data_15956 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure analysis of a BMP receptor ; _BMRB_accession_number 15956 _BMRB_flat_file_name bmr15956.str _Entry_type original _Submission_date 2008-09-17 _Accession_date 2008-09-17 _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 Klages Jochen . . 2 Kotzsch Alexander . . 3 Mueller Thomas . . 4 Kessler Horst . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 540 "13C chemical shifts" 379 "15N chemical shifts" 101 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-06-02 update BMRB 'edit assembly name' 2009-02-10 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'The solution structure of BMPR-IA reveals a local disorder-to-order transition upon BMP-2 binding' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 18937504 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Klages Jochen . . 2 Kotzsch Alexander . . 3 Coles Murray . . 4 Nickel Joachim . . 5 Mueller Thomas . . 6 Kessler Horst . . stop_ _Journal_abbreviation Biochemistry _Journal_name_full Biochemistry _Journal_volume 47 _Journal_issue 46 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11930 _Page_last 11939 _Year 2008 _Details . loop_ _Keyword 'Bone Morphogenetic Protein Receptor type IA' 'induced fit' 'molecular recognition' NMR stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name BMPR-IA _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Bone Morphogenetic Protein Receptor Type IA' $Bone_Morphogenetic_Protein_Receptor_Type_IA 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_Bone_Morphogenetic_Protein_Receptor_Type_IA _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Bone_Morphogenetic_Protein_Receptor_Type_IA _Molecular_mass 11278.752 _Mol_thiol_state 'all disulfide bound' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 102 _Mol_residue_sequence ; GPEDTLPFLKCYCSGHCPDD AINNTCITNGHCFAIIEEDD QGETTLASGCMKYEGSDFQC KDSPKAQLRRTIECCRTNLC NQYLQPTLPPVVIGPFFDGS IR ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 28 GLY 2 29 PRO 3 30 GLU 4 31 ASP 5 32 THR 6 33 LEU 7 34 PRO 8 35 PHE 9 36 LEU 10 37 LYS 11 38 CYS 12 39 TYR 13 40 CYS 14 41 SER 15 42 GLY 16 43 HIS 17 44 CYS 18 45 PRO 19 46 ASP 20 47 ASP 21 48 ALA 22 49 ILE 23 50 ASN 24 51 ASN 25 52 THR 26 53 CYS 27 54 ILE 28 55 THR 29 56 ASN 30 57 GLY 31 58 HIS 32 59 CYS 33 60 PHE 34 61 ALA 35 62 ILE 36 63 ILE 37 64 GLU 38 65 GLU 39 66 ASP 40 67 ASP 41 68 GLN 42 69 GLY 43 70 GLU 44 71 THR 45 72 THR 46 73 LEU 47 74 ALA 48 75 SER 49 76 GLY 50 77 CYS 51 78 MET 52 79 LYS 53 80 TYR 54 81 GLU 55 82 GLY 56 83 SER 57 84 ASP 58 85 PHE 59 86 GLN 60 87 CYS 61 88 LYS 62 89 ASP 63 90 SER 64 91 PRO 65 92 LYS 66 93 ALA 67 94 GLN 68 95 LEU 69 96 ARG 70 97 ARG 71 98 THR 72 99 ILE 73 100 GLU 74 101 CYS 75 102 CYS 76 103 ARG 77 104 THR 