756 76 76 LEU HD1 H 1.1090 . . 757 76 76 LEU HD2 H 1.0390 . . 758 76 76 LEU CA C 58.8530 . 1 759 76 76 LEU CB C 42.6060 . 1 760 76 76 LEU CG C 27.2100 . 1 761 76 76 LEU CD1 C 25.9040 . . 762 76 76 LEU CD2 C 24.5420 . . 763 76 76 LEU N N 118.9170 . 1 764 77 77 THR H H 8.2870 . 1 765 77 77 THR HA H 3.8300 . 1 766 77 77 THR HB H 4.1610 . 1 767 77 77 THR HG2 H 1.2120 . . 768 77 77 THR CA C 66.8820 . 1 769 77 77 THR CB C 68.9910 . 1 770 77 77 THR CG2 C 21.4930 . 1 771 77 77 THR N N 114.5740 . 1 772 78 78 MET H H 7.0320 . 1 773 78 78 MET HA H 4.1550 . 1 774 78 78 MET HB2 H 2.7860 . . 775 78 78 MET HG2 H 2.5820 . . 776 78 78 MET CA C 59.8380 . 1 777 78 78 MET CB C 32.6970 . 1 778 78 78 MET CG C 33.1020 . 1 779 78 78 MET N N 118.8730 . 1 780 79 79 VAL H H 7.6330 . 1 781 79 79 VAL HA H 3.7210 . 1 782 79 79 VAL HB H 2.5500 . 1 783 79 79 VAL HG1 H 1.3150 . . 784 79 79 VAL HG2 H 1.1510 . . 785 79 79 VAL CA C 66.9810 . 1 786 79 79 VAL CB C 32.0320 . 1 787 79 79 VAL CG1 C 24.0680 . . 788 79 79 VAL CG2 C 23.6700 . . 789 79 79 VAL N N 120.0460 . 1 790 80 80 VAL H H 8.6010 . 1 791 80 80 VAL HA H 3.5410 . 1 792 80 80 VAL HB H 2.1060 . 1 793 80 80 VAL HG1 H 1.0330 . . 794 80 80 VAL HG2 H 0.9270 . . 795 80 80 VAL CA C 67.1050 . 1 796 80 80 VAL CB C 31.8470 . 1 797 80 80 VAL CG1 C 22.8690 . . 798 80 80 VAL CG2 C 21.4060 . . 799 80 80 VAL N N 121.5100 . 1 800 81 81 ASP H H 8.6770 . 1 801 81 81 ASP HA H 4.3530 . 1 802 81 81 ASP HB2 H 2.8040 . . 803 81 81 ASP HB3 H 2.6100 . . 804 81 81 ASP CA C 57.6760 . 1 805 81 81 ASP CB C 40.5710 . 1 806 81 81 ASP N N 121.7600 . 1 807 82 82 TYR H H 7.6080 . 1 808 82 82 TYR HA H 4.1870 . 1 809 82 82 TYR HB2 H 3.4100 . . 810 82 82 TYR HB3 H 3.1770 . . 811 82 82 TYR HD1 H 7.0010 . . 812 82 82 TYR HD2 H 7.0010 . . 813 82 82 TYR HE1 H 6.7520 . . 814 82 82 TYR HE2 H 6.7520 . . 815 82 82 TYR CA C 61.5030 . 1 816 82 82 TYR CB C 38.6230 . 1 817 82 82 TYR CD1 C 133.8250 . . 818 82 82 TYR CD2 C 133.8250 . . 819 82 82 TYR CE1 C 117.7200 . . 820 82 82 TYR CE2 C 117.7200 . . 821 82 82 TYR N N 121.0250 . 1 822 83 83 ARG H H 8.5960 . 1 823 83 83 ARG HA H 3.6710 . 1 824 83 83 ARG HB2 H 1.9540 . . 825 83 83 ARG HB3 H 1.9080 . . 826 83 83 ARG HG2 H 1.7070 . . 827 83 83 ARG HD2 H 3.2070 . . 828 83 83 ARG HD3 H 3.1510 . . 