data_18134 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; SOLUTION STRUCTURE OF THE FIRST SAM DOMAIN OF ODIN ; _BMRB_accession_number 18134 _BMRB_flat_file_name bmr18134.str _Entry_type original _Submission_date 2011-12-12 _Accession_date 2011-12-12 _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 Leone Marilisa . . 2 Mercurio Flavia . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 464 "13C chemical shifts" 244 "15N chemical shifts" 81 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-05-10 update BMRB 'update entry citation' 2012-01-25 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the first Sam domain of Odin and binding studies with the EphA2 receptor.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22332920 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Mercurio 'Flavia Anna' . . 2 Marasco Daniela . . 3 Pirone Luciano . . 4 Pedone 'Emilia Maria' . . 5 Pellecchia Maurizio . . 6 Leone Marilisa . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 51 _Journal_issue 10 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2136 _Page_last 2145 _Year 2012 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'FIRST SAM DOMAIN OF ODIN' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FIRST SAM DOMAIN OF ODIN' $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 entity _Molecular_mass 11308.773 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 101 _Mol_residue_sequence ; MGSSHHHHHHSSGLVPRGSH MISGLRTLEQSVGEWLESIG LQQYESKLLLNGFDDVHFLG SNVMEEQDLRDIGISDPQHR RKLLQAARSLPKVKALGYDG N ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 SER 4 SER 5 HIS 6 HIS 7 HIS 8 HIS 9 HIS 10 HIS 11 SER 12 SER 13 GLY 14 LEU 15 VAL 16 PRO 17 ARG 18 GLY 19 SER 20 HIS 21 MET 22 ILE 23 SER 24 GLY 25 LEU 26 ARG 27 THR 28 LEU 29 GLU 30 GLN 31 SER 32 VAL 33 GLY 34 GLU 35 TRP 36 LEU 37 GLU 38 SER 39 ILE 40 GLY 41 LEU 42 GLN 43 GLN 44 TYR 45 GLU 46 SER 47 LYS 48 LEU 49 LEU 50 LEU 51 ASN 52 GLY 53 PHE 54 ASP 55 ASP 56 VAL 57 HIS 58 PHE 59 LEU 60 GLY 61 SER 62 ASN 63 VAL 64 MET 65 GLU 66 GLU 67 GLN 68 ASP 69 LEU 70 ARG 71 ASP 72 ILE 73 GLY 74 ILE 75 SER 76 ASP 77 PRO 78 GLN 79 HIS 80 ARG 81 ARG 82 LYS 83 LEU 84 LEU 85 GLN 86 ALA 87 ALA 88 ARG 89 SER 90 LEU 91 PRO 92 LYS 93 VAL 94 LYS 95 ALA 96 LEU 97 GLY 98 TYR 99 ASP 100 GLY 101 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-15 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 2LMR "Solution Structure Of The First Sam Domain Of Odin" 100.00 101 100.00 100.00 3.22e-65 DBJ BAA13218 "KIAA0229 [Homo sapiens]" 79.21 1180 98.75 98.75 5.90e-44 DBJ BAG11153 "ankyrin repeat and SAM domain-containing protein 1A [synthetic construct]" 79.21 1134 98.75 98.75 4.12e-44 GB AAH31934 "ANKS1A protein [Homo sapiens]" 79.21 570 98.75 98.75 2.62e-45 GB AAI32833 "Ankyrin repeat and sterile alpha motif domain containing 1A [Homo sapiens]" 79.21 1134 98.75 98.75 4.12e-44 GB EAX03800 "ankyrin repeat and sterile alpha motif domain containing 1A, isoform CRA_a [Homo sapiens]" 79.21 1231 98.75 98.75 5.38e-44 GB EAX03803 "ankyrin repeat and sterile alpha motif domain containing 1A, isoform CRA_d [Homo sapiens]" 79.21 1131 98.75 98.75 4.10e-44 GB EAX03804 "ankyrin repeat and sterile alpha motif domain containing 1A, isoform CRA_e [Homo sapiens]" 79.21 1134 98.75 98.75 4.12e-44 REF NP_056060 "ankyrin repeat and SAM domain-containing protein 1A [Homo sapiens]" 79.21 1134 100.00 100.00 5.15e-45 REF XP_001111692 "PREDICTED: ankyrin repeat and SAM domain-containing protein 1A [Macaca mulatta]" 79.21 1131 97.50 97.50 3.16e-43 REF XP_003897533 "PREDICTED: ankyrin repeat and SAM domain-containing protein 1A isoform X6 [Papio anubis]" 79.21 1130 97.50 97.50 3.34e-43 REF XP_004043913 "PREDICTED: ankyrin repeat and SAM domain-containing protein 1A [Gorilla gorilla gorilla]" 79.21 1128 97.50 97.50 1.91e-43 REF XP_005249021 "PREDICTED: ankyrin repeat and SAM domain-containing protein 1A isoform X5 [Homo sapiens]" 79.21 1155 100.00 100.00 5.95e-45 SP Q92625 "RecName: Full=Ankyrin repeat and SAM domain-containing protein 1A; AltName: Full=Odin" 79.21 1134 100.00 100.00 5.15e-45 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . PET15B 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.9 1 '[U-100% 13C; U-100% 15N]' 'potassium chloride' 2.7 mM . . 