78 105 ASN 79 106 LEU 80 107 CYS 81 108 ASN 82 109 GLN 83 110 TYR 84 111 LEU 85 112 GLN 86 113 PRO 87 114 THR 88 115 LEU 89 116 PRO 90 117 PRO 91 118 VAL 92 119 VAL 93 120 ILE 94 121 GLY 95 122 PRO 96 123 PHE 97 124 PHE 98 125 ASP 99 126 GLY 100 127 SER 101 128 ILE 102 129 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-04-25 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 1ES7 "Complex Between Bmp-2 And Two Bmp Receptor Ia Ectodomains" 87.25 89 100.00 100.00 6.75e-58 PDB 1REW "Structural Refinement Of The Complex Of Bone Morphogenetic Protein 2 And Its Type Ia Receptor" 100.00 135 99.02 99.02 1.16e-68 PDB 2GOO "Ternary Complex Of Bmp-2 Bound To Bmpr-Ia-Ecd And Actrii-Ecd" 100.00 131 99.02 99.02 2.42e-68 PDB 2H62 "Crystal Structure Of A Ternary Ligand-Receptor Complex Of Bmp-2" 100.00 129 99.02 99.02 2.10e-68 PDB 2H64 "Crystal Structure Of A Ternary Ligand-Receptor Complex Of Bmp-2" 100.00 129 99.02 99.02 2.10e-68 PDB 2K3G "Nmr Structure Analysis Of A Bmp Receptor" 100.00 102 100.00 100.00 2.93e-68 PDB 3NH7 "Crystal Structure Of The Neutralizing Fab Fragment Abd1556 Bound To The Bmp Type I Receptor Ia" 100.00 129 99.02 99.02 2.10e-68 PDB 3QB4 "Crystal Structure Of A Tgf-Beta Ligand-Receptor Complex" 100.00 135 99.02 99.02 1.16e-68 DBJ BAA03769 "BMP receptor [Mus musculus]" 100.00 532 98.04 98.04 9.06e-66 DBJ BAA04549 "bone merphogenetic protein 4 receptor [Rattus norvegicus]" 100.00 532 97.06 98.04 1.55e-65 DBJ BAA07275 "bone morphogenetic protein type IA receptor [Rattus norvegicus]" 100.00 532 97.06 98.04 1.55e-65 DBJ BAE20961 "unnamed protein product [Mus musculus]" 100.00 532 98.04 98.04 9.06e-66 DBJ BAF84453 "unnamed protein product [Homo sapiens]" 100.00 532 99.02 99.02 1.27e-66 EMBL CAA70474 "mouse BMP-2/4 receptor [synthetic construct]" 100.00 136 98.04 98.04 1.55e-67 EMBL CAA80257 "ALK-3 [Homo sapiens]" 100.00 532 99.02 99.02 1.27e-66 EMBL CAA80678 "ALK-3 [Mus musculus]" 100.00 532 98.04 98.04 9.06e-66 GB AAA21514 "BRK-1 [Mus musculus]" 100.00 532 98.04 98.04 9.06e-66 GB AAA21515 "BRK-1T [Mus musculus]" 100.00 500 98.04 98.04 7.97e-66 GB AAB33865 "bone morphogenetic protein type IA receptor [Rattus sp.]" 100.00 532 97.06 98.04 1.55e-65 GB AAH28383 "Bone morphogenetic protein receptor, type IA [Homo sapiens]" 100.00 532 99.02 99.02 1.70e-66 GB AAH42611 "Bone morphogenetic protein receptor, type 1A [Mus musculus]" 100.00 532 98.04 98.04 9.06e-66 REF NP_001070268 "bone morphogenetic protein receptor type-1A precursor [Bos taurus]" 100.00 532 97.06 98.04 4.03e-65 REF NP_001138622 "bone morphogenetic protein receptor type-1A [Canis lupus familiaris]" 100.00 532 99.02 99.02 1.28e-66 REF NP_001191696 "bone morphogenetic protein receptor type-1A precursor [Sus scrofa]" 100.00 532 99.02 99.02 1.31e-66 