data_16472 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Solution Structure of SH2 Domain of the Human Tensin Like C1 Domain Containing Phosphatase (TENC1) ; _BMRB_accession_number 16472 _BMRB_flat_file_name bmr16472.str _Entry_type original _Submission_date 2009-08-27 _Accession_date 2009-08-27 _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 Chen Lihong . . 2 Feng Rui . . 3 Liu Changdong . . 4 Zhu Guang . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 655 "13C chemical shifts" 337 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-03-15 update BMRB 'update entry citation' 2011-05-19 update BMRB 'update entry citation' 2010-08-26 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '1H, 15N and 13C chemical shift assignments of the SH2 domain of human tensin2 (TENC1).' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21461930 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Chen Lihong . . 2 Liu Changdong . . 3 Rui Feng . . 4 Zhu Guang . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume 5 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 211 _Page_last 214 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name TENC1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'SH2 Domain' $entity 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 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SH2 Domain' _Molecular_mass 14402.661 _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 131 _Mol_residue_sequence ; MHHHHHHSSGLVPRGSDTSK FWYKPHLSRDQAIALLKDKD PGAFLIRDSHSFQGAYGLAL KVATPPPSAQPWKGDPVEQL VRHFLIETGPKGVKIKGCPS EPYFGSLSALVSQHSISPIS LPCCLRIPSKD ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 SER 9 SER 10 GLY 11 LEU 12 VAL 13 PRO 14 ARG 15 GLY 16 SER 17 ASP 18 THR 19 SER 20 LYS 21 PHE 22 TRP 23 TYR 24 LYS 25 PRO 26 HIS 27 LEU 28 SER 29 ARG 30 ASP 31 GLN 32 ALA 33 ILE 34 ALA 35 LEU 36 LEU 37 LYS 38 ASP 39 LYS 40 ASP 41 PRO 42 GLY 43 ALA 44 PHE 45 LEU 46 ILE 47 ARG 48 ASP 49 SER 50 HIS 51 SER 52 PHE 53 GLN 54 GLY 55 ALA 56 TYR 57 GLY 58 LEU 59 ALA 60 LEU 61 LYS 62 VAL 63 ALA 64 THR 65 PRO 66 PRO 67 PRO 68 SER 69 ALA 70 GLN 71 PRO 72 TRP 73 LYS 74 GLY 75 ASP 76 PRO 77 VAL 78 GLU 79 GLN 80 LEU 81 VAL 82 ARG 83 HIS 84 PHE 85 LEU 86 ILE 87 GLU 88 THR 89 GLY 90 PRO 91 LYS 92 GLY 93 VAL 94 LYS 95 ILE 96 LYS 97 GLY 98 CYS 99 PRO 100 SER 101 GLU 102 PRO 103 TYR 104 PHE 105 GLY 106 SER 107 LEU 108 SER 109 ALA 110 LEU 111 VAL 112 SER 113 GLN 114 HIS 115 SER 116 ILE 117 SER 118 PRO 119 ILE 120 SER 121 LEU 122 PRO 123 CYS 124 CYS 125 LEU 126 ARG 127 ILE 128 PRO 129 SER 130 LYS 131 ASP stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-13 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 17314 Protein_Domain 87.02 123 100.00 100.00 5.59e-75 PDB 2KNO "Nmr Solution Structure Of Sh2 Domain Of The Human Tensin Like C1 Domain Containing Phosphatase (Tenc1)" 100.00 131 100.00 100.00 1.28e-88 PDB 2L6K "Solution Structure Of A Nonphosphorylated Peptide Recognizing Domain" 87.02 123 100.00 100.00 5.59e-75 DBJ BAA83027 "KIAA1075 protein [Homo sapiens]" 87.79 1505 99.13 99.13 2.37e-67 DBJ BAG09960 "tensin-like C1 domain-containing phosphatase [synthetic construct]" 87.79 1409 99.13 99.13 1.47e-67 EMBL CAB70815 "hypothetical protein [Homo sapiens]" 87.79 649 100.00 100.00 1.09e-71 EMBL CAH56176 "hypothetical protein [Homo sapiens]" 87.79 1398 99.13 99.13 1.53e-67 GB AAH25818 "Tenc1 protein, partial [Mus musculus]" 87.79 655 98.26 99.13 1.17e-70 GB AAH42190 "Tensin like C1 domain-containing phosphatase [Mus musculus]" 87.79 1400 98.26 99.13 3.55e-68 GB AAH54099 "TENC1 protein, partial [Homo sapiens]" 87.79 949 99.13 99.13 5.49e-69 GB AAI10855 "TENC1 protein, partial [Homo sapiens]" 87.79 1291 100.00 100.00 5.47e-69 GB AAI29829 "TENC1 protein [Homo sapiens]" 87.79 1285 100.00 100.00 5.34e-69 REF NP_056134 "tensin-2 isoform 1 [Homo sapiens]" 87.79 1419 100.00 100.00 6.34e-69 REF NP_705761 "tensin-2 [Mus musculus]" 87.79 1400 98.26 99.13 3.55e-68 REF NP_736610 "tensin-2 isoform 2 [Homo sapiens]" 87.79 1409 100.00 100.00 6.26e-69 REF NP_938072 "tensin-2 isoform 3 [Homo sapiens]" 87.79 1285 100.00 100.00 5.34e-69 REF XP_001102202 "PREDICTED: tensin-like C1 domain-containing phosphatase isoform 3 [Macaca mulatta]" 87.79 1398 98.26 99.13 1.45e-67 SP Q63HR2 "RecName: Full=Tensin-2; AltName: Full=C1 domain-containing phosphatase and tensin homolog; Short=C1-TEN; AltName: Full=Tensin-l" 87.79 1409 100.00 100.00 6.26e-69 SP Q8CGB6 "RecName: Full=Tensin-2; AltName: Full=C1 domain-containing phosphatase and tensin homolog; Short=C1-TEN; AltName: Full=Tensin-l" 87.79 1400 98.26 99.13 3.55e-68 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic _Details $entity Human 9606 Eukaryota Metazoa Homo sapiens 'tensin like C1 domain containing phosphatase' 'tensin2, tenc1' 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 'recombinant technology' . Escherichia coli . pET 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 mM '[U-100% 13C]' 'sodium acetate' 100 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-100% 15N]' 'sodium acetate' 100 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM '[U-100% 13C; U-100% 15N]' 'sodium acetate' 100 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1 mM 'natural abundance' 'sodium acetate' 100 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_1H-13C_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_4 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_CBCA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HCCH-COSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 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' 100 . mM pH 5.5 . 