'natural abundance' 'potassium phosphate' 1.8 mM . . 'natural abundance' 'sodium chloride' 140 mM . . 'natural abundance' 'sodium phosphate' 10 mM . . 'natural abundance' 'sodium azide' 0.2 % . . 'natural abundance' H2O 95 % . . 'natural abundance' D2O 5 % . . 99% stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.9 1 'natural abundance' 'potassium chloride' 2.7 mM . . 'natural abundance' 'potassium phosphate' 1.8 mM . . 'natural abundance' 'sodium chloride' 140 mM . . 'natural abundance' 'sodium phosphate' 10 mM . . 'natural abundance' 'sodium azide' 0.2 % . . 'natural abundance' D2O 100 % . . 99% stop_ save_ ############################ # Computer software used # ############################ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Vendor _Address _Electronic_address 'Bartels et al.' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 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 Unity _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_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HNCACB_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _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-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_11 _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' 0.2 . M pH 7.7 . 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 HCCH-TOCSY' '3D 1H-15N NOESY' 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 'FIRST SAM DOMAIN OF ODIN' _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 22 22 ILE HA H 4.51 0.01 1 2 22 22 ILE HB H 1.89 0.01 1 3 22 22 ILE HG12 H 1.46 0.01 2 4 22 22 ILE HG13 H 1.19 0.01 2 5 22 22 ILE HG2 H 0.93 0.01 1 6 22 22 ILE HD1 H 0.86 0.01 1 7 22 22 ILE CA C 63.40 0.20 1 8 22 22 ILE CB C 39.15 0.20 1 9 22 22 ILE CG1 C 27.44 0.20 1 10 22 22 ILE CG2 C 17.78 0.20 1 11 22 22 ILE CD1 C 13.32 0.20 1 12 23 23 SER H H 8.37 0.01 1 13 23 23 SER HA H 4.17 0.01 1 14 23 23 SER N N 120.77 0.50 1 15 26 26 ARG H H 8.16 0.01 1 16 26 26 ARG HA H 4.42 0.01 1 17 26 26 ARG HB2 H 2.04 0.01 1 18 26 26 ARG HB3 H 2.04 0.01 1 19 26 26 ARG HG2 H 1.61 0.01 1 20 26 26 ARG HG3 H 1.61 0.01 1 21 26 26 ARG HD2 H 3.15 0.01 1 22 26 26 ARG HD3 H 3.15 0.01 1 23 26 26 ARG CA C 56.40 0.20 1 24 26 26 ARG CB C 30.22 0.20 1 25 26 26 ARG CG C 27.32 0.20 1 26 26 26 ARG CD C 44.09 0.20 1 27 26 26 ARG N N 123.96 0.50 1 28 27 27 THR H H 8.15 0.01 1 29 27 27 THR HA H 4.24 0.01 1 30 27 27 THR HB H 4.18 0.01 1 31 27 27 THR HG2 H 1.19 0.01 1 32 27 27 THR CA C 61.71 0.20 1 33 27 27 THR CB C 70.28 0.20 1 34 27 27 THR CG2 C 22.01 0.20 1 35 27 27 THR N N 117.40 0.50 1 36 28 28 LEU H H 8.23 0.01 1 37 28 28 LEU HA H 4.30 0.01 1 38 28 28 LEU HB2 H 1.59 0.01 1 39 28 28 LEU HB3 H 1.59 0.01 1 40 28 28 LEU HG H 1.60 0.01 1 41 28 28 LEU HD1 H 0.81 0.01 2 42 28 28 LEU HD2 H 0.85 0.01 2 43 28 28 LEU CA C 55.80 0.20 1 44 28 28 LEU CB C 42.65 0.20 1 45 28 28 LEU CG C 27.32 0.20 1 46 28 28 LEU CD1 C 25.03 0.20 2 47 28 28 LEU CD2 C 23.82 0.20 2 48 28 28 LEU N N 125.24 0.50 1 49 29 29 GLU H H 8.36 0.01 1 50 29 29 GLU HA H 4.30 0.01 1 51 29 29 GLU HB2 H 2.08 0.01 2 52 29 29 GLU HB3 H 1.97 0.01 2 53 29 29 GLU HG2 H 2.29 0.01 1 54 29 29 GLU HG3 H 2.29 0.01 1 55 29 29 GLU CA C 57.13 0.20 1 56 29 29 GLU CB C 30.34 0.20 1 57 29 29 GLU CG C 36.49 0.20 1 58 29 29 GLU N N 123.42 0.50 1 59 30 30 GLN H H 8.09 0.01 1 60 30 30 GLN HA H 4.54 0.01 1 61 30 30 GLN HB2 H 2.14 0.01 1 62 30 30 GLN HB3 H 2.14 0.01 1 63 30 30 GLN HG2 H 2.40 0.01 1 64 30 30 GLN