829 83 83 ARG HE H 8.3470 . 1 830 83 83 ARG CA C 59.8770 . 1 831 83 83 ARG CB C 30.3780 . 1 832 83 83 ARG CG C 28.3830 . 1 833 83 83 ARG CD C 44.1160 . 1 834 83 83 ARG N N 119.3790 . 1 835 83 83 ARG NE N 112.9430 . 1 836 84 84 THR H H 8.3050 . 1 837 84 84 THR HA H 3.9460 . 1 838 84 84 THR HB H 4.2940 . 1 839 84 84 THR HG2 H 1.2100 . . 840 84 84 THR CA C 65.3160 . 1 841 84 84 THR CB C 69.2730 . 1 842 84 84 THR CG2 C 21.6360 . 1 843 84 84 THR N N 113.3300 . 1 844 85 85 ARG H H 7.9490 . 1 845 85 85 ARG HA H 4.0570 . 1 846 85 85 ARG HB2 H 1.7770 . . 847 85 85 ARG HG2 H 1.6930 . . 848 85 85 ARG HD2 H 3.1740 . . 849 85 85 ARG HE H 7.6340 . 1 850 85 85 ARG CA C 58.9050 . 1 851 85 85 ARG CB C 30.8050 . 1 852 85 85 ARG CG C 28.1920 . 1 853 85 85 ARG CD C 43.4590 . 1 854 85 85 ARG N N 121.4570 . 1 855 85 85 ARG NE N 113.2510 . 1 856 86 86 VAL H H 7.9620 . 1 857 86 86 VAL HA H 3.7970 . 1 858 86 86 VAL HB H 1.7300 . 1 859 86 86 VAL HG1 H 0.6810 . . 860 86 86 VAL HG2 H 0.6320 . . 861 86 86 VAL CA C 64.2640 . 1 862 86 86 VAL CB C 31.7070 . 1 863 86 86 VAL CG1 C 21.3040 . . 864 86 86 VAL N N 117.2320 . 1 865 87 87 LEU H H 7.4630 . 1 866 87 87 LEU HA H 4.1580 . 1 867 87 87 LEU HB2 H 1.8070 . . 868 87 87 LEU HB3 H 1.5210 . . 869 87 87 LEU HG H 1.5840 . 1 870 87 87 LEU HD1 H 0.8900 . . 871 87 87 LEU HD2 H 0.8080 . . 872 87 87 LEU CA C 56.0560 . 1 873 87 87 LEU CB C 41.7330 . 1 874 87 87 LEU CG C 26.9090 . 1 875 87 87 LEU CD1 C 25.0300 . . 876 87 87 LEU CD2 C 23.3060 . . 877 87 87 LEU N N 120.8700 . 1 878 88 88 LYS H H 7.6020 . 1 879 88 88 LYS HA H 4.1680 . 1 880 88 88 LYS HB2 H 1.7860 . . 881 88 88 LYS HG2 H 1.3400 . . 882 88 88 LYS HD2 H 1.5720 . . 883 88 88 LYS HE2 H 2.9070 . . 884 88 88 LYS CA C 56.6890 . 1 885 88 88 LYS CB C 32.1220 . 1 886 88 88 LYS CG C 24.7550 . 1 887 88 88 LYS CD C 29.0340 . 1 888 88 88 LYS CE C 42.4000 . 1 889 88 88 LYS N N 118.9250 . 1 890 89 89 ILE H H 7.8820 . 1 891 89 89 ILE HA H 4.0490 . 1 892 89 89 ILE HB H 1.7720 . 1 893 89 89 ILE HG12 H 1.4600 . . 894 89 89 ILE HG13 H 1.0500 . . 895 89 89 ILE HG2 H 0.8150 . . 896 89 89 ILE HD1 H 0.7480 . . 897 89 89 ILE CA C 61.8670 . 1 898 89 89 ILE CB C 38.6600 . 1 899 89 89 ILE CG1 C 27.5810 . 1 900 89 89 ILE CG2 C 17.5170 . 1 901 89 89 ILE CD1 C 13.2510 . 1 902 89 89 ILE N N 120.8450 . 