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-1H NOESY' '3D HNCACB' '3D HCCH-COSY' '3D HCCH-TOCSY' '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_4 $sample_3 $sample_1 $sample_2 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'SH2 Domain' _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 14 14 ARG HB2 H 1.872 0.020 2 2 14 14 ARG HG3 H 1.696 0.020 2 3 15 15 GLY H H 8.553 0.020 1 4 15 15 GLY HA2 H 4.008 0.020 2 5 15 15 GLY HA3 H 4.008 0.020 2 6 15 15 GLY CA C 45.378 0.400 1 7 15 15 GLY N N 110.573 0.400 1 8 16 16 SER H H 8.224 0.020 1 9 16 16 SER HA H 4.479 0.020 1 10 16 16 SER HB2 H 3.900 0.020 2 11 16 16 SER HB3 H 3.861 0.020 2 12 16 16 SER CA C 58.504 0.400 1 13 16 16 SER CB C 63.835 0.400 1 14 16 16 SER N N 115.437 0.400 1 15 17 17 ASP H H 8.470 0.020 1 16 17 17 ASP HA H 4.764 0.020 1 17 17 17 ASP HB2 H 2.753 0.020 2 18 17 17 ASP HB3 H 2.749 0.020 2 19 17 17 ASP CB C 41.124 0.400 1 20 17 17 ASP N N 122.317 0.400 1 21 18 18 THR H H 8.371 0.020 1 22 18 18 THR HA H 4.306 0.020 1 23 18 18 THR HB H 4.616 0.020 1 24 18 18 THR HG2 H 1.290 0.020 1 25 18 18 THR CA C 61.909 0.400 1 26 18 18 THR CB C 69.588 0.400 1 27 18 18 THR CG2 C 21.884 0.400 1 28 18 18 THR N N 113.838 0.400 1 29 19 19 SER H H 8.054 0.020 1 30 19 19 SER HA H 2.917 0.020 1 31 19 19 SER HB2 H 3.502 0.020 2 32 19 19 SER HB3 H 3.288 0.020 2 33 19 19 SER CA C 59.882 0.400 1 34 19 19 SER CB C 62.810 0.400 1 35 19 19 SER N N 118.326 0.400 1 36 20 20 LYS H H 7.811 0.020 1 37 20 20 LYS HA H 4.016 0.020 1 38 20 20 LYS HB2 H 1.319 0.020 2 39 20 20 LYS HB3 H 1.115 0.020 2 40 20 20 LYS HD2 H 1.425 0.020 2 41 20 20 LYS HD3 H 1.425 0.020 2 42 20 20 LYS HE2 H 2.786 0.020 2 43 20 20 LYS HE3 H 2.786 0.020 2 44 20 20 LYS HG2 H 0.951 0.020 2 45 20 20 LYS HG3 H 0.735 0.020 2 46 20 20 LYS CA C 56.578 0.400 1 47 20 20 LYS CB C 31.418 0.400 1 48 20 20 LYS CD C 28.859 0.400 1 49 20 20 LYS CE C 41.843 0.400 1 50 20 20 LYS CG C 23.783 0.400 1 51 20 20 LYS N N 120.919 0.400 1 52 21 21 PHE H H 7.796 0.020 1 53 21 21 PHE HA H 4.482 0.020 1 54 21 21 PHE HB2 H 3.274 0.020 2 55 21 21 PHE HB3 H 3.069 0.020 2 56 21 21 PHE HD1 H 7.284 0.020 1 57 21 21 PHE HD2 H 7.284 0.020 1 58 21 21 PHE HE1 H 7.365 0.020 1 59 21 21 PHE HE2 H 7.365 0.020 1 60 21 21 PHE CA C 58.825 0.400 1 61 21 21 PHE CB C 39.030 0.400 1 62 21 21 PHE N N 117.442 0.400 1 63 22 22 TRP H H 6.450 0.020 1 64 22 22 TRP HA H 4.673 0.020 1 65 22 22 TRP HB2 H 3.089 0.020 2 66 22 22 TRP HB3 H 2.498 0.020 2 67 22 22 TRP HD1 H 7.014 0.020 1 68 22 22 TRP HE1 H 10.584 0.020 1 69 22 22 TRP HE3 H 7.321 0.020 1 70 22 22 TRP HH2 H 6.599 0.020 1 71 22 22 TRP HZ2 H 7.421 0.020 1 72 22 22 TRP HZ3 H 6.677 0.020 1 73 22 22 TRP CA C 55.333 0.400 1 74 22 22 TRP CB C 31.804 0.400 1 75 22 22 TRP N N 112.788 0.400 1 76 22 22 TRP NE1 N 131.105 0.400 1 77 23 23 TYR H H 7.936 0.020 1 78 23 23 TYR HA H 5.472 0.020 1 79 23 23 TYR HB2 H 2.622 0.020 2 80 23 23 TYR HB3 H 2.382 0.020 2 81 23 23 TYR HD1 H 6.956 0.020 1 82 23 23 TYR HD2 H 6.956 0.020 1 83 23 23 TYR HE1 H 6.772 0.020 1 84 23 23 TYR HE2 H 6.772 0.020 1 85 23 23 TYR CA C 55.361 0.400 1 86 23 23 TYR CB C 36.263 0.400 1 87 23 23 TYR N N 123.900 0.400 1 88 24 24 LYS H H 8.677 0.020 1 89 24 24 LYS HA H 4.699 0.020 1 90 24 24 LYS HB2 H 1.725 0.020 2 91 24 24 LYS HB3 H 1.612 0.020 2 92 24 24 LYS HD2 H 1.717 0.020 2 93 24 24 LYS HD3 H 1.531 0.020 2 94 24 24 LYS HE2 H 2.970 0.020 2 95 24 24 LYS HE3 H 2.860 0.020 2 96 24 24 LYS HG2 H 1.247 0.020 2 97 24 24 LYS HG3 H 1.247 0.020 2 98 24 24 LYS CB C 33.231 0.400 1 99 24 24 LYS CD C 29.154 0.400 1 100 24 24 LYS CE C 42.401 0.400 1 101 24 24 LYS CG C 24.491 0.400 1 102 24 24 LYS N N 128.775 0.400 1 103 25 25 PRO HA H 3.849 0.020 1 104 25 25 PRO HB2 H 2.097 0.020 2 105 25 25 PRO HB3 H 1.312 0.020 2 106 25 25 PRO HD2 H 3.347 0.020 2 107 25 25 PRO HD3 H 1.755 0.020 2 108 25 25 PRO HG2 H 1.375 0.020 2 109 25 25 PRO HG3 H 1.329 0.020 2 110 25 25 PRO CA C 64.305 0.400 1 111 25 25 PRO CB C 32.129 0.400 1 112 25 25 PRO CD C 49.791 0.400 1 113 25 25 PRO CG C 26.491 0.400 1 114 26 26 HIS H H 8.429 0.020 1 115 26 26 HIS HA H 4.823 0.020 1 116 26 26 HIS HB2 H 3.431 0.020 2 117 26 26 HIS HB3 H 3.133 0.020 2 118 26 26 HIS CA C 54.774 0.400 1 119 26 26 HIS CB C 28.672 0.400 1 120 26 26 HIS N N 110.236 0.400 1 121 27 27 LEU H H 7.263 0.020 1 122 27 27 LEU HA H 4.427 0.020 1 123 27 27 LEU HB2 H 1.623 0.020 2 124 27 27 LEU HB3 H 1.623 0.020 2 125 27 27 LEU HD1 H 0.827 0.020 2 126 27 27 LEU HD2 H 0.764 0.020 2 127 27 27 LEU CA C 55.131 0.400 1 128 27 27 LEU CB C 43.427 0.400 1 129 27 27 LEU CD1 C 27.321 0.400 1 130 27 27 LEU CD2 C 23.952 0.400 1 131 27 27 LEU N N 120.889 0.400 1 132 28 28 SER H H 8.912 0.020 1 133 28 28 SER HA H 4.647 0.020 1 134 28 28 SER HB2 H 4.438 0.020 2 135 28 28 SER HB3 H 4.017 0.020 2 136 28 28 SER CA C 56.493 0.400 1 137 28 28 SER CB C 65.637 0.400 1 138 28 28 SER N N 119.619 0.400 1 139 29 29 ARG H H 9.034 0.020 1 140 29 29 ARG HA H 3.696 0.020 1 141 29 29 ARG HB2 H 1.761 0.020 2 142 29 29 ARG HB3 H 1.761 0.020 2 143 29 29 ARG HD2 H 2.923 0.020 2 144 29 29 ARG HD3 H 2.832 0.020 2 145 29 29 ARG HG2 H 1.346 0.020 2 146 29 29 ARG HG3 H 1.235 0.020 2 147 29 29 ARG CA C 60.822 0.400 1 148 29 29 ARG CB C 30.480 0.400 1 149 29 29 ARG CD C 43.053 0.400 1 150 29 