HG3 H 2.40 0.01 1 65 30 30 GLN HE21 H 6.76 0.01 2 66 30 30 GLN HE22 H 7.58 0.01 2 67 30 30 GLN CA C 55.92 0.20 1 68 30 30 GLN CB C 31.30 0.20 1 69 30 30 GLN CG C 33.84 0.20 1 70 30 30 GLN N N 122.83 0.50 1 71 30 30 GLN NE2 N 112.12 0.50 1 72 31 31 SER H H 8.76 0.01 1 73 31 31 SER HA H 4.70 0.01 1 74 31 31 SER HB2 H 4.36 0.01 2 75 31 31 SER HB3 H 4.09 0.01 2 76 31 31 SER CA C 57.61 0.20 1 77 31 31 SER CB C 65.90 0.20 1 78 31 31 SER N N 120.59 0.50 1 79 32 32 VAL H H 9.03 0.01 1 80 32 32 VAL HA H 3.77 0.01 1 81 32 32 VAL HB H 2.12 0.01 1 82 32 32 VAL HG1 H 1.08 0.01 1 83 32 32 VAL HG2 H 1.03 0.01 1 84 32 32 VAL CA C 67.63 0.20 1 85 32 32 VAL CB C 32.27 0.20 1 86 32 32 VAL CG1 C 21.53 0.20 1 87 32 32 VAL CG2 C 23.34 0.20 1 88 32 32 VAL N N 124.16 0.50 1 89 33 33 GLY H H 9.02 0.01 1 90 33 33 GLY HA2 H 3.60 0.01 2 91 33 33 GLY HA3 H 4.00 0.01 2 92 33 33 GLY CA C 48.20 0.20 1 93 33 33 GLY N N 110.07 0.50 1 94 34 34 GLU H H 7.96 0.01 1 95 34 34 GLU HA H 4.08 0.01 1 96 34 34 GLU HB2 H 2.18 0.01 2 97 34 34 GLU HB3 H 2.11 0.01 2 98 34 34 GLU HG2 H 2.36 0.01 2 99 34 34 GLU HG3 H 2.27 0.01 2 100 34 34 GLU CA C 59.42 0.20 1 101 34 34 GLU CB C 30.34 0.20 1 102 34 34 GLU CG C 37.58 0.20 1 103 34 34 GLU N N 124.85 0.50 1 104 35 35 TRP H H 8.58 0.01 1 105 35 35 TRP HA H 4.24 0.01 1 106 35 35 TRP HB2 H 3.47 0.01 2 107 35 35 TRP HB3 H 3.10 0.01 2 108 35 35 TRP HD1 H 7.24 0.01 1 109 35 35 TRP HE1 H 9.98 0.01 1 110 35 35 TRP HE3 H 7.44 0.01 1 111 35 35 TRP HZ2 H 7.02 0.01 1 112 35 35 TRP HZ3 H 6.64 0.01 1 113 35 35 TRP HH2 H 6.90 0.01 1 114 35 35 TRP CA C 61.71 0.20 1 115 35 35 TRP CB C 28.28 0.20 1 116 35 35 TRP CD1 C 127.08 0.20 1 117 35 35 TRP CE3 C 120.25 0.20 1 118 35 35 TRP CZ2 C 114.07 0.20 1 119 35 35 TRP CZ3 C 121.48 0.20 1 120 35 35 TRP CH2 C 122.36 0.20 1 121 35 35 TRP N N 125.67 0.50 1 122 35 35 TRP NE1 N 131.62 0.50 1 123 36 36 LEU H H 9.13 0.01 1 124 36 36 LEU HA H 3.35 0.01 1 125 36 36 LEU HB2 H 1.89 0.01 2 126 36 36 LEU HB3 H 0.79 0.01 2 127 36 36 LEU HG H 2.08 0.01 1 128 36 36 LEU HD1 H 0.83 0.01 1 129 36 36 LEU HD2 H 0.56 0.01 1 130 36 36 LEU CA C 57.37 0.20 1 131 36 36 LEU CB C 41.92 0.20 1 132 36 36 LEU CG C 26.59 0.20 1 133 36 36 LEU CD1 C 26.47 0.20 1 134 36 36 LEU CD2 C 22.85 0.20 1 135 36 36 LEU N N 121.44 0.50 1 136 37 37 GLU H H 8.25 0.01 1 137 37 37 GLU HA H 4.01 0.01 1 138 37 37 GLU HB2 H 2.18 0.01 2 139 37 37 GLU HB3 H 2.11 0.01 2 140 37 37 GLU HG2 H 2.26 0.01 2 141 37 37 GLU HG3 H 2.16 0.01 2 142 37 37 GLU CA C 59.06 0.20 1 143 37 37 GLU CB C 29.06 0.20 1 144 37 37 GLU CG C 36.49 0.20 1 145 37 37 GLU N N 122.29 0.50 1 146 38 38 SER H H 7.85 0.01 1 147 38 38 SER HA H 4.28 0.01 1 148 38 38 SER HB2 H 4.02 0.01 2 149 38 38 SER HB3 H 3.98 0.01 2 150 38 38 SER CA C 61.82 0.20 1 151 38 38 SER CB C 63.65 0.20 1 152 38 38 SER N N 118.85 0.50 1 153 39 39 ILE H H 6.94 0.01 1 154 39 39 ILE HA H 4.51 0.01 1 155 39 39 ILE HB H 1.87 0.01 1 156 39 39 ILE HG12 H 0.79 0.01 2 157 39 39 ILE HG13 H 0.73 0.01 2 158 39 39 ILE HG2 H 0.52 0.01 1 159 39 39 ILE HD1 H -0.04 0.01 1 160 39 39 ILE CA C 60.99 0.20 1 161 39 39 ILE CB C 38.66 0.20 1 162 39 39 ILE CG1 C 25.63 0.20 1 163 39 39 ILE CG2 C 17.06 0.20 1 164 39 39 ILE CD1 C 14.42 0.20 1 165 39 39 ILE N N 115.19 0.50 1 166 40 40 GLY H H 7.63 0.01 1 167 40 40 GLY HA2 H 3.99 0.01 1 168 40 40 GLY HA3 H 3.99 0.01 1 169 40 40 GLY CA C 47.18 0.20 1 170 40 40 GLY N N 112.25 0.50 1 171 41 41 LEU H H 7.81 0.01 1 172 41 41 LEU HA H 4.77 0.01 1 173 41 41 LEU HB2 H 1.09 0.01 2 174 41 41 LEU HB3 H 1.83 0.01 2 175 41 41 LEU HG H 1.33 0.01 1 176 41 41 LEU HD1 H 0.65 0.01 2 177 41 41 LEU HD2 H 0.42 0.01 2 178 41 41 LEU CA C 53.63 0.20 1 179 41 41 LEU CB C 43.13 0.20 1 180 41 41 LEU CG C 25.87 0.20 1 181 41 41 LEU CD1 C 26.84 0.20 2 182 41 41 LEU CD2 C 22.68 0.20 2 183 41 41 LEU N N 121.47 0.50 1 184 42 42 GLN H H 9.07 0.01 1 185 42 42 GLN HA H 3.89 0.01 1 186 