REF NP_001247522 "bone morphogenetic protein receptor type-1A precursor [Macaca mulatta]" 100.00 532 99.02 99.02 1.35e-66 REF NP_001267643 "bone morphogenetic protein receptor type-1A precursor [Ovis aries]" 100.00 532 99.02 99.02 1.31e-66 SP P36894 "RecName: Full=Bone morphogenetic protein receptor type-1A; Short=BMP type-1A receptor; Short=BMPR-1A; AltName: Full=Activin rec" 100.00 532 99.02 99.02 1.70e-66 SP P36895 "RecName: Full=Bone morphogenetic protein receptor type-1A; Short=BMP type-1A receptor; Short=BMPR-1A; AltName: Full=Activin rec" 100.00 532 98.04 98.04 9.06e-66 SP Q78EA7 "RecName: Full=Bone morphogenetic protein receptor type-1A; Short=BMP type-1A receptor; Short=BMPR-1A; AltName: Full=Activin rec" 100.00 532 97.06 98.04 1.55e-65 TPG DAA14159 "TPA: bone morphogenetic protein receptor, type IA [Bos taurus]" 100.00 532 99.02 99.02 1.70e-66 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Bone_Morphogenetic_Protein_Receptor_Type_IA 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 $Bone_Morphogenetic_Protein_Receptor_Type_IA 'recombinant technology' . Escherichia coli BL21(DE3) pET32a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details 'pH 6.3' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Bone_Morphogenetic_Protein_Receptor_Type_IA 1.1 mM '[U-99% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' 'potassium phosphate' 10 mM 'natural abundance' 'sodium azide' 0.2 w/v 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details 'pH 6.3' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Bone_Morphogenetic_Protein_Receptor_Type_IA 0.5 mM '[U-94% 13C; U-98% 15N]' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' 'potassium phosphate' 10 mM 'natural abundance' 'sodium azide' 0.2 w/v 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Saveframe_category software _Name 'X-PLOR NIH' _Version 2.9.4a loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 1.3 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 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_TALOS _Saveframe_category software _Name TALOS _Version . loop_ _Vendor _Address _Electronic_address 'Cornilescu, Delaglio and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_ProcheckNMR _Saveframe_category software _Name ProcheckNMR _Version . loop_ _Vendor _Address _Electronic_address 'Laskowski and MacArthur' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_AQUA _Saveframe_category software _Name AQUA _Version . loop_ _Vendor _Address _Electronic_address 'Rullmann, Doreleijers and Kaptein' . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ save_WhatIF _Saveframe_category software _Name WhatIF _Version . loop_ _Vendor _Address _Electronic_address Vriend . . stop_ loop_ _Task 'geometry optimization' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details 'equipped with cryo probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details 'equipped with cryo probe' save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _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_2 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_2 save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_2 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_2 save_ save_3D_HNCACB_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_2 save_ save_3D_C(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HNHA_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_2D_1H-1H_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_2 save_ save_3D_HNHB_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_2 save_ save_3D_1H-15N-15N_NOESY_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-15N-13C_NIOESY_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N-13C NIOESY' _Sample_label $sample_2 save_ save_3D_HCCH-TOCSY_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_2 save_ save_3D_HN(CA)HA_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)HA' _Sample_label $sample_2 save_ save_3D_HN(CA)CO_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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 pH 6.3 . 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 TSP C 13 protons ppm 0.00 external indirect . . . 0.25144953 TSP H 1 protons ppm 0.00 external direct . . . 1.000 TSP N 15 protons ppm 0.00 external 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 HNCO' '3D HNCA' '3D CBCA(CO)NH' '3D HBHA(CO)NH' '3D HNCACB' '3D C(CO)NH' '3D HCCH-TOCSY' '3D HNHA' '3D HNHB' '3D HCCH-COSY' '3D HN(CA)HA' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_2 $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Bone Morphogenetic Protein Receptor Type IA' _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 29 2 PRO HA H 4.31 0.02 1 2 29 2 PRO HB2 H 1.83 0.02 1 3 29 2 PRO HB3 H 2.21 0.02 1 4 29 2 PRO HD2 H 3.47 0.02 2 5 29 2 PRO HD3 H 3.59 0.02 2 6 29 2 PRO HG2 H 1.95 0.02 1 7 29 2 PRO HG3 H 1.95 0.02 1 8 29 2 PRO CA C 64.38 0.05 1 9 29 2 PRO CB C 32.30 0.05 1 10 29 2 PRO CD C 49.90 0.05 1 11 29 2 PRO CG C 27.38 0.05 1 12 30 3 GLU H H 9.01 0.02 1 13 30 3 GLU HA H 4.17 0.02 1 14 30 3 GLU HB2 H 2.00 0.02 2 15 30 3 GLU HB3 H 1.86 0.02 2 16 30 3 GLU HG2 H 2.20 0.02 1 17 30 3 GLU HG3 H 2.20 0.02 1 18 30 3 GLU C C 173.73 0.05 1 19 30 3 GLU CA C 57.56 0.05 1 20 30 3 GLU CB C 29.40 0.05 1 21 30 3 GLU CG C 36.36 0.05 1 22 30 3 GLU N N 118.79 0.05 1 23 31 4 ASP H H 7.94 0.02 1 24 31 4 ASP HA H 4.56 0.02 1 25 31 4 ASP HB2 H 2.62 0.02 1 26 31 4 ASP HB3 H 2.62 0.02 1 27 31 4 ASP C C 173.60 0.05 1 28 31 4 ASP CA C 54.94 0.05 1 29 31 4 ASP CB C 41.65 0.05 