29 ARG CG C 27.832 0.400 1 151 29 29 ARG N N 122.579 0.400 1 152 30 30 ASP H H 8.410 0.020 1 153 30 30 ASP HA H 4.406 0.020 1 154 30 30 ASP HB2 H 2.630 0.020 2 155 30 30 ASP HB3 H 2.503 0.020 2 156 30 30 ASP CA C 57.372 0.400 1 157 30 30 ASP CB C 40.267 0.400 1 158 30 30 ASP N N 115.894 0.400 1 159 31 31 GLN H H 7.946 0.020 1 160 31 31 GLN HA H 4.074 0.020 1 161 31 31 GLN HB2 H 2.311 0.020 2 162 31 31 GLN HB3 H 1.942 0.020 2 163 31 31 GLN HG2 H 2.444 0.020 2 164 31 31 GLN HG3 H 2.444 0.020 2 165 31 31 GLN CA C 58.479 0.400 1 166 31 31 GLN CB C 29.284 0.400 1 167 31 31 GLN CG C 34.608 0.400 1 168 31 31 GLN N N 120.632 0.400 1 169 32 32 ALA H H 8.208 0.020 1 170 32 32 ALA HA H 3.970 0.020 1 171 32 32 ALA HB H 1.436 0.020 1 172 32 32 ALA CA C 55.179 0.400 1 173 32 32 ALA CB C 17.592 0.400 1 174 32 32 ALA N N 121.892 0.400 1 175 33 33 ILE H H 7.860 0.020 1 176 33 33 ILE HA H 3.472 0.020 1 177 33 33 ILE HB H 1.948 0.020 1 178 33 33 ILE HD1 H 1.033 0.020 1 179 33 33 ILE HG12 H 2.051 0.020 2 180 33 33 ILE HG13 H 1.095 0.020 2 181 33 33 ILE HG2 H 0.957 0.020 1 182 33 33 ILE CA C 66.256 0.400 1 183 33 33 ILE CB C 38.749 0.400 1 184 33 33 ILE CD1 C 14.973 0.400 1 185 33 33 ILE CG1 C 29.855 0.400 1 186 33 33 ILE CG2 C 17.582 0.400 1 187 33 33 ILE N N 115.900 0.400 1 188 34 34 ALA H H 7.655 0.020 1 189 34 34 ALA HA H 3.970 0.020 1 190 34 34 ALA HB H 1.482 0.020 1 191 34 34 ALA CA C 55.156 0.400 1 192 34 34 ALA CB C 18.069 0.400 1 193 34 34 ALA N N 119.694 0.400 1 194 35 35 LEU H H 7.738 0.020 1 195 35 35 LEU HA H 4.173 0.020 1 196 35 35 LEU HB2 H 1.770 0.020 2 197 35 35 LEU HB3 H 1.481 0.020 2 198 35 35 LEU HD1 H 0.859 0.020 2 199 35 35 LEU HD2 H 0.871 0.020 2 200 35 35 LEU HG H 1.773 0.020 1 201 35 35 LEU CA C 56.855 0.400 1 202 35 35 LEU CB C 42.934 0.400 1 203 35 35 LEU CD1 C 25.691 0.400 1 204 35 35 LEU CD2 C 23.309 0.400 1 205 35 35 LEU CG C 27.407 0.400 1 206 35 35 LEU N N 116.748 0.400 1 207 36 36 LEU H H 7.506 0.020 1 208 36 36 LEU HA H 4.340 0.020 1 209 36 36 LEU HB2 H 1.719 0.020 2 210 36 36 LEU HB3 H 1.244 0.020 2 211 36 36 LEU HD1 H 0.691 0.020 2 212 36 36 LEU HD2 H 0.637 0.020 2 213 36 36 LEU CA C 55.287 0.400 1 214 36 36 LEU CB C 44.362 0.400 1 215 36 36 LEU CD1 C 27.223 0.400 1 216 36 36 LEU CD2 C 22.582 0.400 1 217 36 36 LEU N N 116.670 0.400 1 218 37 37 LYS H H 7.985 0.020 1 219 37 37 LYS HA H 3.713 0.020 1 220 37 37 LYS HB2 H 1.860 0.020 2 221 37 37 LYS HB3 H 1.860 0.020 2 222 37 37 LYS HD2 H 1.682 0.020 2 223 37 37 LYS HD3 H 1.611 0.020 2 224 37 37 LYS HE2 H 3.021 0.020 2 225 37 37 LYS HE3 H 2.989 0.020 2 226 37 37 LYS HG2 H 1.530 0.020 2 227 37 37 LYS HG3 H 1.352 0.020 2 228 37 37 LYS CA C 60.842 0.400 1 229 37 37 LYS CB C 31.792 0.400 1 230 37 37 LYS CD C 29.740 0.400 1 231 37 37 LYS CE C 41.983 0.400 1 232 37 37 LYS CG C 23.735 0.400 1 233 37 37 LYS N N 118.460 0.400 1 234 38 38 ASP H H 8.424 0.020 1 235 38 38 ASP HA H 4.931 0.020 1 236 38 38 ASP HB2 H 2.761 0.020 2 237 38 38 ASP HB3 H 2.703 0.020 2 238 38 38 ASP CA C 53.474 0.400 1 239 38 38 ASP CB C 40.823 0.400 1 240 38 38 ASP N N 117.481 0.400 1 241 39 39 LYS H H 7.413 0.020 1 242 39 39 LYS HA H 4.464 0.020 1 243 39 39 LYS HB2 H 1.962 0.020 2 244 39 39 LYS HB3 H 1.918 0.020 2 245 39 39 LYS HE2 H 3.144 0.020 2 246 39 39 LYS HE3 H 3.003 0.020 2 247 39 39 LYS HG2 H 1.608 0.020 2 248 39 39 LYS HG3 H 1.528 0.020 2 249 39 39 LYS CA C 53.732 0.400 1 250 39 39 LYS CB C 33.216 0.400 1 251 39 39 LYS CE C 42.325 0.400 1 252 39 39 LYS CG C 25.692 0.400 1 253 39 39 LYS N N 118.408 0.400 1 254 40 40 ASP H H 8.360 0.020 1 255 40 40 ASP HA H 4.831 0.020 1 256 40 40 ASP HB2 H 2.674 0.020 2 257 40 40 ASP HB3 H 2.414 0.020 2 258 40 40 ASP CA C 53.341 0.400 1 259 40 40 ASP CB C 39.539 0.400 1 260 40 40 ASP N N 120.244 0.400 1 261 41 41 PRO HA H 3.938 0.020 1 262 41 41 PRO HB2 H 2.128 0.020 2 263 41 41 PRO HB3 H 1.942 0.020 2 264 41 41 PRO CA C 63.827 0.400 1 265 41 41 PRO CB C 31.781 0.400 1 266 42 42 GLY H H 9.289 0.020 1 267 42 42 GLY HA2 H 4.539 0.020 2 268 42 42 GLY HA3 H 3.585 0.020 2 269 42 42 GLY CA C 45.386 0.400 1 270 42 42 GLY N N 114.879 0.400 1 271 43 43 ALA H H 7.933 0.020 1 272 43 43 ALA HA H 4.663 0.020 1 273 43 43 ALA HB H 1.485 0.020 1 274 43 43 ALA CA C 53.086 0.400 1 275 43 43 ALA CB C 20.044 0.400 1 276 43 43 ALA N N 124.550 0.400 1 277 44 44 PHE H H 7.781 0.020 1 278 44 44 PHE HA H 5.893 0.020 1 279 44 44 PHE HB2 H 3.129 0.020 2 280 44 44 PHE HB3 H 2.991 0.020 2 281 44 44 PHE CA C 55.689 0.400 1 282 44 44 PHE CB C 43.464 0.400 1 283 44 44 PHE N N 116.581 0.400 1 284 45 45 LEU H H 8.779 0.020 1 285 45 45 LEU HA H 4.887 0.020 1 286 45 45 LEU HB2 H 1.562 0.020 2 287 45 45 LEU HB3 H 1.562 0.020 2 288 45 45 LEU HD1 H 0.881 0.020 2 289 45 45 LEU HD2 H 0.968 0.020 2 290 45 45 LEU HG H 1.714 0.020 1 291 45 45 LEU CA C 54.155 0.400 1 292 45 45 LEU CB C 48.060 0.400 1 293 45 45 LEU CD1 C 26.748 0.400 1 294 45 45 LEU CD2 C 25.578 0.400 1 295 45 45 LEU CG C 26.661 0.400 1 296 45 45 LEU N N 116.844 0.400 1 297 46 46 ILE H H 9.408 0.020 1 298 46 46 ILE HA H 5.508 0.020 1 299 46 46 ILE HB H 2.107 0.020 1 300 46 46 ILE HD1 H 0.631 0.020 1 301 46 46 ILE HG12 H 1.959 0.020 2 302 46 46 ILE HG13 H 1.147 0.020 2 303 46 46 ILE HG2 H 1.080 0.020 1 304 46 46 ILE CA C 60.392 0.400 1 305 46 46 ILE CB C 40.270 0.400 1 306 46 46 ILE CD1 C 13.424 0.400 1 307 46 46 ILE CG1 C 29.683 0.400 1 308 46 46 ILE CG2 C 18.744 0.400 1 309 46 46 ILE N N 121.125 0.400 1 310 47 47 ARG H H 9.233 0.020 1 311 47 