1 903 90 90 SER H H 8.2880 . 1 904 90 90 SER HA H 4.4170 . 1 905 90 90 SER HB2 H 3.8530 . . 906 90 90 SER HB3 H 3.8170 . . 907 90 90 SER CA C 58.5750 . 1 908 90 90 SER CB C 63.8950 . 1 909 90 90 SER N N 119.2100 . 1 910 91 91 GLU H H 8.4230 . 1 911 91 91 GLU HA H 4.2350 . 1 912 91 91 GLU HB2 H 2.0400 . . 913 91 91 GLU HB3 H 1.9560 . . 914 91 91 GLU HG2 H 2.1890 . . 915 91 91 GLU HG3 H 2.2630 . . 916 91 91 GLU CA C 57.2750 . 1 917 91 91 GLU CB C 30.2530 . 1 918 91 91 GLU CG C 36.5190 . 1 919 91 91 GLU N N 122.8410 . 1 920 92 92 GLU H H 8.3040 . 1 921 92 92 GLU HA H 4.1710 . 1 922 92 92 GLU HB2 H 1.9930 . 2 923 92 92 GLU HB3 H 1.9100 . 2 924 92 92 GLU HG2 H 2.2270 . 2 925 92 92 GLU CA C 57.2050 . 1 926 92 92 GLU CB C 30.2560 . 1 927 92 92 GLU CG C 36.5170 . 1 928 92 92 GLU N N 120.3900 . 1 929 93 93 ASP H H 8.2140 . 1 930 93 93 ASP HA H 4.5260 . 1 931 93 93 ASP HB2 H 2.6630 . . 932 93 93 ASP HB3 H 2.6060 . . 933 93 93 ASP CA C 54.8570 . 1 934 93 93 ASP CB C 41.4300 . 1 935 93 93 ASP N N 120.9190 . 1 936 94 94 GLU H H 8.2370 . 1 937 94 94 GLU HA H 4.1860 . 1 938 94 94 GLU HB2 H 1.9750 . . 939 94 94 GLU HG2 H 2.2160 . . 940 94 94 GLU CA C 56.9940 . 1 941 94 94 GLU CB C 30.1940 . 1 942 94 94 GLU CG C 36.3920 . 1 943 94 94 GLU N N 120.9560 . 1 944 95 95 LEU H H 8.1470 . 1 945 95 95 LEU HA H 4.2170 . 1 946 95 95 LEU HB2 H 1.6440 . . 947 95 95 LEU HB3 H 1.5310 . . 948 95 95 LEU HG H 1.5860 . 1 949 95 95 LEU HD1 H 0.8560 . . 950 95 95 LEU HD2 H 0.7980 . . 951 95 95 LEU CA C 55.8100 . 1 952 95 95 LEU CB C 42.2970 . 1 953 95 95 LEU CG C 27.0080 . 1 954 95 95 LEU CD1 C 24.9770 . . 955 95 95 LEU CD2 C 23.5170 . . 956 95 95 LEU N N 121.9660 . 1 957 96 96 ASP H H 8.2490 . 1 958 96 96 ASP HA H 4.5640 . 1 959 96 96 ASP HB2 H 2.7220 . . 960 96 96 ASP HB3 H 2.6240 . . 961 96 96 ASP CA C 54.8450 . 1 962 96 96 ASP CB C 41.1820 . 1 963 96 96 ASP N N 120.4580 . 1 964 97 97 THR H H 8.0230 . 1 965 97 97 THR HA H 4.1890 . 1 966 97 97 THR HB H 4.2120 . 1 967 97 97 THR HG2 H 1.1800 . . 968 97 97 THR CA C 62.7290 . 1 969 97 97 THR CB C 69.2580 . 1 970 97 97 THR CG2 C 21.7930 . 1 971 97 97 THR N N 114.3060 . 1 972 98 98 LYS H H 8.2330 . 1 973 98 98 LYS HA H 4.2010 . 1 974 98 98 LYS HB2 H 1.8090 . . 975 98 98 LYS HG2 H 1.4240 . . 976 98 98 LYS HG3 H 1.3700 . . 