1 30 31 4 ASP N N 119.92 0.05 1 31 32 5 THR H H 7.81 0.02 1 32 32 5 THR HA H 4.16 0.02 1 33 32 5 THR HB H 4.09 0.02 1 34 32 5 THR HG2 H 1.10 0.02 1 35 32 5 THR C C 171.63 0.05 1 36 32 5 THR CA C 62.41 0.05 1 37 32 5 THR CB C 70.04 0.05 1 38 32 5 THR CG2 C 21.87 0.05 1 39 32 5 THR N N 113.57 0.05 1 40 33 6 LEU H H 8.10 0.02 1 41 33 6 LEU HA H 4.49 0.02 1 42 33 6 LEU HB2 H 1.49 0.02 1 43 33 6 LEU HB3 H 1.41 0.02 1 44 33 6 LEU HD1 H 0.76 0.02 1 45 33 6 LEU HD2 H 0.76 0.02 1 46 33 6 LEU HG H 1.55 0.02 1 47 33 6 LEU C C 172.44 0.05 1 48 33 6 LEU CA C 53.43 0.05 1 49 33 6 LEU CB C 41.90 0.05 1 50 33 6 LEU CD1 C 25.40 0.05 1 51 33 6 LEU CD2 C 23.46 0.05 1 52 33 6 LEU CG C 27.15 0.05 1 53 33 6 LEU N N 125.79 0.05 1 54 34 7 PRO HA H 4.13 0.02 1 55 34 7 PRO HB2 H 1.70 0.02 1 56 34 7 PRO HB3 H 1.99 0.02 1 57 34 7 PRO HD2 H 3.53 0.02 1 58 34 7 PRO HD3 H 3.72 0.02 1 59 34 7 PRO HG2 H 1.90 0.02 1 60 34 7 PRO HG3 H 1.90 0.02 1 61 34 7 PRO CA C 63.66 0.05 1 62 34 7 PRO CB C 31.97 0.05 1 63 34 7 PRO CD C 50.55 0.05 1 64 34 7 PRO CG C 27.62 0.05 1 65 35 8 PHE H H 7.61 0.02 1 66 35 8 PHE HA H 4.58 0.02 1 67 35 8 PHE HB2 H 2.93 0.02 2 68 35 8 PHE HB3 H 2.89 0.02 2 69 35 8 PHE HD1 H 7.13 0.02 1 70 35 8 PHE HD2 H 7.13 0.02 1 71 35 8 PHE C C 171.11 0.05 1 72 35 8 PHE CA C 57.69 0.05 1 73 35 8 PHE CB C 40.85 0.05 1 74 35 8 PHE N N 117.67 0.05 1 75 36 9 LEU H H 8.31 0.02 1 76 36 9 LEU HA H 4.42 0.02 1 77 36 9 LEU HB2 H 0.90 0.02 1 78 36 9 LEU HB3 H 1.35 0.02 1 79 36 9 LEU HD1 H 0.56 0.02 1 80 36 9 LEU HD2 H 0.59 0.02 1 81 36 9 LEU HG H 1.20 0.02 1 82 36 9 LEU C C 171.05 0.05 1 83 36 9 LEU CA C 54.77 0.05 1 84 36 9 LEU CB C 44.23 0.05 1 85 36 9 LEU CD1 C 23.74 0.05 1 86 36 9 LEU CD2 C 26.81 0.05 1 87 36 9 LEU CG C 26.73 0.05 1 88 36 9 LEU N N 125.15 0.05 1 89 37 10 LYS H H 8.13 0.02 1 90 37 10 LYS HA H 5.11 0.02 1 91 37 10 LYS HB2 H 1.50 0.02 1 92 37 10 LYS HB3 H 1.50 0.02 1 93 37 10 LYS HD2 H 1.53 0.02 1 94 37 10 LYS HD3 H 1.53 0.02 1 95 37 10 LYS HE2 H 2.80 0.02 1 96 37 10 LYS HE3 H 2.80 0.02 1 97 37 10 LYS HG2 H 1.29 0.02 2 98 37 10 LYS HG3 H 1.19 0.02 2 99 37 10 LYS C C 172.47 0.05 1 100 37 10 LYS CA C 54.73 0.05 1 101 37 10 LYS CB C 35.01 0.05 1 102 37 10 LYS CD C 29.77 0.05 1 103 37 10 LYS CE C 42.13 0.05 1 104 37 10 LYS CG C 25.61 0.05 1 105 37 10 LYS N N 123.55 0.05 1 106 38 11 CYS H H 9.24 0.02 1 107 38 11 CYS HA H 4.89 0.02 1 108 38 11 CYS HB2 H 2.94 0.02 2 109 38 11 CYS HB3 H 2.88 0.02 2 110 38 11 CYS C C 171.75 0.05 1 111 38 11 CYS CA C 51.95 0.05 1 112 38 11 CYS CB C 41.36 0.05 1 113 38 11 CYS N N 121.58 0.05 1 114 39 12 TYR H H 8.83 0.02 1 115 39 12 TYR HA H 4.78 0.02 1 116 39 12 TYR HB2 H 2.52 0.02 1 117 39 12 TYR HB3 H 2.32 0.02 1 118 39 12 TYR HD1 H 6.87 0.02 1 119 39 12 TYR HD2 H 6.87 0.02 1 120 39 12 TYR HE1 H 6.66 0.02 1 