47 ARG HA H 5.253 0.020 1 312 47 47 ARG HB2 H 2.149 0.020 2 313 47 47 ARG HB3 H 1.524 0.020 2 314 47 47 ARG HD2 H 3.169 0.020 2 315 47 47 ARG HD3 H 2.800 0.020 2 316 47 47 ARG HG2 H 1.416 0.020 2 317 47 47 ARG HG3 H 1.416 0.020 2 318 47 47 ARG CA C 52.602 0.400 1 319 47 47 ARG CB C 34.364 0.400 1 320 47 47 ARG CD C 42.980 0.400 1 321 47 47 ARG CG C 26.350 0.400 1 322 47 47 ARG N N 124.374 0.400 1 323 48 48 ASP H H 8.879 0.020 1 324 48 48 ASP HA H 4.982 0.020 1 325 48 48 ASP HB2 H 2.779 0.020 2 326 48 48 ASP HB3 H 2.559 0.020 2 327 48 48 ASP CA C 55.410 0.400 1 328 48 48 ASP CB C 39.573 0.400 1 329 48 48 ASP N N 123.625 0.400 1 330 49 49 SER H H 7.955 0.020 1 331 49 49 SER HA H 4.462 0.020 1 332 49 49 SER HB2 H 3.549 0.020 2 333 49 49 SER HB3 H 3.549 0.020 2 334 49 49 SER CA C 57.486 0.400 1 335 49 49 SER CB C 63.844 0.400 1 336 49 49 SER N N 115.063 0.400 1 337 50 50 HIS H H 8.897 0.020 1 338 50 50 HIS HA H 4.749 0.020 1 339 50 50 HIS HB2 H 3.418 0.020 2 340 50 50 HIS HB3 H 3.208 0.020 2 341 50 50 HIS HD2 H 7.271 0.020 1 342 50 50 HIS CA C 55.837 0.400 1 343 50 50 HIS CB C 28.276 0.400 1 344 50 50 HIS N N 122.843 0.400 1 345 51 51 SER H H 8.231 0.020 1 346 51 51 SER HA H 4.292 0.020 1 347 51 51 SER HB2 H 3.604 0.020 2 348 51 51 SER HB3 H 3.604 0.020 2 349 51 51 SER CA C 59.303 0.400 1 350 51 51 SER CB C 63.956 0.400 1 351 51 51 SER N N 115.630 0.400 1 352 52 52 PHE H H 7.679 0.020 1 353 52 52 PHE HA H 4.612 0.020 1 354 52 52 PHE HB2 H 3.202 0.020 2 355 52 52 PHE HB3 H 2.969 0.020 2 356 52 52 PHE HD1 H 7.242 0.020 1 357 52 52 PHE HD2 H 7.242 0.020 1 358 52 52 PHE HE1 H 7.375 0.020 1 359 52 52 PHE HE2 H 7.375 0.020 1 360 52 52 PHE CA C 56.988 0.400 1 361 52 52 PHE CB C 39.568 0.400 1 362 52 52 PHE N N 118.364 0.400 1 363 53 53 GLN H H 8.544 0.020 1 364 53 53 GLN HA H 4.138 0.020 1 365 53 53 GLN HB2 H 2.066 0.020 2 366 53 53 GLN HB3 H 2.018 0.020 2 367 53 53 GLN HG2 H 2.322 0.020 2 368 53 53 GLN HG3 H 2.322 0.020 2 369 53 53 GLN CA C 57.238 0.400 1 370 53 53 GLN CB C 28.471 0.400 1 371 53 53 GLN CG C 33.694 0.400 1 372 53 53 GLN N N 120.848 0.400 1 373 54 54 GLY H H 8.545 0.020 1 374 54 54 GLY HA2 H 4.005 0.020 2 375 54 54 GLY HA3 H 3.776 0.020 2 376 54 54 GLY CA C 45.566 0.400 1 377 54 54 GLY N N 112.139 0.400 1 378 55 55 ALA H H 7.617 0.020 1 379 55 55 ALA HA H 4.839 0.020 1 380 55 55 ALA HB H 1.166 0.020 1 381 55 55 ALA CA C 51.605 0.400 1 382 55 55 ALA CB C 21.125 0.400 1 383 55 55 ALA N N 121.375 0.400 1 384 56 56 TYR H H 8.896 0.020 1 385 56 56 TYR HA H 5.327 0.020 1 386 56 56 TYR HB2 H 3.360 0.020 2 387 56 56 TYR HB3 H 2.613 0.020 2 388 56 56 TYR HD1 H 7.056 0.020 1 389 56 56 TYR HD2 H 7.056 0.020 1 390 56 56 TYR HE1 H 6.817 0.020 1 391 56 56 TYR HE2 H 6.817 0.020 1 392 56 56 TYR CA C 56.435 0.400 1 393 56 56 TYR CB C 41.917 0.400 1 394 56 56 TYR N N 116.830 0.400 1 395 57 57 GLY H H 9.425 0.020 1 396 57 57 GLY HA2 H 5.108 0.020 2 397 57 57 GLY HA3 H 3.407 0.020 2 398 57 57 GLY CA C 44.794 0.400 1 399 57 57 GLY N N 108.542 0.400 1 400 58 58 LEU H H 9.014 0.020 1 401 58 58 LEU HA H 5.283 0.020 1 402 58 58 LEU HB2 H 1.826 0.020 2 403 58 58 LEU HB3 H 1.312 0.020 2 404 58 58 LEU HD1 H 0.683 0.020 2 405 58 58 LEU HD2 H 0.515 0.020 2 406 58 58 LEU HG H 1.566 0.020 1 407 58 58 LEU CA C 53.863 0.400 1 408 58 58 LEU CB C 44.440 0.400 1 409 58 58 LEU CD1 C 25.386 0.400 1 410 58 58 LEU CD2 C 25.992 0.400 1 411 58 58 LEU CG C 28.118 0.400 1 412 58 58 LEU N N 127.989 0.400 1 413 59 59 ALA H H 9.110 0.020 1 414 59 59 ALA HA H 5.263 0.020 1 415 59 59 ALA HB H 1.139 0.020 1 416 59 59 ALA CA C 50.020 0.400 1 417 59 59 ALA CB C 21.133 0.400 1 418 59 59 ALA N N 132.001 0.400 1 419 60 60 LEU H H 8.774 0.020 1 420 60 60 LEU HA H 5.145 0.020 1 421 60 60 LEU HB2 H 1.769 0.020 2 422 60 60 LEU HB3 H 1.082 0.020 2 423 60 60 LEU HD1 H 0.754 0.020 2 424 60 60 LEU HD2 H 0.750 0.020 2 425 60 60 LEU HG H 1.375 0.020 1 426 60 60 LEU CA C 52.991 0.400 1 427 60 60 LEU CB C 48.531 0.400 1 428 60 60 LEU CD1 C 24.791 0.400 1 429 60 60 LEU CD2 C 27.697 0.400 1 430 60 60 LEU CG C 27.023 0.400 1 431 60 60 LEU N N 123.589 0.400 1 432 61 61 LYS H H 9.106 0.020 1 433 61 61 LYS HA H 4.992 0.020 1 434 61 61 LYS HB2 H 2.217 0.020 2 435 61 61 LYS HB3 H 1.478 0.020 2 436 61 61 LYS HD2 H 2.058 0.020 2 437 61 61 LYS HD3 H 1.516 0.020 2 438 61 61 LYS HE2 H 3.195 0.020 2 439 61 61 LYS HE3 H 3.031 0.020 2 440 61 61 LYS HG2 H 1.599 0.020 2 441 61 61 LYS HG3 H 1.599 0.020 2 442 61 61 LYS CA C 54.538 0.400 1 443 61 61 LYS CB C 32.772 0.400 1 444 61 61 LYS CD C 27.024 0.400 1 445 61 61 LYS CE C 43.755 0.400 1 446 61 61 LYS CG C 24.840 0.400 1 447 61 61 LYS N N 128.908 0.400 1 448 62 62 VAL H H 8.753 0.020 1 449 62 62 VAL HA H 4.886 0.020 1 450 62 62 VAL HB H 2.427 0.020 1 451 62 62 VAL HG1 H 0.929 0.020 2 452 62 62 VAL HG2 H 0.838 0.020 2 453 62 62 VAL CA C 59.445 0.400 1 454 62 62 VAL CB C 34.259 0.400 1 455 62 62 VAL CG1 C 22.552 0.400 1 456 62 62 VAL CG2 C 18.816 0.400 1 457 62 62 VAL N N 121.177 0.400 1 458 63 63 ALA H H 8.531 0.020 1 459 63 63 ALA HA H 4.401 0.020 1 460 63 63 ALA HB H 1.443 0.020 1 461 63 63 ALA CA C 52.439 0.400 1 462 63 63 ALA CB C 20.190 0.400 1 463 63 63 ALA N N 120.018 0.400 1 464 64 64 THR H H 7.731 0.020 1 465 64 64 THR HA H 4.531 0.020 1 466 64 64 THR HB H 4.084 0.020 1 467 64 64 THR HG2 H 1.247 0.020 1 468 64 64 THR CA C 59.221 0.400 1 469 64 64 THR CB C 70.186 0.400 1 470 64 64 THR CG2 C 21.653 0.400 1 471 64 64 THR N N 112.670 0.400 1 472 65 65 PRO