977 98 98 LYS HD2 H 1.6240 . . 978 98 98 LYS HE2 H 2.9110 . . 979 98 98 LYS CA C 57.2230 . 1 980 98 98 LYS CB C 32.4760 . 1 981 98 98 LYS CG C 25.0030 . 1 982 98 98 LYS CD C 29.0700 . 1 983 98 98 LYS CE C 41.9810 . 1 984 98 98 LYS N N 122.0470 . 1 985 99 99 LEU H H 7.9980 . 1 986 99 99 LEU HA H 4.2960 . 1 987 99 99 LEU HB2 H 1.6720 . . 988 99 99 LEU HB3 H 1.5490 . . 989 99 99 LEU HG H 1.7330 . 1 990 99 99 LEU HD1 H 0.8730 . . 991 99 99 LEU HD2 H 0.8090 . . 992 99 99 LEU CA C 55.4910 . 1 993 99 99 LEU CB C 41.8550 . 1 994 99 99 LEU CG C 27.0270 . 1 995 99 99 LEU CD1 C 23.3560 . . 996 99 99 LEU CD2 C 25.1280 . . 997 99 99 LEU N N 120.4780 . 1 998 100 100 THR H H 7.9530 . 1 999 100 100 THR HA H 4.2150 . 1 1000 100 100 THR HB H 4.1790 . 1 1001 100 100 THR HG2 H 1.1500 . . 1002 100 100 THR CA C 62.0700 . 1 1003 100 100 THR CB C 69.4850 . 1 1004 100 100 THR CG2 C 21.7010 . 1 1005 100 100 THR N N 113.8250 . 1 1006 101 101 ARG H H 8.1940 . 1 1007 101 101 ARG HA H 4.3110 . 1 1008 101 101 ARG HB2 H 1.7620 . . 1009 101 101 ARG HG2 H 1.5300 . . 1010 101 101 ARG HD2 H 3.1100 . . 1011 101 101 ARG CA C 55.9390 . 1 1012 101 101 ARG CB C 30.8220 . 1 1013 101 101 ARG CG C 27.1820 . 1 1014 101 101 ARG CD C 43.4210 . 1 1015 101 101 ARG N N 123.2450 . 1 1016 102 102 ILE H H 8.1230 . 1 1017 102 102 ILE HA H 4.3970 . 1 1018 102 102 ILE HB H 1.8230 . 1 1019 102 102 ILE HG12 H 1.4500 . . 1020 102 102 ILE HG13 H 1.1220 . . 1021 102 102 ILE HG2 H 0.8900 . . 1022 102 102 ILE HD1 H 0.7890 . . 1023 102 102 ILE CA C 58.7040 . 1 1024 102 102 ILE CB C 38.4860 . 1 1025 102 102 ILE CG1 C 27.0000 . 1 1026 102 102 ILE CG2 C 17.1300 . 1 1027 102 102 ILE CD1 C 12.7300 . 1 1028 102 102 ILE N N 123.4010 . 1 1029 103 103 PRO HA H 4.3560 . 1 1030 103 103 PRO HB2 H 2.2560 . . 1031 103 103 PRO HB3 H 1.8600 . . 1032 103 103 PRO HG2 H 1.9420 . . 1033 103 103 PRO HD2 H 3.8330 . . 1034 103 103 PRO HD3 H 3.6470 . . 1035 103 103 PRO CA C 63.4430 . 1 1036 103 103 PRO CB C 32.1270 . 1 1037 103 103 PRO CG C 27.5390 . 1 1038 103 103 PRO CD C 51.1340 . 1 1039 104 104 SER H H 8.3230 . 1 1040 104 104 SER HA H 4.3580 . 1 1041 104 104 SER HB2 H 3.7340 . . 1042 104 104 SER CA C 58.3240 . 1 1043 104 104 SER CB C 63.7400 . 1 1044 104 104 SER N N 115.9790 . 1 1045 105 105 ALA HA H 4.2610 . 