121 39 12 TYR HE2 H 6.66 0.02 1 122 39 12 TYR C C 172.26 0.05 1 123 39 12 TYR CA C 58.50 0.05 1 124 39 12 TYR CB C 40.90 0.05 1 125 39 12 TYR N N 122.39 0.05 1 126 40 13 CYS H H 7.69 0.02 1 127 40 13 CYS HA H 4.42 0.02 1 128 40 13 CYS HB2 H 2.72 0.02 1 129 40 13 CYS HB3 H 2.72 0.02 1 130 40 13 CYS CA C 53.85 0.05 1 131 40 13 CYS CB C 48.92 0.05 1 132 41 14 SER H H 7.85 0.02 1 133 41 14 SER HA H 4.16 0.02 1 134 41 14 SER HB2 H 3.68 0.02 1 135 41 14 SER HB3 H 3.68 0.02 1 136 41 14 SER CA C 58.45 0.05 1 137 41 14 SER CB C 63.84 0.05 1 138 41 14 SER N N 117.02 0.05 1 139 43 16 HIS HA H 4.88 0.02 1 140 43 16 HIS HB2 H 3.45 0.02 2 141 43 16 HIS HB3 H 2.80 0.02 2 142 43 16 HIS CA C 54.77 0.05 1 143 43 16 HIS CB C 29.49 0.05 1 144 44 17 CYS H H 8.56 0.02 1 145 45 18 PRO HA H 4.66 0.02 1 146 45 18 PRO HB2 H 2.22 0.02 1 147 45 18 PRO HB3 H 2.41 0.02 1 148 45 18 PRO HG2 H 1.97 0.02 2 149 45 18 PRO HG3 H 2.25 0.02 2 150 45 18 PRO CA C 62.50 0.05 1 151 45 18 PRO CB C 33.14 0.05 1 152 45 18 PRO CD C 50.23 0.05 1 153 45 18 PRO CG C 27.65 0.05 1 154 46 19 ASP H H 8.80 0.02 1 155 46 19 ASP HA H 4.25 0.02 1 156 46 19 ASP HB2 H 2.67 0.02 2 157 46 19 ASP HB3 H 2.62 0.02 2 158 46 19 ASP C C 173.43 0.05 1 159 46 19 ASP CA C 57.19 0.05 1 160 46 19 ASP CB C 40.72 0.05 1 161 46 19 ASP N N 120.17 0.05 1 162 47 20 ASP H H 8.05 0.02 1 163 47 20 ASP HA H 4.51 0.02 1 164 47 20 ASP HB2 H 2.90 0.02 1 165 47 20 ASP HB3 H 2.48 0.02 1 166 47 20 ASP C C 173.50 0.05 1 167 47 20 ASP CA C 52.84 0.05 1 168 47 20 ASP CB C 39.98 0.05 1 169 47 20 ASP N N 114.67 0.05 1 170 48 21 ALA H H 7.35 0.02 1 171 48 21 ALA HA H 4.28 0.02 1 172 48 21 ALA HB H 1.26 0.02 1 173 48 21 ALA C C 174.49 0.05 1 174 48 21 ALA CA C 53.43 0.05 1 175 48 21 ALA CB C 20.87 0.05 1 176 48 21 ALA N N 122.66 0.05 1 177 49 22 ILE H H 7.96 0.02 1 178 49 22 ILE HA H 4.24 0.02 1 179 49 22 ILE HB H 1.62 0.02 1 180 49 22 ILE HD1 H 0.74 0.02 1 181 49 22 ILE HG13 H 0.97 0.02 2 182 49 22 ILE HG2 H 0.77 0.02 1 183 49 22 ILE C C 173.30 0.05 1 184 49 22 ILE CA C 60.23 0.05 1 185 49 22 ILE CB C 40.28 0.05 1 186 49 22 ILE CD1 C 12.88 0.05 1 187 49 22 ILE CG1 C 27.20 0.05 1 188 49 22 ILE CG2 C 17.36 0.05 1 189 49 22 ILE N N 119.55 0.05 1 190 50 23 ASN H H 9.28 0.02 1 191 50 23 ASN HA H 4.29 0.02 1 192 50 23 ASN HB2 H 2.91 0.02 2 193 50 23 ASN HB3 H 2.71 0.02 2 194 50 23 ASN HD21 H 6.82 0.02 2 195 50 23 ASN HD22 H 7.53 0.02 2 196 50 23 ASN CA C 54.66 0.05 1 197 50 23 ASN CB C 37.62 0.05 1 198 50 23 ASN N N 125.47 0.05 1 199 50 23 ASN ND2 N 112.50 0.05 1 200 51 24 ASN H H 8.85 0.02 1 201 51 24 ASN HA H 4.07 0.02 1 202 51 24 ASN HB2 H 3.06 0.02 2 203 51 24 ASN HB3 H 2.79 0.02 2 204 51 24 ASN HD21 H 7.61 0.02 2 205 51 24 ASN HD22 H 8.55 0.02 2 206 51 24 ASN C C 170.66 0.05 1 207 51 24 ASN CA C 56.08 0.05 1 