HA H 4.586 0.020 1 473 65 65 PRO HB2 H 2.173 0.020 2 474 65 65 PRO HB3 H 1.863 0.020 2 475 65 65 PRO HD2 H 3.767 0.020 2 476 65 65 PRO HD3 H 3.559 0.020 2 477 65 65 PRO HG2 H 1.961 0.020 2 478 65 65 PRO HG3 H 1.869 0.020 2 479 65 65 PRO CA C 61.382 0.400 1 480 65 65 PRO CB C 30.686 0.400 1 481 65 65 PRO CD C 50.356 0.400 1 482 65 65 PRO CG C 27.211 0.400 1 483 66 66 PRO HA H 4.731 0.020 1 484 66 66 PRO HB2 H 2.345 0.020 2 485 66 66 PRO HB3 H 1.948 0.020 2 486 66 66 PRO HD2 H 3.815 0.020 2 487 66 66 PRO HD3 H 3.680 0.020 2 488 66 66 PRO HG2 H 2.034 0.020 2 489 66 66 PRO HG3 H 2.034 0.020 2 490 66 66 PRO CB C 30.675 0.400 1 491 66 66 PRO CD C 50.439 0.400 1 492 66 66 PRO CG C 27.345 0.400 1 493 67 67 PRO HA H 4.414 0.020 1 494 67 67 PRO HB2 H 2.310 0.020 2 495 67 67 PRO HB3 H 1.933 0.020 2 496 67 67 PRO HD2 H 3.817 0.020 2 497 67 67 PRO HD3 H 3.680 0.020 2 498 67 67 PRO CA C 63.526 0.400 1 499 67 67 PRO CB C 31.883 0.400 1 500 68 68 SER H H 8.134 0.020 1 501 68 68 SER HA H 4.475 0.020 1 502 68 68 SER HB2 H 3.971 0.020 2 503 68 68 SER HB3 H 3.817 0.020 2 504 68 68 SER N N 114.474 0.400 1 505 69 69 ALA H H 8.328 0.020 1 506 69 69 ALA HA H 4.306 0.020 1 507 69 69 ALA HB H 1.441 0.020 1 508 69 69 ALA CA C 52.992 0.400 1 509 69 69 ALA CB C 19.106 0.400 1 510 69 69 ALA N N 125.582 0.400 1 511 70 70 GLN H H 8.250 0.020 1 512 70 70 GLN HA H 4.110 0.020 1 513 70 70 GLN HB2 H 2.163 0.020 2 514 70 70 GLN HB3 H 1.684 0.020 2 515 70 70 GLN HG2 H 2.579 0.020 2 516 70 70 GLN HG3 H 2.234 0.020 2 517 70 70 GLN CA C 58.617 0.400 1 518 70 70 GLN CB C 28.484 0.400 1 519 70 70 GLN CG C 33.377 0.400 1 520 70 70 GLN N N 117.755 0.400 1 521 71 71 PRO HA H 4.390 0.020 1 522 71 71 PRO HB2 H 2.282 0.020 2 523 71 71 PRO HB3 H 1.844 0.020 2 524 71 71 PRO CA C 63.503 0.400 1 525 71 71 PRO CB C 32.037 0.400 1 526 72 72 TRP H H 8.286 0.020 1 527 72 72 TRP HA H 4.694 0.020 1 528 72 72 TRP HB2 H 3.293 0.020 2 529 72 72 TRP HB3 H 3.202 0.020 2 530 72 72 TRP HD1 H 7.059 0.020 1 531 72 72 TRP HE1 H 9.883 0.020 1 532 72 72 TRP HE3 H 7.701 0.020 1 533 72 72 TRP HZ2 H 7.480 0.020 1 534 72 72 TRP CA C 56.942 0.400 1 535 72 72 TRP CB C 29.922 0.400 1 536 72 72 TRP N N 122.354 0.400 1 537 72 72 TRP NE1 N 128.968 0.400 1 538 73 73 LYS H H 8.024 0.020 1 539 73 73 LYS HA H 4.317 0.020 1 540 73 73 LYS HB2 H 1.734 0.020 2 541 73 73 LYS HB3 H 1.504 0.020 2 542 73 73 LYS HD2 H 1.592 0.020 2 543 73 73 LYS HD3 H 1.592 0.020 2 544 73 73 LYS HE2 H 2.922 0.020 2 545 73 73 LYS HE3 H 2.922 0.020 2 546 73 73 LYS HG2 H 1.278 0.020 2 547 73 73 LYS HG3 H 1.233 0.020 2 548 73 73 LYS CA C 55.595 0.400 1 549 73 73 LYS CB C 32.803 0.400 1 550 73 73 LYS CD C 28.823 0.400 1 551 73 73 LYS CE C 41.944 0.400 1 552 73 73 LYS CG C 24.504 0.400 1 553 73 73 LYS N N 125.130 0.400 1 554 74 74 GLY H H 6.991 0.020 1 555 74 74 GLY HA2 H 3.835 0.020 2 556 74 74 GLY HA3 H 3.681 0.020 2 557 74 74 GLY CA C 44.252 0.400 1 558 74 74 GLY N N 108.119 0.400 1 559 75 75 ASP H H 8.407 0.020 1 560 75 75 ASP HA H 4.851 0.020 1 561 75 75 ASP HB2 H 2.809 0.020 2 562 75 75 ASP HB3 H 2.665 0.020 2 563 75 75 ASP CA C 52.318 0.400 1 564 75 75 ASP CB C 41.746 0.400 1 565 75 75 ASP N N 121.757 0.400 1 566 76 76 PRO HA H 4.316 0.020 1 567 76 76 PRO HB2 H 2.341 0.020 2 568 76 76 PRO HB3 H 1.983 0.020 2 569 76 76 PRO HD2 H 4.021 0.020 2 570 76 76 PRO HD3 H 3.931 0.020 2 571 76 76 PRO HG2 H 2.081 0.020 2 572 76 76 PRO HG3 H 2.081 0.020 2 573 76 76 PRO CA C 64.848 0.400 1 574 76 76 PRO CB C 32.258 0.400 1 575 76 76 PRO CD C 51.177 0.400 1 576 76 76 PRO CG C 27.385 0.400 1 577 77 77 VAL H H 8.283 0.020 1 578 77 77 VAL HA H 3.895 0.020 1 579 77 77 VAL HB H 2.175 0.020 1 580 77 77 VAL HG1 H 1.024 0.020 2 581 77 77 VAL HG2 H 0.958 0.020 2 582 77 77 VAL CA C 64.531 0.400 1 583 77 77 VAL CB C 31.665 0.400 1 584 77 77 VAL CG1 C 21.950 0.400 1 585 77 77 VAL CG2 C 21.467 0.400 1 586 77 77 VAL N N 118.233 0.400 1 587 78 78 GLU H H 8.022 0.020 1 588 78 78 GLU HA H 4.075 0.020 1 589 78 78 GLU HB2 H 2.266 0.020 2 590 78 78 GLU HB3 H 2.191 0.020 2 591 78 78 GLU HG2 H 2.481 0.020 2 592 78 78 GLU HG3 H 2.295 0.020 2 593 78 78 GLU CA C 58.250 0.400 1 594 78 78 GLU CB C 29.719 0.400 1 595 78 78 GLU CG C 37.031 0.400 1 596 78 78 GLU N N 119.573 0.400 1 597 79 79 GLN H H 7.489 0.020 1 598 79 79 GLN HA H 3.879 0.020 1 599 79 79 GLN HB2 H 1.840 0.020 2 600 79 79 GLN HB3 H 1.559 0.020 2 601 79 79 GLN HG2 H 1.926 0.020 2 602 79 79 GLN HG3 H 1.839 0.020 2 603 79 79 GLN CA C 56.379 0.400 1 604 79 79 GLN CB C 28.833 0.400 1 605 79 79 GLN CG C 33.733 0.400 1 606 79 79 GLN N N 115.345 0.400 1 607 80 80 LEU H H 7.590 0.020 1 608 80 80 LEU HA H 4.177 0.020 1 609 80 80 LEU HB2 H 1.847 0.020 2 610 80 80 LEU HB3 H 1.781 0.020 2 611 80 80 LEU HD1 H 0.956 0.020 2 612 80 80 LEU HD2 H 0.668 0.020 2 613 80 80 LEU HG H 1.634 0.020 1 614 80 80 LEU CA C 54.915 0.400 1 615 80 80 LEU CB C 41.634 0.400 1 616 80 80 LEU CD1 C 25.560 0.400 1 617 80 80 LEU CD2 C 22.526 0.400 1 618 80 80 LEU CG C 26.927 0.400 1 619 80 80 LEU N N 116.645 0.400 1 620 81 81 VAL H H 7.352 0.020 1 621 81 81 VAL HA H 4.685 0.020 1 622 81 81 VAL HB H 2.057 0.020 1 623 81 81 VAL HG1 H 0.822 0.020 2 624 81 81 VAL HG2 H 0.481 0.020 2 625 81 81 VAL CA C 61.356 0.400 1 626 81 81 VAL CB C 32.120 0.400 1 627 81 81 VAL CG1 C 21.257 0.400 1 628 81 81 VAL CG2 C 22.201 0.400 1 629 81 81 VAL N N 118.378 0.400 1 630 82 82 ARG H H 9.140 0.020 1 631 82 82 ARG HA H 4.488 0.020 1 632 82 82 ARG HB2 H 1.797 0.020 2 633 82 82 