1 1046 105 105 ALA HB H 1.3450 . . 1047 105 105 ALA CA C 52.6630 . 1 1048 105 105 ALA CB C 19.2470 . 1 1049 106 106 LYS H H 8.1520 . 1 1050 106 106 LYS HA H 4.1600 . 1 1051 106 106 LYS HB2 H 1.6500 . . 1052 106 106 LYS HG2 H 1.3120 . . 1053 106 106 LYS HD2 H 1.6670 . . 1054 106 106 LYS HE2 H 2.9190 . . 1055 106 106 LYS CA C 56.4270 . 1 1056 106 106 LYS CB C 33.0660 . 1 1057 106 106 LYS CG C 25.0060 . 1 1058 106 106 LYS CD C 29.1950 . 1 1059 106 106 LYS CE C 42.1970 . 1 1060 106 106 LYS N N 120.2920 . 1 1061 107 107 LYS H H 8.1760 . 1 1062 107 107 LYS HA H 4.1670 . 1 1063 107 107 LYS HB2 H 1.6160 . . 1064 107 107 LYS HG2 H 1.2340 . . 1065 107 107 LYS HE2 H 2.8960 . . 1066 107 107 LYS CA C 56.1970 . 1 1067 107 107 LYS CB C 33.1180 . 1 1068 107 107 LYS CG C 24.8110 . 1 1069 107 107 LYS CD C 29.1140 . 1 1070 107 107 LYS CE C 42.2070 . 1 1071 107 107 LYS N N 122.2180 . 1 1072 108 108 TYR H H 8.1390 . 1 1073 108 108 TYR HA H 4.4720 . 1 1074 108 108 TYR HB2 H 3.0000 . . 1075 108 108 TYR HB3 H 2.8730 . . 1076 108 108 TYR HD1 H 7.0450 . . 1077 108 108 TYR HD2 H 7.0450 . . 1078 108 108 TYR HE1 H 6.7520 . . 1079 108 108 TYR HE2 H 6.7520 . . 1080 108 108 TYR CA C 57.8000 . 1 1081 108 108 TYR CB C 38.9090 . 1 1082 108 108 TYR CD1 C 133.2580 . . 1083 108 108 TYR CD2 C 133.2580 . . 1084 108 108 TYR CE1 C 118.1210 . . 1085 108 108 TYR CE2 C 118.1210 . . 1086 108 108 TYR N N 121.1410 . 1 1087 109 109 LYS H H 8.1170 . 1 1088 109 109 LYS HA H 4.1790 . 1 1089 109 109 LYS HB2 H 1.6820 . . 1090 109 109 LYS HG2 H 1.2980 . . 1091 109 109 LYS HD2 H 1.6960 . . 1092 109 109 LYS HE2 H 2.9300 . . 1093 109 109 LYS CA C 56.3260 . 1 1094 109 109 LYS CB C 33.2160 . 1 1095 109 109 LYS CG C 24.6970 . 1 1096 109 109 LYS CD C 29.2250 . 1 1097 109 109 LYS CE C 42.2180 . 1 1098 109 109 LYS N N 122.0420 . 1 1099 110 110 ASP H H 8.1710 . 1 1100 110 110 ASP HA H 4.5340 . 1 1101 110 110 ASP HB2 H 2.6450 . . 1102 110 110 ASP HB3 H 2.5210 . . 1103 110 110 ASP CA C 54.5000 . 1 1104 110 110 ASP CB C 41.3930 . 1 1105 110 110 ASP N N 121.1550 . 1 1106 111 111 ILE H H 7.9870 . 1 1107 111 111 ILE HA H 4.0840 . 1 1108 111 111 ILE HB H 1.8010 . 1 1109 111 111 ILE HG12 H 1.3940 . . 1110 111 111 ILE HG13 H 1.0950 . . 1111 111 111 ILE HG2 H 0.8080 . . 1112 111 111 ILE HD1 H 0.7750 . . 