208 51 24 ASN CB C 37.43 0.05 1 209 51 24 ASN ND2 N 116.80 0.05 1 210 52 25 THR H H 7.19 0.02 1 211 52 25 THR HA H 5.37 0.02 1 212 52 25 THR HB H 3.89 0.02 1 213 52 25 THR HG2 H 1.02 0.02 1 214 52 25 THR C C 169.91 0.05 1 215 52 25 THR CA C 59.89 0.05 1 216 52 25 THR CB C 73.94 0.05 1 217 52 25 THR CG2 C 22.12 0.05 1 218 52 25 THR N N 105.82 0.05 1 219 53 26 CYS H H 8.96 0.02 1 220 53 26 CYS HA H 5.00 0.02 1 221 53 26 CYS HB2 H 3.59 0.02 1 222 53 26 CYS HB3 H 2.57 0.02 1 223 53 26 CYS C C 168.78 0.05 1 224 53 26 CYS CA C 52.56 0.05 1 225 53 26 CYS CB C 48.65 0.05 1 226 53 26 CYS N N 116.07 0.05 1 227 54 27 ILE H H 8.53 0.02 1 228 54 27 ILE HA H 5.21 0.02 1 229 54 27 ILE HB H 1.52 0.02 1 230 54 27 ILE HD1 H 0.63 0.02 1 231 54 27 ILE HG12 H 1.33 0.02 1 232 54 27 ILE HG13 H 0.94 0.02 1 233 54 27 ILE HG2 H 0.67 0.02 1 234 54 27 ILE C C 173.40 0.05 1 235 54 27 ILE CA C 59.20 0.05 1 236 54 27 ILE CB C 40.22 0.05 1 237 54 27 ILE CD1 C 13.05 0.05 1 238 54 27 ILE CG1 C 27.40 0.05 1 239 54 27 ILE CG2 C 17.94 0.05 1 240 54 27 ILE N N 120.17 0.05 1 241 55 28 THR H H 9.20 0.02 1 242 55 28 THR HA H 4.80 0.02 1 243 55 28 THR HB H 3.73 0.02 1 244 55 28 THR HG2 H 0.83 0.02 1 245 55 28 THR C C 168.37 0.05 1 246 55 28 THR CA C 60.06 0.05 1 247 55 28 THR CB C 70.49 0.05 1 248 55 28 THR CG2 C 19.62 0.05 1 249 55 28 THR N N 120.75 0.05 1 250 56 29 ASN H H 8.00 0.02 1 251 56 29 ASN HA H 4.92 0.02 1 252 56 29 ASN HB2 H 2.37 0.02 1 253 56 29 ASN HB3 H 2.90 0.02 1 254 56 29 ASN HD21 H 6.93 0.02 2 255 56 29 ASN HD22 H 7.44 0.02 2 256 56 29 ASN C C 172.88 0.05 1 257 56 29 ASN CA C 52.62 0.05 1 258 56 29 ASN CB C 38.92 0.05 1 259 56 29 ASN N N 120.88 0.05 1 260 56 29 ASN ND2 N 110.61 0.05 1 261 57 30 GLY H H 8.51 0.02 1 262 57 30 GLY HA2 H 4.14 0.02 1 263 57 30 GLY HA3 H 3.96 0.02 1 264 57 30 GLY C C 169.02 0.05 1 265 57 30 GLY CA C 45.80 0.05 1 266 57 30 GLY N N 111.38 0.05 1 267 58 31 HIS H H 8.56 0.02 1 268 58 31 HIS HA H 4.71 0.02 1 269 58 31 HIS HB2 H 2.79 0.02 1 270 58 31 HIS HB3 H 3.25 0.02 1 271 58 31 HIS C C 171.20 0.05 1 272 58 31 HIS CA C 56.14 0.05 1 273 58 31 HIS CB C 34.65 0.05 1 274 58 31 HIS N N 120.87 0.05 1 275 59 32 CYS H H 8.71 0.02 1 276 59 32 CYS HA H 5.70 0.02 1 277 59 32 CYS HB2 H 2.96 0.02 1 278 59 32 CYS HB3 H 3.06 0.02 1 279 59 32 CYS C C 173.47 0.05 1 280 59 32 CYS CA C 52.34 0.05 1 281 59 32 CYS CB C 36.95 0.05 1 282 59 32 CYS N N 117.29 0.05 1 283 60 33 PHE H H 8.70 0.02 1 284 60 33 PHE HA H 6.11 0.02 1 285 60 33 PHE HB2 H 2.99 0.02 2 286 60 33 PHE HB3 H 2.89 0.02 2 287 60 33 PHE HD1 H 6.69 0.02 1 288 60 33 PHE HD2 H 6.69 0.02 1 289 60 33 PHE HE1 H 6.93 0.02 1 290 60 33 PHE HE2 H 6.93 0.02 1 291 60 33 PHE HZ H 6.80 0.02 1 292 60 33 PHE C C 172.20 0.05 1 293 60 33 PHE CA C 56.63 0.05 1 294 60 33 PHE CB C 44.83 0.05 