42 42 GLN HB2 H 2.04 0.01 2 187 42 42 GLN HB3 H 1.93 0.01 2 188 42 42 GLN HG2 H 2.46 0.01 2 189 42 42 GLN HG3 H 2.41 0.01 2 190 42 42 GLN HE21 H 6.93 0.01 2 191 42 42 GLN HE22 H 7.68 0.01 2 192 42 42 GLN CA C 59.41 0.20 1 193 42 42 GLN CB C 27.56 0.20 1 194 42 42 GLN CG C 33.59 0.20 1 195 42 42 GLN N N 122.31 0.50 1 196 42 42 GLN NE2 N 114.40 0.50 1 197 43 43 GLN HA H 4.24 0.01 1 198 43 43 GLN HB2 H 1.93 0.01 2 199 43 43 GLN HB3 H 1.78 0.01 2 200 43 43 GLN HG2 H 1.40 0.01 2 201 43 43 GLN HG3 H 0.92 0.01 2 202 43 43 GLN HE21 H 6.93 0.01 2 203 43 43 GLN HE22 H 7.22 0.01 2 204 43 43 GLN CA C 58.00 0.20 1 205 43 43 GLN CB C 27.32 0.20 1 206 43 43 GLN CG C 32.03 0.20 1 207 43 43 GLN NE2 N 113.52 0.50 1 208 44 44 TYR H H 7.64 0.01 1 209 44 44 TYR HA H 4.79 0.01 1 210 44 44 TYR HB2 H 3.38 0.01 2 211 44 44 TYR HB3 H 2.57 0.01 2 212 44 44 TYR HD1 H 7.02 0.01 3 213 44 44 TYR HD2 H 7.02 0.01 3 214 44 44 TYR HE1 H 6.86 0.01 3 215 44 44 TYR HE2 H 6.86 0.01 3 216 44 44 TYR CA C 58.58 0.20 1 217 44 44 TYR CB C 38.30 0.20 1 218 44 44 TYR N N 121.18 0.50 1 219 45 45 GLU H H 7.85 0.01 1 220 45 45 GLU HA H 3.61 0.01 1 221 45 45 GLU HB2 H 2.20 0.01 1 222 45 45 GLU HB3 H 2.20 0.01 1 223 45 45 GLU HG2 H 2.22 0.01 2 224 45 45 GLU HG3 H 2.02 0.01 2 225 45 45 GLU CA C 61.59 0.20 1 226 45 45 GLU CB C 30.09 0.20 1 227 45 45 GLU CG C 36.25 0.20 1 228 45 45 GLU N N 124.81 0.50 1 229 46 46 SER H H 8.79 0.01 1 230 46 46 SER HA H 4.00 0.01 1 231 46 46 SER HB2 H 4.24 0.01 1 232 46 46 SER HB3 H 4.24 0.01 1 233 46 46 SER CA C 62.92 0.20 1 234 46 46 SER N N 114.66 0.50 1 235 47 47 LYS H H 7.81 0.01 1 236 47 47 LYS HA H 4.12 0.01 1 237 47 47 LYS HB2 H 1.89 0.01 1 238 47 47 LYS HB3 H 1.89 0.01 1 239 47 47 LYS CA C 59.56 0.20 1 240 47 47 LYS CB C 32.95 0.20 1 241 47 47 LYS CG C 27.44 0.20 1 242 47 47 LYS N N 122.81 0.50 1 243 48 48 LEU H H 8.01 0.01 1 244 48 48 LEU HA H 4.21 0.01 1 245 48 48 LEU HB2 H 1.89 0.01 2 246 48 48 LEU HB3 H 2.10 0.01 2 247 48 48 LEU HG H 1.76 0.01 1 248 48 48 LEU HD1 H 0.91 0.01 1 249 48 48 LEU HD2 H 0.80 0.01 1 250 48 48 LEU CA C 59.42 0.20 1 251 48 48 LEU CB C 40.35 0.20 1 252 48 48 LEU CG C 29.61 0.20 1 253 48 48 LEU CD1 C 26.59 0.20 1 254 48 48 LEU CD2 C 24.30 0.20 1 255 48 48 LEU N N 121.42 0.50 1 256 49 49 LEU H H 8.52 0.01 1 257 49 49 LEU HA H 3.89 0.01 1 258 49 49 LEU HB2 H 1.88 0.01 2 259 49 49 LEU HB3 H 1.59 0.01 2 260 49 49 LEU HG H 1.96 0.01 1 261 49 49 LEU HD1 H 1.01 0.01 2 262 49 49 LEU HD2 H 1.01 0.01 2 263 49 49 LEU CA C 59.06 0.20 1 264 49 49 LEU CB C 41.92 0.20 1 265 49 49 LEU CG C 27.56 0.20 1 266 49 49 LEU CD1 C 25.63 0.20 2 267 49 49 LEU CD2 C 22.87 0.20 2 268 49 49 LEU N N 121.26 0.50 1 269 50 50 LEU H H 8.53 0.01 1 270 50 50 LEU HA H 4.22 0.01 1 271 50 50 LEU HB2 H 1.88 0.01 2 272 50 50 LEU HB3 H 1.64 0.01 2 273 50 50 LEU HG H 1.82 0.01 1 274 50 50 LEU HD1 H 0.91 0.01 2 275 50 50 LEU HD2 H 0.91 0.01 2 276 50 50 LEU CA C 57.01 0.20 1 277 50 50 LEU CB C 42.16 0.20 1 278 50 50 LEU CG C 27.44 0.20 1 279 50 50 LEU CD1 C 24.78 0.20 2 280 50 50 LEU CD2 C 23.70 0.20 2 281 50 50 LEU N N 121.26 0.50 1 282 51 51 ASN H H 7.28 0.01 1 283 51 51 ASN HA H 4.84 0.01 1 284 51 51 ASN HB2 H 2.71 0.01 2 285 51 51 ASN HB3 H 3.05 0.01 2 286 51 51 ASN HD21 H 7.41 0.01 2 287 51 51 ASN HD22 H 8.66 0.01 2 288 51 51 ASN CA C 54.11 0.20 1 289 51 51 ASN CB C 40.96 0.20 1 290 51 51 ASN N N 116.66 0.50 1 291 51 51 ASN ND2 N 119.6 0.50 1 292 52 52 GLY H H 7.72 0.01 1 293 52 52 GLY HA2 H 3.93 0.01 2 294 52 52 GLY HA3 H 3.70 0.01 2 295 52 52 GLY CA C 46.13 0.20 1 296 52 52 GLY N N 107.53 0.50 1 297 53 53 PHE H H 8.21 0.01 1 298 53 53 PHE HA H 4.80 0.01 1 299 53 53 PHE HB2 H 3.05 0.01 2 300 53 53 PHE HB3 H 3.00 0.01 2 301 53 53 PHE HD1 H 7.09 0.01 3 302 53 53 PHE HD2 H 7.09 0.01 3 303 53 53 PHE HE1 H 7.17 0.01 3 304 53 53 PHE HE2 H 7.24 0.01 3 305 53 53 PHE HZ H 7.26 0.01 1 306 53 53 PHE CA C 56.65 0.20 1 