1113 111 111 ILE CA C 61.1530 . 1 1114 111 111 ILE CB C 38.8200 . 1 1115 111 111 ILE CG1 C 27.3780 . 1 1116 111 111 ILE CG2 C 17.5630 . 1 1117 111 111 ILE CD1 C 13.1300 . 1 1118 111 111 ILE N N 120.5370 . 1 1119 112 112 ILE H H 8.1340 . 1 1120 112 112 ILE HA H 4.0780 . 1 1121 112 112 ILE HB H 1.7860 . 1 1122 112 112 ILE HG12 H 1.4110 . . 1123 112 112 ILE HG13 H 1.1470 . . 1124 112 112 ILE HG2 H 0.8330 . . 1125 112 112 ILE HD1 H 0.8020 . . 1126 112 112 ILE CA C 60.9630 . 1 1127 112 112 ILE CB C 38.4720 . 1 1128 112 112 ILE CG1 C 27.3680 . 1 1129 112 112 ILE CG2 C 17.5150 . 1 1130 112 112 ILE CD1 C 12.5950 . 1 1131 112 112 ILE N N 125.0230 . 1 1132 113 113 ARG H H 8.3220 . 1 1133 113 113 ARG HA H 4.3020 . 1 1134 113 113 ARG HB2 H 1.7060 . . 1135 113 113 ARG HG2 H 1.5340 . . 1136 113 113 ARG HD2 H 3.1090 . . 1137 113 113 ARG CA C 55.6740 . 1 1138 113 113 ARG CB C 31.0520 . 1 1139 113 113 ARG CG C 27.2260 . 1 1140 113 113 ARG CD C 43.3550 . 1 1141 113 113 ARG N N 125.8770 . 1 1142 114 114 GLN H H 8.4980 . 1 1143 114 114 GLN HA H 4.5540 . 1 1144 114 114 GLN HB2 H 2.0690 . . 1145 114 114 GLN HB3 H 1.8730 . . 1146 114 114 GLN HG2 H 2.3450 . . 1147 114 114 GLN HE21 H 7.5370 . . 1148 114 114 GLN HE22 H 6.8390 . . 1149 114 114 GLN CA C 53.5620 . 1 1150 114 114 GLN CB C 28.8130 . 1 1151 114 114 GLN CG C 33.4000 . 1 1152 114 114 GLN N N 123.5620 . 1 1153 114 114 GLN NE2 N 112.7110 . 1 1154 115 115 PRO HA H 4.3940 . 1 1155 115 115 PRO HB2 H 2.2540 . . 1156 115 115 PRO HB3 H 1.8840 . . 1157 115 115 PRO HG2 H 1.9330 . . 1158 115 115 PRO HD2 H 3.7750 . . 1159 115 115 PRO HD3 H 3.6690 . . 1160 115 115 PRO CA C 63.4230 . 1 1161 115 115 PRO CB C 32.1110 . 1 1162 115 115 PRO CG C 27.4700 . 1 1163 115 115 PRO CD C 50.7860 . 1 1164 116 116 SER H H 8.4240 . 1 1165 116 116 SER HA H 4.3910 . 1 1166 116 116 SER HB2 H 3.9770 . . 1167 116 116 SER HB3 H 3.8560 . . 1168 116 116 SER CA C 58.2240 . 1 1169 116 116 SER CB C 64.0690 . 1 1170 116 116 SER N N 116.1140 . 1 1171 117 117 GLU H H 8.5300 . 1 1172 117 117 GLU HA H 4.1590 . 1 1173 117 117 GLU HB2 H 2.0300 . . 1174 117 117 GLU HB3 H 1.9490 . . 1175 117 117 GLU HG2 H 2.2400 . . 1176 117 117 GLU CA C 57.7240 . 1 1177 117 117 GLU CB C 30.0830 . 1 1178 117 117 GLU CG C 36.5650 . 