ARG HB3 H 1.610 0.020 2 634 82 82 ARG HD2 H 3.155 0.020 2 635 82 82 ARG HD3 H 3.155 0.020 2 636 82 82 ARG HG2 H 1.730 0.020 2 637 82 82 ARG HG3 H 1.608 0.020 2 638 82 82 ARG CA C 52.749 0.400 1 639 82 82 ARG CB C 32.367 0.400 1 640 82 82 ARG CD C 42.220 0.400 1 641 82 82 ARG CG C 26.974 0.400 1 642 82 82 ARG N N 125.527 0.400 1 643 83 83 HIS H H 8.153 0.020 1 644 83 83 HIS HA H 5.476 0.020 1 645 83 83 HIS HB2 H 3.061 0.020 2 646 83 83 HIS HB3 H 2.724 0.020 2 647 83 83 HIS HD2 H 7.051 0.020 1 648 83 83 HIS HE1 H 7.272 0.020 1 649 83 83 HIS CA C 55.363 0.400 1 650 83 83 HIS CB C 33.025 0.400 1 651 83 83 HIS N N 117.823 0.400 1 652 84 84 PHE H H 9.544 0.020 1 653 84 84 PHE HA H 4.767 0.020 1 654 84 84 PHE HB2 H 3.168 0.020 2 655 84 84 PHE HB3 H 2.650 0.020 2 656 84 84 PHE HD1 H 7.141 0.020 1 657 84 84 PHE HD2 H 7.141 0.020 1 658 84 84 PHE HE1 H 7.030 0.020 1 659 84 84 PHE HE2 H 7.030 0.020 1 660 84 84 PHE CB C 42.754 0.400 1 661 84 84 PHE N N 121.627 0.400 1 662 85 85 LEU H H 9.539 0.020 1 663 85 85 LEU HA H 5.286 0.020 1 664 85 85 LEU HB2 H 1.700 0.020 2 665 85 85 LEU HB3 H 1.529 0.020 2 666 85 85 LEU HD1 H 0.928 0.020 2 667 85 85 LEU HD2 H 0.849 0.020 2 668 85 85 LEU HG H 1.641 0.020 1 669 85 85 LEU CA C 53.926 0.400 1 670 85 85 LEU CB C 45.287 0.400 1 671 85 85 LEU CD1 C 25.043 0.400 1 672 85 85 LEU CD2 C 24.490 0.400 1 673 85 85 LEU CG C 27.511 0.400 1 674 85 85 LEU N N 126.434 0.400 1 675 86 86 ILE H H 9.243 0.020 1 676 86 86 ILE HA H 4.784 0.020 1 677 86 86 ILE HB H 1.951 0.020 1 678 86 86 ILE HD1 H 0.653 0.020 1 679 86 86 ILE HG12 H 1.559 0.020 2 680 86 86 ILE HG13 H 1.559 0.020 2 681 86 86 ILE HG2 H 0.846 0.020 1 682 86 86 ILE CB C 40.316 0.400 1 683 86 86 ILE CD1 C 14.869 0.400 1 684 86 86 ILE CG1 C 27.881 0.400 1 685 86 86 ILE CG2 C 18.630 0.400 1 686 86 86 ILE N N 123.192 0.400 1 687 87 87 GLU H H 9.052 0.020 1 688 87 87 GLU HA H 5.027 0.020 1 689 87 87 GLU HB2 H 2.204 0.020 2 690 87 87 GLU HB3 H 2.046 0.020 2 691 87 87 GLU HG2 H 2.282 0.020 2 692 87 87 GLU HG3 H 2.234 0.020 2 693 87 87 GLU CA C 54.424 0.400 1 694 87 87 GLU CB C 33.317 0.400 1 695 87 87 GLU CG C 36.653 0.400 1 696 87 87 GLU N N 125.035 0.400 1 697 88 88 THR H H 8.453 0.020 1 698 88 88 THR HA H 5.324 0.020 1 699 88 88 THR HB H 4.186 0.020 1 700 88 88 THR HG2 H 1.337 0.020 1 701 88 88 THR CA C 60.626 0.400 1 702 88 88 THR CB C 70.965 0.400 1 703 88 88 THR CG2 C 21.664 0.400 1 704 88 88 THR N N 114.058 0.400 1 705 89 89 GLY H H 8.576 0.020 1 706 89 89 GLY HA2 H 4.390 0.020 2 707 89 89 GLY HA3 H 4.292 0.020 2 708 89 89 GLY CA C 45.397 0.400 1 709 89 89 GLY N N 113.363 0.400 1 710 90 90 PRO HA H 4.314 0.020 1 711 90 90 PRO HB2 H 2.387 0.020 2 712 90 90 PRO HB3 H 1.852 0.020 2 713 90 90 PRO HD2 H 3.753 0.020 2 714 90 90 PRO HD3 H 3.617 0.020 2 715 90 90 PRO HG2 H 2.026 0.020 2 716 90 90 PRO HG3 H 2.026 0.020 2 717 90 90 PRO CA C 64.935 0.400 1 718 90 90 PRO CB C 32.234 0.400 1 719 90 90 PRO CD C 49.565 0.400 1 720 90 90 PRO CG C 27.320 0.400 1 721 91 91 LYS H H 8.252 0.020 1 722 91 91 LYS HA H 4.024 0.020 1 723 91 91 LYS HB2 H 1.023 0.020 2 724 91 91 LYS HB3 H 0.730 0.020 2 725 91 91 LYS HD2 H 1.322 0.020 2 726 91 91 LYS HD3 H 1.322 0.020 2 727 91 91 LYS HE2 H 2.774 0.020 2 728 91 91 LYS HE3 H 2.774 0.020 2 729 91 91 LYS HG2 H 1.126 0.020 2 730 91 91 LYS HG3 H 1.045 0.020 2 731 91 91 LYS CA C 56.486 0.400 1 732 91 91 LYS CB C 31.476 0.400 1 733 91 91 LYS CD C 28.851 0.400 1 734 91 91 LYS CE C 41.807 0.400 1 735 91 91 LYS CG C 25.504 0.400 1 736 91 91 LYS N N 114.473 0.400 1 737 92 92 GLY H H 7.782 0.020 1 738 92 92 GLY HA2 H 4.960 0.020 2 739 92 92 GLY HA3 H 3.807 0.020 2 740 92 92 GLY CA C 43.850 0.400 1 741 92 92 GLY N N 106.941 0.400 1 742 93 93 VAL H H 9.386 0.020 1 743 93 93 VAL HA H 5.665 0.020 1 744 93 93 VAL HB H 1.905 0.020 1 745 93 93 VAL HG1 H 1.012 0.020 2 746 93 93 VAL HG2 H 0.805 0.020 2 747 93 93 VAL CA C 58.850 0.400 1 748 93 93 VAL CB C 34.153 0.400 1 749 93 93 VAL CG1 C 22.439 0.400 1 750 93 93 VAL CG2 C 20.408 0.400 1 751 93 93 VAL N N 116.840 0.400 1 752 94 94 LYS H H 8.517 0.020 1 753 94 94 LYS HA H 4.900 0.020 1 754 94 94 LYS HB2 H 1.164 0.020 2 755 94 94 LYS HB3 H 1.164 0.020 2 756 94 94 LYS HD2 H 0.803 0.020 2 757 94 94 LYS HD3 H 0.541 0.020 2 758 94 94 LYS HE2 H 2.776 0.020 2 759 94 94 LYS HE3 H 2.551 0.020 2 760 94 94 LYS HG2 H 0.926 0.020 2 761 94 94 LYS HG3 H 0.839 0.020 2 762 94 94 LYS CA C 55.180 0.400 1 763 94 94 LYS CB C 37.871 0.400 1 764 94 94 LYS CD C 28.502 0.400 1 765 94 94 LYS CE C 41.829 0.400 1 766 94 94 LYS CG C 22.713 0.400 1 767 94 94 LYS N N 121.342 0.400 1 768 95 95 ILE H H 9.077 0.020 1 769 95 95 ILE HA H 4.198 0.020 1 770 95 95 ILE HB H 1.475 0.020 1 771 95 95 ILE HD1 H 0.117 0.020 1 772 95 95 ILE HG12 H 1.471 0.020 2 773 95 95 ILE HG13 H 0.702 0.020 2 774 95 95 ILE HG2 H 0.892 0.020 1 775 95 95 ILE CA C 62.737 0.400 1 776 95 95 ILE CB C 37.506 0.400 1 777 95 95 ILE CD1 C 12.070 0.400 1 778 95 95 ILE CG1 C 28.537 0.400 1 779 95 95 ILE CG2 C 16.954 0.400 1 780 95 95 ILE N N 126.613 0.400 1 781 96 96 LYS H H 8.976 0.020 1 782 96 96 LYS HA H 4.098 0.020 1 783 96 96 LYS HB2 H 1.930 0.020 2 784 96 96 LYS HB3 H 1.643 0.020 2 785 96 96 LYS HD2 H 1.602 0.020 2 786 96 96 LYS HD3 H 1.602 0.020 2 787 96 96 LYS HE2 H 2.919 0.020 2 788 96 96 LYS HE3 H 2.919 0.020 2 789 96 96 LYS HG2 H 1.524 0.020 2 790 96 96 LYS HG3 H 1.377 0.020 2 791 96 96 LYS CA C 57.414 0.400 1 792 96 96 LYS CB C 34.329 0.400 1 793 96 96 LYS CD C 29.774 0.400 