307 53 53 PHE CB C 38.10 0.20 1 308 53 53 PHE N N 123.43 0.50 1 309 54 54 ASP H H 7.72 0.01 1 310 54 54 ASP HA H 4.57 0.01 1 311 54 54 ASP HB2 H 2.93 0.01 2 312 54 54 ASP HB3 H 2.49 0.01 2 313 54 54 ASP CA C 53.99 0.20 1 314 54 54 ASP CB C 41.80 0.20 1 315 54 54 ASP N N 117.17 0.50 1 316 55 55 ASP H H 7.83 0.01 1 317 55 55 ASP HA H 4.66 0.01 1 318 55 55 ASP HB2 H 2.72 0.01 2 319 55 55 ASP HB3 H 2.58 0.01 2 320 55 55 ASP CB C 39.27 0.20 1 321 55 55 ASP N N 121.39 0.50 1 322 56 56 VAL H H 8.80 0.01 1 323 56 56 VAL HA H 3.41 0.01 1 324 56 56 VAL HB H 1.72 0.01 1 325 56 56 VAL HG1 H 0.34 0.01 1 326 56 56 VAL HG2 H 0.60 0.01 1 327 56 56 VAL CA C 66.06 0.20 1 328 56 56 VAL CB C 31.78 0.20 1 329 56 56 VAL CG1 C 21.28 0.20 1 330 56 56 VAL CG2 C 21.41 0.20 1 331 57 57 HIS H H 8.39 0.01 1 332 57 57 HIS HA H 4.20 0.01 1 333 57 57 HIS HB2 H 3.05 0.01 1 334 57 57 HIS HB3 H 3.05 0.01 1 335 57 57 HIS HD2 H 6.97 0.01 1 336 57 57 HIS HE1 H 7.81 0.01 1 337 57 57 HIS CB C 29.13 0.20 1 338 57 57 HIS N N 121.39 0.50 1 339 58 58 PHE H H 7.93 0.01 1 340 58 58 PHE HA H 4.36 0.01 1 341 58 58 PHE HB2 H 3.23 0.01 2 342 58 58 PHE HB3 H 3.16 0.01 2 343 58 58 PHE HD1 H 7.17 0.01 3 344 58 58 PHE HD2 H 7.17 0.01 3 345 58 58 PHE HE1 H 7.23 0.01 3 346 58 58 PHE HE2 H 7.23 0.01 3 347 58 58 PHE HZ H 7.33 0.01 1 348 58 58 PHE CA C 60.15 0.20 1 349 58 58 PHE CB C 39.87 0.20 1 350 58 58 PHE N N 121.98 0.50 1 351 59 59 LEU H H 7.73 0.01 1 352 59 59 LEU HA H 4.04 0.01 1 353 59 59 LEU HB2 H 1.60 0.01 2 354 59 59 LEU HB3 H 1.29 0.01 2 355 59 59 LEU HG H 1.57 0.01 1 356 59 59 LEU HD1 H 0.66 0.01 2 357 59 59 LEU HD2 H 0.72 0.01 2 358 59 59 LEU CA C 57.73 0.20 1 359 59 59 LEU CB C 41.92 0.20 1 360 59 59 LEU CG C 27.44 0.20 1 361 59 59 LEU CD1 C 26.11 0.20 2 362 59 59 LEU CD2 C 24.18 0.20 2 363 59 59 LEU N N 121.80 0.50 1 364 60 60 GLY H H 7.80 0.01 1 365 60 60 GLY HA2 H 3.96 0.01 2 366 60 60 GLY HA3 H 3.66 0.01 2 367 60 60 GLY CA C 46.10 0.20 1 368 60 60 GLY N N 106.18 0.50 1 369 61 61 SER H H 7.61 0.01 1 370 61 61 SER HA H 4.77 0.01 1 371 61 61 SER HB2 H 4.40 0.01 2 372 61 61 SER HB3 H 3.87 0.01 2 373 61 61 SER CA C 59.37 0.20 1 374 61 61 SER CB C 64.45 0.20 1 375 61 61 SER N N 116.15 0.50 1 376 62 62 ASN HA H 4.67 0.01 1 377 62 62 ASN HB2 H 2.70 0.01 2 378 62 62 ASN HB3 H 2.61 0.01 2 379 62 62 ASN HD21 H 7.35 0.01 2 380 62 62 ASN HD22 H 6.80 0.01 2 381 62 62 ASN CA C 53.87 0.20 1 382 62 62 ASN CB C 39.15 0.20 1 383 62 62 ASN ND2 N 115.44 0.50 1 384 63 63 VAL H H 7.77 0.01 1 385 63 63 VAL HA H 4.09 0.01 1 386 63 63 VAL HB H 2.05 0.01 1 387 63 63 VAL HG1 H 0.88 0.01 1 388 63 63 VAL HG2 H 0.84 0.01 1 389 63 63 VAL CA C 62.68 0.20 1 390 63 63 VAL CB C 32.87 0.20 1 391 63 63 VAL CG1 C 21.28 0.20 1 392 63 63 VAL CG2 C 21.16 0.20 1 393 63 63 VAL N N 120.03 0.50 1 394 64 64 MET H H 7.90 0.01 1 395 64 64 MET HA H 4.46 0.01 1 396 64 64 MET HB2 H 1.94 0.01 1 397 64 64 MET HB3 H 1.94 0.01 1 398 64 64 MET HG2 H 2.27 0.01 1 399 64 64 MET HG3 H 2.27 0.01 1 400 64 64 MET HE H 1.69 0.01 1 401 64 64 MET CA C 55.61 0.20 1 402 64 64 MET CB C 34.40 0.20 1 403 64 64 MET CG C 32.37 0.20 1 404 64 64 MET CE C 16.90 0.20 1 405 64 64 MET N N 125.40 0.50 1 406 65 65 GLU H H 8.81 0.01 1 407 65 65 GLU HA H 4.68 0.01 1 408 65 65 GLU HB2 H 2.31 0.01 2 409 65 65 GLU HB3 H 1.89 0.01 2 410 65 65 GLU HG2 H 2.28 0.01 1 411 65 65 GLU HG3 H 2.28 0.01 1 412 65 65 GLU CA C 54.72 0.20 1 413 65 65 GLU CB C 33.00 0.20 1 414 65 65 GLU CG C 36.61 0.20 1 415 65 65 GLU N N 124.21 0.50 1 416 66 66 GLU H H 9.29 0.01 1 417 66 66 GLU HA H 3.66 0.01 1 418 66 66 GLU HB2 H 2.01 0.01 2 419 66 66 GLU HB3 H 2.09 0.01 2 420 66 66 GLU HG2 H 2.19 0.01 1 421 66 66 GLU HG3 H 2.19 0.01 1 422 66 66 GLU CA C 61.62 0.20 1 423 66 66 GLU CB C 29.25 0.20 1 424 66 66 GLU CG C 37.69 0.20 1 425 66 66 GLU N N 125.50 0.50 1 426 67 67 GLN H H 9.09 0.01 1 427 67 67 GLN HA H 3.74 0.01 1 428 67 67 GLN