1 1179 117 117 GLU N N 122.4170 . 1 1180 118 118 GLU H H 8.3120 . 1 1181 118 118 GLU HA H 4.1360 . 1 1182 118 118 GLU HB2 H 1.9380 . . 1183 118 118 GLU HG2 H 2.2150 . . 1184 118 118 GLU CA C 57.4650 . 1 1185 118 118 GLU CB C 30.1410 . 1 1186 118 118 GLU CG C 36.4860 . 1 1187 118 118 GLU N N 119.8700 . 1 1188 119 119 GLU H H 8.1020 . 1 1189 119 119 GLU HA H 4.1350 . 1 1190 119 119 GLU HB2 H 1.9740 . . 1191 119 119 GLU HB3 H 1.9030 . . 1192 119 119 GLU HG2 H 2.2030 . . 1193 119 119 GLU CA C 57.2130 . 1 1194 119 119 GLU CB C 30.2890 . 1 1195 119 119 GLU CG C 36.6520 . 1 1196 119 119 GLU N N 121.1220 . 1 1197 120 120 ILE H H 7.9930 . 1 1198 120 120 ILE HA H 3.9720 . 1 1199 120 120 ILE HB H 1.8350 . 1 1200 120 120 ILE HG12 H 1.4620 . . 1201 120 120 ILE HG13 H 1.1370 . . 1202 120 120 ILE HG2 H 0.8330 . . 1203 120 120 ILE HD1 H 0.7880 . . 1204 120 120 ILE CA C 61.9770 . 1 1205 120 120 ILE CB C 38.4450 . 1 1206 120 120 ILE CG1 C 27.7200 . 1 1207 120 120 ILE CG2 C 17.5580 . 1 1208 120 120 ILE CD1 C 12.8150 . 1 1209 120 120 ILE N N 121.6450 . 1 1210 121 121 ILE H H 8.0270 . 1 1211 121 121 ILE HA H 4.0090 . 1 1212 121 121 ILE HB H 1.8190 . 1 1213 121 121 ILE HG12 H 1.4510 . . 1214 121 121 ILE HG13 H 1.1860 . . 1215 121 121 ILE HG2 H 0.8340 . . 1216 121 121 ILE HD1 H 0.7990 . . 1217 121 121 ILE CA C 61.7430 . 1 1218 121 121 ILE CB C 38.2940 . 1 1219 121 121 ILE CG1 C 27.7560 . 1 1220 121 121 ILE CG2 C 17.5350 . 1 1221 121 121 ILE CD1 C 12.7790 . 1 1222 121 121 ILE N N 123.7800 . 1 1223 122 122 LYS H H 8.1080 . 1 1224 122 122 LYS HA H 4.2350 . 1 1225 122 122 LYS HB2 H 1.7450 . . 1226 122 122 LYS HG2 H 1.3900 . . 1227 122 122 LYS HD2 H 1.6590 . . 1228 122 122 LYS HE2 H 2.9210 . . 1229 122 122 LYS CA C 56.3890 . 1 1230 122 122 LYS CB C 32.9990 . 1 1231 122 122 LYS CG C 24.9810 . 1 1232 122 122 LYS CD C 29.1880 . 1 1233 122 122 LYS CE C 42.1830 . 1 1234 122 122 LYS N N 124.4800 . 1 1235 123 123 LEU H H 8.0200 . 1 1236 123 123 LEU HA H 4.2780 . 1 1237 123 123 LEU HB2 H 1.5570 . . 1238 123 123 LEU HG H 1.5160 . 1 1239 123 123 LEU HD1 H 0.8620 . . 1240 123 123 LEU HD2 H 0.8040 . . 1241 123 123 LEU CA C 54.7950 . 1 1242 123 123 LEU CB C 42.5340 . 1 1243 123 123 LEU CG C 26.9600 . 1 1244 123 123 LEU CD1 C 23.3320 . . 1245 123 123 LEU CD2 C 25.0350 . . 