1 794 96 96 LYS CE C 41.677 0.400 1 795 96 96 LYS CG C 25.317 0.400 1 796 96 96 LYS N N 130.931 0.400 1 797 97 97 GLY H H 8.786 0.020 1 798 97 97 GLY HA2 H 4.348 0.020 2 799 97 97 GLY HA3 H 3.760 0.020 2 800 97 97 GLY CA C 45.685 0.400 1 801 97 97 GLY N N 111.686 0.400 1 802 98 98 CYS H H 7.539 0.020 1 803 98 98 CYS HA H 5.107 0.020 1 804 98 98 CYS HB2 H 3.028 0.020 2 805 98 98 CYS HB3 H 2.577 0.020 2 806 98 98 CYS CA C 55.784 0.400 1 807 98 98 CYS CB C 29.665 0.400 1 808 98 98 CYS N N 118.791 0.400 1 809 99 99 PRO HA H 4.452 0.020 1 810 99 99 PRO HB2 H 2.399 0.020 2 811 99 99 PRO HB3 H 2.046 0.020 2 812 99 99 PRO HD2 H 4.062 0.020 2 813 99 99 PRO HD3 H 3.920 0.020 2 814 99 99 PRO HG2 H 2.095 0.020 2 815 99 99 PRO HG3 H 2.057 0.020 2 816 99 99 PRO CA C 64.888 0.400 1 817 99 99 PRO CB C 32.222 0.400 1 818 99 99 PRO CD C 51.953 0.400 1 819 99 99 PRO CG C 27.111 0.400 1 820 100 100 SER H H 7.784 0.020 1 821 100 100 SER HA H 4.318 0.020 1 822 100 100 SER HB2 H 3.800 0.020 2 823 100 100 SER HB3 H 3.800 0.020 2 824 100 100 SER CA C 58.602 0.400 1 825 100 100 SER CB C 62.793 0.400 1 826 100 100 SER N N 111.499 0.400 1 827 101 101 GLU H H 7.220 0.020 1 828 101 101 GLU HA H 4.580 0.020 1 829 101 101 GLU HB2 H 1.924 0.020 2 830 101 101 GLU HB3 H 1.863 0.020 2 831 101 101 GLU HG2 H 2.352 0.020 2 832 101 101 GLU HG3 H 2.352 0.020 2 833 101 101 GLU CB C 28.936 0.400 1 834 101 101 GLU CG C 33.445 0.400 1 835 101 101 GLU N N 122.653 0.400 1 836 102 102 PRO HA H 4.466 0.020 1 837 102 102 PRO HB2 H 1.944 0.020 2 838 102 102 PRO HB3 H 1.334 0.020 2 839 102 102 PRO HG2 H 1.713 0.020 2 840 102 102 PRO HG3 H 1.408 0.020 2 841 102 102 PRO CA C 61.160 0.400 1 842 102 102 PRO CB C 32.380 0.400 1 843 102 102 PRO CG C 26.296 0.400 1 844 103 103 TYR H H 7.866 0.020 1 845 103 103 TYR HA H 4.581 0.020 1 846 103 103 TYR HB2 H 2.698 0.020 2 847 103 103 TYR HB3 H 2.553 0.020 2 848 103 103 TYR HD1 H 6.811 0.020 1 849 103 103 TYR HD2 H 6.811 0.020 1 850 103 103 TYR HE1 H 6.702 0.020 1 851 103 103 TYR HE2 H 6.702 0.020 1 852 103 103 TYR CA C 58.828 0.400 1 853 103 103 TYR CB C 39.878 0.400 1 854 103 103 TYR N N 113.915 0.400 1 855 104 104 PHE H H 9.630 0.020 1 856 104 104 PHE HA H 4.846 0.020 1 857 104 104 PHE HB2 H 3.249 0.020 2 858 104 104 PHE HB3 H 2.832 0.020 2 859 104 104 PHE HD1 H 7.431 0.020 1 860 104 104 PHE HD2 H 7.431 0.020 1 861 104 104 PHE HE1 H 6.889 0.020 1 862 104 104 PHE HE2 H 6.889 0.020 1 863 104 104 PHE CA C 56.876 0.400 1 864 104 104 PHE CB C 43.659 0.400 1 865 104 104 PHE N N 119.137 0.400 1 866 105 105 GLY H H 9.359 0.020 1 867 105 105 GLY HA2 H 4.221 0.020 2 868 105 105 GLY HA3 H 3.926 0.020 2 869 105 105 GLY CA C 46.534 0.400 1 870 105 105 GLY N N 106.279 0.400 1 871 106 106 SER H H 7.399 0.020 1 872 106 106 SER HA H 4.708 0.020 1 873 106 106 SER HB2 H 4.278 0.020 2 874 106 106 SER HB3 H 4.112 0.020 2 875 106 106 SER CA C 56.298 0.400 1 876 106 106 SER CB C 66.019 0.400 1 877 106 106 SER N N 107.793 0.400 1 878 107 107 LEU H H 9.371 0.020 1 879 107 107 LEU HA H 3.895 0.020 1 880 107 107 LEU HB2 H 1.717 0.020 2 881 107 107 LEU HB3 H 1.390 0.020 2 882 107 107 LEU HD1 H 0.154 0.020 2 883 107 107 LEU HD2 H 0.338 0.020 2 884 107 107 LEU HG H 1.431 0.020 1 885 107 107 LEU CA C 57.797 0.400 1 886 107 107 LEU CB C 42.124 0.400 1 887 107 107 LEU CD1 C 24.033 0.400 1 888 107 107 LEU CD2 C 23.267 0.400 1 889 107 107 LEU CG C 26.430 0.400 1 890 107 107 LEU N N 122.177 0.400 1 891 108 108 SER H H 8.688 0.020 1 892 108 108 SER HA H 4.132 0.020 1 893 108 108 SER HB2 H 4.020 0.020 2 894 108 108 SER HB3 H 4.020 0.020 2 895 108 108 SER CA C 62.557 0.400 1 896 108 108 SER CB C 62.470 0.400 1 897 108 108 SER N N 113.909 0.400 1 898 109 109 ALA H H 7.993 0.020 1 899 109 109 ALA HA H 4.181 0.020 1 900 109 109 ALA HB H 1.684 0.020 1 901 109 109 ALA CA C 54.936 0.400 1 902 109 109 ALA CB C 18.669 0.400 1 903 109 109 ALA N N 125.506 0.400 1 904 110 110 LEU H H 7.353 0.020 1 905 110 110 LEU HA H 4.369 0.020 1 906 110 110 LEU HD1 H 0.881 0.020 2 907 110 110 LEU HD2 H 0.190 0.020 2 908 110 110 LEU HG H 1.215 0.020 1 909 110 110 LEU CD1 C 28.686 0.400 1 910 110 110 LEU CD2 C 22.944 0.400 1 911 110 110 LEU N N 121.441 0.400 1 912 111 111 VAL H H 8.380 0.020 1 913 111 111 VAL HA H 2.768 0.020 1 914 111 111 VAL HB H 1.503 0.020 1 915 111 111 VAL HG1 H -0.339 0.020 2 916 111 111 VAL HG2 H 0.053 0.020 2 917 111 111 VAL CA C 66.413 0.400 1 918 111 111 VAL CB C 31.451 0.400 1 919 111 111 VAL CG1 C 22.227 0.400 1 920 111 111 VAL CG2 C 20.913 0.400 1 921 111 111 VAL N N 124.216 0.400 1 922 112 112 SER H H 8.330 0.020 1 923 112 112 SER HA H 4.207 0.020 1 924 112 112 SER HB2 H 3.919 0.020 2 925 112 112 SER HB3 H 3.919 0.020 2 926 112 112 SER CB C 62.266 0.400 1 927 112 112 SER N N 114.952 0.400 1 928 114 114 HIS HA H 5.318 0.020 1 929 114 114 HIS HB2 H 3.236 0.020 2 930 114 114 HIS HB3 H 2.677 0.020 2 931 114 114 HIS CA C 57.908 0.400 1 932 114 114 HIS CB C 26.540 0.400 1 933 115 115 SER H H 7.687 0.020 1 934 115 115 SER HA H 4.956 0.020 1 935 115 115 SER HB2 H 4.067 0.020 2 936 115 115 SER HB3 H 3.742 0.020 2 937 115 115 SER CA C 59.924 0.400 1 938 115 115 SER CB C 63.702 0.400 1 939 115 115 SER N N 116.577 0.400 1 940 116 116 ILE H H 7.092 0.020 1 941 116 116 ILE HA H 4.255 0.020 1 942 116 116 ILE HB H 1.900 0.020 1 943 116 116 ILE HD1 H 0.826 0.020 1 944 116 116 ILE HG12 H 1.560 0.020 2 945 116 116 ILE HG13 H 1.117 0.020 2 946 116 116 ILE HG2 H 0.916 0.020 1 947 116 116 ILE