HB2 H 2.20 0.01 2 429 67 67 GLN HB3 H 1.95 0.01 2 430 67 67 GLN HG2 H 2.42 0.01 1 431 67 67 GLN HG3 H 2.42 0.01 1 432 67 67 GLN HE21 H 8.02 0.01 2 433 67 67 GLN HE22 H 6.90 0.01 2 434 67 67 GLN CA C 59.06 0.20 1 435 67 67 GLN CB C 29.08 0.20 1 436 67 67 GLN CG C 34.44 0.20 1 437 67 67 GLN N N 119.78 0.50 1 438 67 67 GLN NE2 N 117.53 0.50 1 439 68 68 ASP H H 7.40 0.01 1 440 68 68 ASP HA H 4.46 0.01 1 441 68 68 ASP HB2 H 2.94 0.01 2 442 68 68 ASP HB3 H 2.77 0.01 2 443 68 68 ASP CA C 57.80 0.20 1 444 68 68 ASP CB C 41.39 0.20 1 445 68 68 ASP N N 119.45 0.50 1 446 69 69 LEU H H 7.18 0.01 1 447 69 69 LEU HA H 4.14 0.01 1 448 69 69 LEU HB2 H 1.93 0.01 2 449 69 69 LEU HB3 H 1.22 0.01 2 450 69 69 LEU HG H 1.68 0.01 1 451 69 69 LEU HD1 H 0.87 0.01 2 452 69 69 LEU HD2 H 0.64 0.01 2 453 69 69 LEU CA C 56.53 0.20 1 454 69 69 LEU CB C 41.56 0.20 1 455 69 69 LEU CG C 26.35 0.20 1 456 69 69 LEU CD1 C 27.68 0.20 2 457 69 69 LEU CD2 C 22.01 0.20 2 458 69 69 LEU N N 116.95 0.50 1 459 70 70 ARG H H 7.99 0.01 1 460 70 70 ARG HA H 3.92 0.01 1 461 70 70 ARG HB2 H 1.94 0.01 2 462 70 70 ARG HB3 H 1.75 0.01 2 463 70 70 ARG HG2 H 1.50 0.01 2 464 70 70 ARG HG3 H 1.64 0.01 2 465 70 70 ARG HD2 H 3.21 0.01 2 466 70 70 ARG HD3 H 3.15 0.01 2 467 70 70 ARG CA C 59.78 0.20 1 468 70 70 ARG CB C 30.22 0.20 1 469 70 70 ARG CG C 27.92 0.20 1 470 70 70 ARG CD C 43.85 0.20 1 471 70 70 ARG N N 123.14 0.50 1 472 71 71 ASP H H 8.46 0.01 1 473 71 71 ASP HA H 4.45 0.01 1 474 71 71 ASP HB2 H 2.88 0.01 2 475 71 71 ASP HB3 H 2.77 0.01 2 476 71 71 ASP CA C 57.36 0.20 1 477 71 71 ASP CB C 40.55 0.20 1 478 71 71 ASP N N 121.96 0.50 1 479 72 72 ILE H H 7.18 0.01 1 480 72 72 ILE HA H 4.49 0.01 1 481 72 72 ILE HB H 2.24 0.01 1 482 72 72 ILE HG12 H 1.55 0.01 2 483 72 72 ILE HG13 H 1.35 0.01 2 484 72 72 ILE HG2 H 0.99 0.01 1 485 72 72 ILE HD1 H 0.75 0.01 1 486 72 72 ILE CA C 61.96 0.20 1 487 72 72 ILE CB C 38.30 0.20 1 488 72 72 ILE CG1 C 26.72 0.20 1 489 72 72 ILE CG2 C 17.78 0.20 1 490 72 72 ILE CD1 C 14.77 0.20 1 491 72 72 ILE N N 112.90 0.50 1 492 73 73 GLY H H 7.65 0.01 1 493 73 73 GLY HA2 H 4.35 0.01 2 494 73 73 GLY HA3 H 3.76 0.01 2 495 73 73 GLY CA C 46.15 0.20 1 496 73 73 GLY N N 108.40 0.50 1 497 74 74 ILE H H 7.86 0.01 1 498 74 74 ILE HA H 4.13 0.01 1 499 74 74 ILE HB H 1.57 0.01 1 500 74 74 ILE HG12 H 0.59 0.01 2 501 74 74 ILE HG13 H 1.23 0.01 2 502 74 74 ILE HG2 H 0.41 0.01 1 503 74 74 ILE HD1 H 0.33 0.01 1 504 74 74 ILE CA C 61.23 0.20 1 505 74 74 ILE CB C 34.44 0.20 1 506 74 74 ILE CG1 C 26.84 0.20 1 507 74 74 ILE CG2 C 16.82 0.20 1 508 74 74 ILE CD1 C 13.20 0.20 1 509 74 74 ILE N N 123.11 0.50 1 510 75 75 SER HA H 3.82 0.01 1 511 75 75 SER HB2 H 3.97 0.01 1 512 75 75 SER HB3 H 3.97 0.01 1 513 75 75 SER CA C 59.54 0.20 1 514 75 75 SER CB C 63.63 0.20 1 515 76 76 ASP H H 8.00 0.01 1 516 76 76 ASP HA H 4.80 0.01 1 517 76 76 ASP HB2 H 2.55 0.01 2 518 76 76 ASP HB3 H 2.37 0.01 2 519 76 76 ASP CA C 52.30 0.20 1 520 76 76 ASP CB C 42.04 0.20 1 521 76 76 ASP N N 127.64 0.50 1 522 77 77 PRO HA H 3.99 0.01 1 523 77 77 PRO HB2 H 2.39 0.01 1 524 77 77 PRO HB3 H 2.39 0.01 1 525 77 77 PRO HG2 H 2.11 0.01 2 526 77 77 PRO HG3 H 2.01 0.01 2 527 77 77 PRO HD2 H 3.77 0.01 2 528 77 77 PRO HD3 H 4.25 0.01 2 529 77 77 PRO CA C 65.58 0.20 1 530 77 77 PRO CB C 34.44 0.20 1 531 77 77 PRO CG C 27.80 0.20 1 532 77 77 PRO CD C 51.58 0.20 1 533 78 78 GLN H H 8.20 0.01 1 534 78 78 GLN HA H 4.15 0.01 1 535 78 78 GLN HB2 H 2.19 0.01 2 536 78 78 GLN HB3 H 2.13 0.01 2 537 78 78 GLN HG2 H 2.48 0.01 2 538 78 78 GLN HG3 H 2.41 0.01 2 539 78 78 GLN HE21 H 6.76 0.01 2 540 78 78 GLN HE22 H 7.64 0.01 2 541 78 78 GLN CA C 59.18 0.20 1 542 78 78 GLN CB C 27.80 0.20 1 543 78 78 GLN CG C 34.80 0.20 1 544 78 78 GLN N N 120.39 0.50 1 545 78 78 GLN NE2 N 113.43 0.50 1 546 79 79 HIS H H 8.06 0.01 1 547 79 79 HIS HA H 4.40 0.01 1 548 79 79 HIS HB2 H 3.21 0.01 2 549 