1246 123 123 LEU N N 122.8530 . 1 1247 124 124 ALA H H 8.1160 . 1 1248 124 124 ALA HA H 4.5320 . 1 1249 124 124 ALA HB H 1.2870 . . 1250 124 124 ALA CA C 50.3450 . 1 1251 124 124 ALA CB C 18.2160 . 1 1252 124 124 ALA N N 126.2480 . 1 1253 125 125 PRO HA H 4.6510 . 1 1254 125 125 PRO HB2 H 2.2540 . . 1255 125 125 PRO HB3 H 1.8290 . . 1256 125 125 PRO HG2 H 1.9700 . . 1257 125 125 PRO HD2 H 3.7510 . . 1258 125 125 PRO HD3 H 3.5760 . . 1259 125 125 PRO CA C 61.3600 . 1 1260 125 125 PRO CB C 33.3100 . 1 1261 125 125 PRO CG C 27.4000 . 1 1262 125 125 PRO CD C 50.4200 . 1 1263 126 126 PRO HA H 4.6530 . 1 1264 126 126 PRO HB2 H 2.3020 . . 1265 126 126 PRO HB3 H 1.8400 . . 1266 126 126 PRO HG2 H 1.9910 . . 1267 126 126 PRO HD2 H 3.8000 . . 1268 126 126 PRO HD3 H 3.5770 . . 1269 126 126 PRO CA C 61.3500 . 1 1270 126 126 PRO CB C 30.8000 . 1 1271 126 126 PRO CG C 27.3910 . 1 1272 126 126 PRO CD C 50.5100 . 1 1273 127 127 PRO HA H 4.3560 . 1 1274 127 127 PRO HB2 H 2.2370 . . 1275 127 127 PRO HB3 H 1.8170 . . 1276 127 127 PRO HG2 H 1.9660 . . 1277 127 127 PRO HD2 H 3.7700 . . 1278 127 127 PRO HD3 H 3.5900 . . 1279 127 127 PRO CA C 62.7360 . 1 1280 127 127 PRO CB C 32.0970 . 1 1281 127 127 PRO CG C 27.3540 . 1 1282 127 127 PRO CD C 50.5240 . 1 1283 128 128 LYS H H 8.3220 . 1 1284 128 128 LYS HA H 4.2160 . 1 1285 128 128 LYS HB2 H 1.7210 . . 1286 128 128 LYS HG2 H 1.3870 . . 1287 128 128 LYS HD2 H 1.6310 . . 1288 128 128 LYS HE2 H 2.9480 . . 1289 128 128 LYS CA C 56.1600 . 1 1290 128 128 LYS CB C 33.2870 . 1 1291 128 128 LYS CG C 24.7770 . 1 1292 128 128 LYS CD C 29.2170 . 1 1293 128 128 LYS CE C 42.1890 . 1 1294 128 128 LYS N N 122.0110 . 1 1295 129 129 LYS H H 8.3710 . 1 1296 129 129 LYS HA H 4.2450 . 1 1297 129 129 LYS HB2 H 1.7470 . . 1298 129 129 LYS HG2 H 1.4060 . . 1299 129 129 LYS HD2 H 1.6680 . . 1300 129 129 LYS HE2 H 2.9500 . . 1301 129 129 LYS CA C 56.2310 . 1 1302 129 129 LYS CB C 33.2850 . 1 1303 129 129 LYS CG C 24.6770 . 1 1304 129 129 LYS CD C 29.1470 . 1 1305 129 129 LYS CE C 42.2080 . 1 1306 129 129 LYS N N 124.4600 . 1 1307 130 130 ALA H H 8.0000 . 1 1308 130 130 ALA HA H 4.0540 . 1 1309 130 130 ALA HB H 1.2720 . . 1310 130 130 ALA CA C 53.7910 . 1 1311 130 130 ALA CB C 20.2250 . 1 1312 130 130 ALA N N 131.8090 . 1 stop_ save_