CA C 62.282 0.400 1 948 116 116 ILE CB C 40.082 0.400 1 949 116 116 ILE CD1 C 13.225 0.400 1 950 116 116 ILE CG1 C 27.245 0.400 1 951 116 116 ILE CG2 C 17.445 0.400 1 952 116 116 ILE N N 119.597 0.400 1 953 117 117 SER H H 8.052 0.020 1 954 117 117 SER HA H 4.804 0.020 1 955 117 117 SER HB2 H 3.678 0.020 2 956 117 117 SER HB3 H 3.645 0.020 2 957 117 117 SER CB C 65.103 0.400 1 958 117 117 SER N N 116.952 0.400 1 959 118 118 PRO HA H 4.204 0.020 1 960 118 118 PRO HB2 H 1.888 0.020 2 961 118 118 PRO HB3 H 1.665 0.020 2 962 118 118 PRO CA C 64.884 0.400 1 963 118 118 PRO CB C 31.637 0.400 1 964 119 119 ILE H H 8.044 0.020 1 965 119 119 ILE HA H 3.162 0.020 1 966 119 119 ILE HB H 2.340 0.020 1 967 119 119 ILE HD1 H 0.507 0.020 1 968 119 119 ILE HG12 H 1.207 0.020 2 969 119 119 ILE HG13 H 0.700 0.020 2 970 119 119 ILE HG2 H 0.799 0.020 1 971 119 119 ILE CA C 65.195 0.400 1 972 119 119 ILE CB C 34.166 0.400 1 973 119 119 ILE CD1 C 12.207 0.400 1 974 119 119 ILE CG1 C 26.819 0.400 1 975 119 119 ILE CG2 C 18.502 0.400 1 976 119 119 ILE N N 114.765 0.400 1 977 120 120 SER HA H 4.493 0.020 1 978 120 120 SER HB2 H 4.067 0.020 2 979 120 120 SER HB3 H 3.956 0.020 2 980 120 120 SER CA C 59.981 0.400 1 981 120 120 SER CB C 65.155 0.400 1 982 121 121 LEU H H 8.247 0.020 1 983 121 121 LEU HA H 4.135 0.020 1 984 121 121 LEU HB2 H 2.030 0.020 2 985 121 121 LEU HB3 H 1.063 0.020 2 986 121 121 LEU HD1 H 0.358 0.020 2 987 121 121 LEU HD2 H -0.273 0.020 2 988 121 121 LEU HG H 1.403 0.020 1 989 121 121 LEU CA C 53.084 0.400 1 990 121 121 LEU CB C 40.509 0.400 1 991 121 121 LEU CD1 C 25.430 0.400 1 992 121 121 LEU CD2 C 20.402 0.400 1 993 121 121 LEU CG C 26.618 0.400 1 994 121 121 LEU N N 122.969 0.400 1 995 122 122 PRO HA H 4.404 0.020 1 996 122 122 PRO HB2 H 2.475 0.020 2 997 122 122 PRO HB3 H 2.028 0.020 2 998 122 122 PRO HD2 H 3.868 0.020 2 999 122 122 PRO HD3 H 3.635 0.020 2 1000 122 122 PRO HG2 H 2.214 0.020 2 1001 122 122 PRO HG3 H 1.768 0.020 2 1002 122 122 PRO CA C 63.528 0.400 1 1003 122 122 PRO CB C 32.114 0.400 1 1004 122 122 PRO CD C 50.982 0.400 1 1005 122 122 PRO CG C 28.275 0.400 1 1006 123 123 CYS H H 7.126 0.020 1 1007 123 123 CYS HA H 4.623 0.020 1 1008 123 123 CYS HB2 H 3.151 0.020 2 1009 123 123 CYS HB3 H 3.030 0.020 2 1010 123 123 CYS CA C 54.416 0.400 1 1011 123 123 CYS CB C 29.812 0.400 1 1012 123 123 CYS N N 109.212 0.400 1 1013 124 124 CYS H H 8.375 0.020 1 1014 124 124 CYS HA H 4.119 0.020 1 1015 124 124 CYS HB2 H 2.769 0.020 2 1016 124 124 CYS HB3 H 2.571 0.020 2 1017 124 124 CYS CA C 60.637 0.400 1 1018 124 124 CYS CB C 27.807 0.400 1 1019 124 124 CYS N N 114.746 0.400 1 1020 125 125 LEU H H 7.505 0.020 1 1021 125 125 LEU HA H 4.122 0.020 1 1022 125 125 LEU HB2 H 0.755 0.020 2 1023 125 125 LEU HB3 H 0.573 0.020 2 1024 125 125 LEU HD1 H -0.324 0.020 2 1025 125 125 LEU HD2 H 0.118 0.020 2 1026 125 125 LEU HG H 1.053 0.020 1 1027 125 125 LEU CA C 54.173 0.400 1 1028 125 125 LEU CB C 40.100 0.400 1 1029 125 125 LEU CD1 C 24.992 0.400 1 1030 125 125 LEU CD2 C 22.379 0.400 1 1031 125 125 LEU N N 119.446 0.400 1 1032 126 126 ARG H H 8.348 0.020 1 1033 126 126 ARG HA H 4.471 0.020 1 1034 126 126 ARG HB2 H 1.670 0.020 2 1035 126 126 ARG HB3 H 1.528 0.020 2 1036 126 126 ARG HD2 H 3.276 0.020 2 1037 126 126 ARG HD3 H 3.214 0.020 2 1038 126 126 ARG HG2 H 1.619 0.020 2 1039 126 126 ARG HG3 H 1.456 0.020 2 1040 126 126 ARG CA C 54.919 0.400 1 1041 126 126 ARG CB C 31.907 0.400 1 1042 126 126 ARG CD C 43.478 0.400 1 1043 126 126 ARG CG C 27.572 0.400 1 1044 126 126 ARG N N 122.822 0.400 1 1045 127 127 ILE H H 8.514 0.020 1 1046 127 127 ILE HA H 4.208 0.020 1 1047 127 127 ILE HB H 1.921 0.020 1 1048 127 127 ILE HD1 H 0.911 0.020 1 1049 127 127 ILE HG12 H 1.594 0.020 2 1050 127 127 ILE HG13 H 1.111 0.020 2 1051 127 127 ILE HG2 H 1.025 0.020 1 1052 127 127 ILE CA C 61.465 0.400 1 1053 127 127 ILE CB C 38.470 0.400 1 1054 127 127 ILE CD1 C 13.559 0.400 1 1055 127 127 ILE CG1 C 27.806 0.400 1 1056 127 127 ILE CG2 C 18.256 0.400 1 1057 127 127 ILE N N 124.081 0.400 1 1058 128 128 PRO HA H 4.468 0.020 1 1059 128 128 PRO HB2 H 1.692 0.020 2 1060 128 128 PRO HB3 H 1.594 0.020 2 1061 128 128 PRO HG2 H 0.881 0.020 2 1062 128 128 PRO HG3 H 0.881 0.020 2 1063 128 128 PRO CA C 54.799 0.400 1 1064 128 128 PRO CB C 42.752 0.400 1 1065 128 128 PRO CG C 23.599 0.400 1 1066 129 129 SER H H 8.215 0.020 1 1067 129 129 SER HA H 4.195 0.020 1 1068 129 129 SER HB2 H 3.730 0.020 2 1069 129 129 SER HB3 H 3.622 0.020 2 1070 129 129 SER CA C 57.514 0.400 1 1071 129 129 SER CB C 63.670 0.400 1 1072 129 129 SER N N 116.314 0.400 1 1073 130 130 LYS H H 7.801 0.020 1 1074 130 130 LYS HA H 4.164 0.020 1 1075 130 130 LYS HB2 H 1.752 0.020 2 1076 130 130 LYS HB3 H 1.652 0.020 2 1077 130 130 LYS HD2 H 1.632 0.020 2 1078 130 130 LYS HD3 H 1.632 0.020 2 1079 130 130 LYS HE2 H 2.963 0.020 2 1080 130 130 LYS HE3 H 2.963 0.020 2 1081 130 130 LYS HG2 H 1.320 0.020 2 1082 130 130 LYS HG3 H 1.320 0.020 2 1083 130 130 LYS CA C 55.468 0.400 1 1084 130 130 LYS CB C 33.672 0.400 1 1085 130 130 LYS CD C 29.008 0.400 1 1086 130 130 LYS CE C 42.028 0.400 1 1087 130 130 LYS CG C 24.056 0.400 1 1088 130 130 LYS N N 121.354 0.400 1 1089 131 131 ASP H H 8.283 0.020 1 1090 131 131 ASP HA H 4.861 0.020 1 1091 131 131 ASP HB2 H 2.749 0.020 2 1092 131 131 ASP HB3 H 2.449 0.020 2 1093 131 131 ASP CA C 52.939 0.400 1 1094 131 131 ASP CB C 40.393 0.400 1 1095 131 131 ASP N N 122.994 0.400 1 stop_ save_