79 79 HIS HB3 H 2.96 0.01 2 550 79 79 HIS HD2 H 6.84 0.01 1 551 79 79 HIS HE1 H 7.79 0.01 1 552 79 79 HIS CA C 57.49 0.20 1 553 79 79 HIS CB C 31.18 0.20 1 554 79 79 HIS CD2 C 119.80 0.20 1 555 79 79 HIS CE1 C 138.92 0.20 1 556 79 79 HIS N N 123.16 0.50 1 557 80 80 ARG H H 8.06 0.01 1 558 80 80 ARG HA H 3.76 0.01 1 559 80 80 ARG HB2 H 2.10 0.01 2 560 80 80 ARG HB3 H 1.55 0.01 2 561 80 80 ARG HG2 H 1.05 0.01 2 562 80 80 ARG HG3 H 1.85 0.01 2 563 80 80 ARG HD2 H 3.49 0.01 2 564 80 80 ARG HD3 H 3.10 0.01 2 565 80 80 ARG CA C 61.84 0.20 1 566 80 80 ARG CB C 31.78 0.20 1 567 80 80 ARG CG C 30.70 0.20 1 568 80 80 ARG CD C 44.58 0.20 1 569 80 80 ARG N N 118.25 0.50 1 570 81 81 ARG H H 7.70 0.01 1 571 81 81 ARG HA H 3.93 0.01 1 572 81 81 ARG HB2 H 1.93 0.01 2 573 81 81 ARG HB3 H 1.69 0.01 2 574 81 81 ARG HG2 H 1.71 0.01 2 575 81 81 ARG HG3 H 1.62 0.01 2 576 81 81 ARG HD2 H 3.20 0.01 2 577 81 81 ARG HD3 H 3.16 0.01 2 578 81 81 ARG CA C 60.27 0.20 1 579 81 81 ARG CB C 30.22 0.20 1 580 81 81 ARG CG C 27.92 0.20 1 581 81 81 ARG CD C 43.73 0.20 1 582 81 81 ARG N N 118.85 0.50 1 583 82 82 LYS H H 8.03 0.01 1 584 82 82 LYS HA H 4.05 0.01 1 585 82 82 LYS HB2 H 1.98 0.01 2 586 82 82 LYS HB3 H 1.87 0.01 2 587 82 82 LYS HG2 H 1.55 0.01 2 588 82 82 LYS HG3 H 1.35 0.01 2 589 82 82 LYS HD2 H 1.67 0.01 1 590 82 82 LYS HD3 H 1.67 0.01 1 591 82 82 LYS HE2 H 2.99 0.01 1 592 82 82 LYS HE3 H 2.99 0.01 1 593 82 82 LYS CA C 59.66 0.20 1 594 82 82 LYS CB C 33.11 0.20 1 595 82 82 LYS CG C 25.62 0.20 1 596 82 82 LYS CD C 29.73 0.20 1 597 82 82 LYS CE C 42.77 0.20 1 598 82 82 LYS N N 121.70 0.50 1 599 83 83 LEU H H 8.13 0.01 1 600 83 83 LEU HA H 3.81 0.01 1 601 83 83 LEU HB2 H 1.79 0.01 2 602 83 83 LEU HB3 H 1.48 0.01 2 603 83 83 LEU HG H 1.63 0.01 1 604 83 83 LEU HD1 H 0.75 0.01 2 605 83 83 LEU HD2 H 0.71 0.01 2 606 83 83 LEU CA C 58.46 0.20 1 607 83 83 LEU CB C 42.65 0.20 1 608 83 83 LEU CG C 28.28 0.20 1 609 83 83 LEU CD1 C 25.58 0.20 2 610 83 83 LEU CD2 C 26.28 0.20 2 611 83 83 LEU N N 122.31 0.50 1 612 84 84 LEU H H 8.03 0.01 1 613 84 84 LEU HA H 3.97 0.01 1 614 84 84 LEU HB2 H 1.75 0.01 2 615 84 84 LEU HB3 H 1.52 0.01 2 616 84 84 LEU HG H 1.70 0.01 1 617 84 84 LEU HD1 H 0.73 0.01 1 618 84 84 LEU HD2 H 0.73 0.01 1 619 84 84 LEU CA C 58.34 0.20 1 620 84 84 LEU CB C 42.04 0.20 1 621 84 84 LEU CG C 26.84 0.20 1 622 84 84 LEU CD1 C 25.15 0.20 1 623 84 84 LEU CD2 C 24.06 0.20 1 624 84 84 LEU N N 119.76 0.50 1 625 85 85 GLN H H 8.34 0.01 1 626 85 85 GLN HA H 4.00 0.01 1 627 85 85 GLN HB2 H 2.18 0.01 2 628 85 85 GLN HB3 H 2.11 0.01 2 629 85 85 GLN HG2 H 2.52 0.01 2 630 85 85 GLN HG3 H 2.40 0.01 2 631 85 85 GLN HE21 H 7.50 0.01 2 632 85 85 GLN HE22 H 6.88 0.01 2 633 85 85 GLN CA C 59.00 0.20 1 634 85 85 GLN CB C 28.89 0.20 1 635 85 85 GLN CG C 34.44 0.20 1 636 85 85 GLN N N 119.52 0.50 1 637 85 85 GLN NE2 N 113.76 0.50 1 638 86 86 ALA H H 8.32 0.01 1 639 86 86 ALA HA H 4.29 0.01 1 640 86 86 ALA HB H 1.64 0.01 1 641 86 86 ALA CA C 55.20 0.20 1 642 86 86 ALA CB C 19.35 0.20 1 643 86 86 ALA N N 124.28 0.50 1 644 87 87 ALA H H 8.77 0.01 1 645 87 87 ALA HA H 4.05 0.01 1 646 87 87 ALA HB H 1.48 0.01 1 647 87 87 ALA CA C 55.32 0.20 1 648 87 87 ALA CB C 18.15 0.20 1 649 87 87 ALA N N 124.84 0.50 1 650 88 88 ARG H H 8.01 0.01 1 651 88 88 ARG HA H 4.24 0.01 1 652 88 88 ARG HB2 H 1.94 0.01 1 653 88 88 ARG HB3 H 1.94 0.01 1 654 88 88 ARG HG2 H 1.46 0.01 1 655 88 88 ARG HG3 H 1.46 0.01 1 656 88 88 ARG HD2 H 3.15 0.01 1 657 88 88 ARG HD3 H 3.15 0.01 1 658 88 88 ARG CA C 58.09 0.20 1 659 88 88 ARG CB C 30.44 0.20 1 660 88 88 ARG CG C 27.78 0.20 1 661 88 88 ARG CD C 43.95 0.20 1 662 88 88 ARG N N 118.02 0.50 1 663 89 89 SER H H 7.62 0.01 1 664 89 89 SER HA H 4.53 0.01 1 665 89 89 SER HB2 H 4.03 0.01 1 666 89 89 SER HB3 H 4.03 0.01 1 667 89 89 SER CA C 58.63 0.20 1 668 89 89 SER CB C 64.37 0.20 1 669 89 89 SER N N 115.06 0.50 1 670 90 90 LEU H H 7.35 0.01 1 671 90 90 LEU HA H 4.41 0.01 1 672 90 90 LEU HB2 H 1.70 0.01 2 673 90 90 LEU HB3 H 1.35 0.01 2 674 90 90 LEU HD1 H 0.42 0.01 2 675 90 90 LEU HD2 H 0.57 0.01 2 676 90 90 LEU CA C 54.47 0.20 1 677 90 90 LEU CB C 41.44 0.20 1 678 90 90 LEU CD1 C 25.75 0.20 2 679 90 90 LEU CD2 C 23.10 0.20 2 680 90 90 LEU N N 126.54 0.50 1 681 91 91 PRO HA H 4.39 0.01 1 682 91 91 PRO HB2 H 2.28 0.01 2 683 91 91 PRO HB3 H 1.92 0.01 2 684 91 91 PRO HG2 H 2.03 0.01 1 685 91 91 PRO HG3 H 2.03 0.01 1 686 91 91 PRO HD2 H 3.53 0.01 2 687 91 91 PRO HD3 H 3.82 0.01 2 688 91 91 PRO CA C 63.28 0.20 1 689 91 91 PRO CB C 32.51 0.20 1 690 91 91 PRO CG C 27.80 0.20 1 691 91 91 PRO CD C 51.22 0.20 1 692 92 92 LYS H H 8.33 0.01 1 693 92 92 LYS HA H 4.32 0.01 1 694 92 92 LYS HB2 H 1.82 0.01 1 695 92 92 LYS HB3 H 1.82 0.01 1 696 92 92 LYS HG2 H 1.46 0.01 2 697 92 92 LYS HG3 H 1.40 0.01 2 698 92 92 LYS HD2 H 1.70 0.01 2 699 92 92 LYS HD3 H 1.66 0.01 2 700 92 92 LYS HE2 H 3.01 0.01 1 701 92 92 LYS HE3 H 3.01 0.01 1 702 92 92 LYS CA C 56.28 0.20 1 703 92 92 LYS CB C 33.35 0.20 1 704 92 92 LYS CG C 25.15 0.20 1 705 92 92 LYS CD C 29.49 0.20 1 706 92 92 LYS N N 122.48 0.50 1 707 93 93 VAL H H 8.06 0.01 1 708 93 93 VAL HA H 4.07 0.01 1 709 93 93 VAL HB H 1.99 0.01 1 710 93 93 VAL HG1 H 0.90 0.01 2 711 93 93 VAL HG2 H 0.87 0.01 2 712 93 93 VAL CA C 63.13 0.20 1 713 93 93 VAL CB C 33.23 0.20 1 714 93 93 VAL CG1 C 20.98 0.20 2 715 93 93 VAL CG2 C 20.85 0.20 2 716 93 93 VAL N N 122.31 0.50 1 717 94 94 LYS H H 8.34 0.01 1 718 94 94 LYS HA H 4.29 0.01 1 719 94 94 LYS HB2 H 1.78 0.01 2 720 94 94 LYS HB3 H 1.73 0.01 2 721 94 94 LYS HG2 H 1.46 0.01 2 722 94 94 LYS HG3 H 1.41 0.01 2 723 94 94 LYS HD2 H 1.68 0.01 2 724 94 94 LYS HD3 H 1.65 0.01 2 725 94 94 LYS HE2 H 3.01 0.01 2 726 94 94 LYS HE3 H 2.96 0.01 2 727 94 94 LYS CA C 56.53 0.20 1 728 94 94 LYS CB C 33.47 0.20 1 729 94 94 LYS CG C 25.03 0.20 1 730 94 94 LYS CD C 29.37 0.20 1 731 94 94 LYS CE C 42.65 0.20 1 732 94 94 LYS N N 127.33 0.50 1 733 95 95 ALA H H 8.29 0.01 1 734 95 95 ALA HA H 4.27 0.01 1 735 95 95 ALA HB H 1.36 0.01 1 736 95 95 ALA CA C 52.98 0.20 1 737 95 95 ALA CB C 19.35 0.20 1 738 95 95 ALA N N 127.62 0.50 1 739 96 96 LEU H H 8.24 0.01 1 740 96 96 LEU HA H 4.30 0.01 1 741 96 96 LEU HB2 H 1.60 0.01 1 742 96 96 LEU HB3 H 1.60 0.01 1 743 96 96 LEU HG H 1.65 0.01 1 744 96 96 LEU HD1 H 0.89 0.01 2 745 96 96 LEU HD2 H 0.84 0.01 2 746 96 96 LEU CA C 56.53 0.20 1 747 96 96 LEU CB C 42.65 0.20 1 748 96 96 LEU CG C 27.32 0.20 1 749 96 96 LEU CD1 C 25.03 0.20 2 750 96 96 LEU CD2 C 23.82 0.20 2 751 96 96 LEU N N 123.67 0.50 1 752 97 97 GLY H H 8.40 0.01 1 753 97 97 GLY HA2 H 3.85 0.01 1 754 97 97 GLY HA3 H 3.85 0.01 1 755 97 97 GLY CA C 45.78 0.20 1 756 97 97 GLY N N 111.54 0.50 1 757 98 98 TYR H H 8.06 0.01 1 758 98 98 TYR HA H 4.59 0.01 1 759 98 98 TYR HB2 H 3.04 0.01 2 760 98 98 TYR HB3 H 2.98 0.01 2 761 98 98 TYR HD1 H 7.11 0.01 3 762 98 98 TYR HD2 H 7.11 0.01 3 763 98 98 TYR HE1 H 6.90 0.01 3 764 98 98 TYR HE2 H 6.90 0.01 3 765 98 98 TYR CA C 58.34 0.20 1 766 98 98 TYR CB C 39.15 0.20 1 767 98 98 TYR N N 122.57 0.50 1 768 99 99 ASP H H 8.35 0.01 1 769 99 99 ASP HA H 4.56 0.01 1 770 99 99 ASP HB2 H 2.63 0.01 1 771 99 99 ASP HB3 H 2.63 0.01 1 772 99 99 ASP CA C 55.40 0.20 1 773 99 99 ASP CB C 41.65 0.20 1 774 99 99 ASP N N 124.88 0.50 1 775 100 100 GLY H H 7.54 0.01 1 776 100 100 GLY HA2 H 3.89 0.01 2 777 100 100 GLY HA3 H 3.78 0.01 2 778 100 100 GLY CA C 45.61 0.20 1 779 100 100 GLY N N 110.34 0.50 1 780 101 101 ASN H H 7.95 0.01 1 781 101 101 ASN HA H 4.54 0.01 1 782 101 101 ASN HB2 H 2.76 0.01 2 783 101 101 ASN HB3 H 2.67 0.01 2 784 101 101 ASN HD21 H 7.47 0.01 2 785 101 101 ASN HD22 H 6.85 0.01 2 786 101 101 ASN CA C 55.08 0.20 1 787 101 101 ASN CB C 40.80 0.20 1 788 101 101 ASN N N 125.98 0.50 1 789 101 101 ASN ND2 N 115.28 0.50 1 stop_ save_