1 295 60 33 PHE N N 116.07 0.05 1 296 61 34 ALA H H 9.20 0.02 1 297 61 34 ALA HA H 5.00 0.02 1 298 61 34 ALA HB H 1.31 0.02 1 299 61 34 ALA C C 171.61 0.05 1 300 61 34 ALA CA C 52.32 0.05 1 301 61 34 ALA CB C 23.95 0.05 1 302 61 34 ALA N N 125.17 0.05 1 303 62 35 ILE H H 9.47 0.02 1 304 62 35 ILE HA H 5.35 0.02 1 305 62 35 ILE HB H 1.61 0.02 1 306 62 35 ILE HD1 H 0.62 0.02 1 307 62 35 ILE HG12 H 1.53 0.02 2 308 62 35 ILE HG13 H 0.83 0.02 2 309 62 35 ILE HG2 H 0.89 0.02 1 310 62 35 ILE C C 170.85 0.05 1 311 62 35 ILE CA C 59.26 0.05 1 312 62 35 ILE CB C 43.66 0.05 1 313 62 35 ILE CD1 C 14.67 0.05 1 314 62 35 ILE CG1 C 28.92 0.05 1 315 62 35 ILE CG2 C 17.22 0.05 1 316 62 35 ILE N N 120.63 0.05 1 317 63 36 ILE H H 8.50 0.02 1 318 63 36 ILE HA H 5.24 0.02 1 319 63 36 ILE HB H 1.50 0.02 1 320 63 36 ILE HD1 H 0.80 0.02 1 321 63 36 ILE HG12 H 0.81 0.02 1 322 63 36 ILE HG13 H 1.46 0.02 1 323 63 36 ILE HG2 H 0.73 0.02 1 324 63 36 ILE C C 170.51 0.05 1 325 63 36 ILE CA C 59.13 0.05 1 326 63 36 ILE CB C 41.67 0.05 1 327 63 36 ILE CD1 C 14.38 0.05 1 328 63 36 ILE CG1 C 29.18 0.05 1 329 63 36 ILE CG2 C 17.00 0.05 1 330 63 36 ILE N N 125.83 0.05 1 331 64 37 GLU H H 8.45 0.02 1 332 64 37 GLU HA H 5.01 0.02 1 333 64 37 GLU HB2 H 1.84 0.02 1 334 64 37 GLU HB3 H 1.88 0.02 1 335 64 37 GLU HG2 H 2.05 0.02 2 336 64 37 GLU HG3 H 2.02 0.02 2 337 64 37 GLU C C 171.41 0.05 1 338 64 37 GLU CA C 54.83 0.05 1 339 64 37 GLU CB C 34.32 0.05 1 340 64 37 GLU CG C 36.76 0.05 1 341 64 37 GLU N N 124.57 0.05 1 342 65 38 GLU H H 8.30 0.02 1 343 65 38 GLU HA H 5.04 0.02 1 344 65 38 GLU HB2 H 1.76 0.02 1 345 65 38 GLU HB3 H 1.97 0.02 1 346 65 38 GLU HG2 H 1.91 0.02 1 347 65 38 GLU HG3 H 2.42 0.02 1 348 65 38 GLU C C 172.92 0.05 1 349 65 38 GLU CA C 54.76 0.05 1 350 65 38 GLU CB C 33.47 0.05 1 351 65 38 GLU CG C 36.52 0.05 1 352 65 38 GLU N N 123.96 0.05 1 353 66 39 ASP H H 8.47 0.02 1 354 66 39 ASP HA H 4.75 0.02 1 355 66 39 ASP HB2 H 3.21 0.02 1 356 66 39 ASP HB3 H 2.64 0.02 1 357 66 39 ASP C C 174.94 0.05 1 358 66 39 ASP CA C 52.89 0.05 1 359 66 39 ASP CB C 41.99 0.05 1 360 66 39 ASP N N 124.87 0.05 1 361 67 40 ASP H H 8.38 0.02 1 362 67 40 ASP HA H 4.31 0.02 1 363 67 40 ASP HB2 H 2.64 0.02 1 364 67 40 ASP HB3 H 2.64 0.02 1 365 67 40 ASP C C 174.21 0.05 1 366 67 40 ASP CA C 56.35 0.05 1 367 67 40 ASP CB C 40.51 0.05 1 368 67 40 ASP N N 116.22 0.05 1 369 68 41 GLN H H 8.20 0.02 1 370 68 41 GLN HA H 4.38 0.02 1 371 68 41 GLN HB2 H 2.06 0.02 1 372 68 41 GLN HB3 H 2.28 0.02 1 373 68 41 GLN HE21 H 6.70 0.02 2 374 68 41 GLN HE22 H 7.51 0.02 2 375 68 41 GLN HG2 H 2.28 0.02 1 376 68 41 GLN HG3 H 2.28 0.02 1 377 68 41 GLN C C 173.74 0.05 1 378 68 41 GLN CA C 55.59 0.05 1 379 68 41 GLN CB C 29.78 0.05 1 380 68 41 GLN CG C 34.70 0.05 1 381 68 41 GLN N N 117.19 0.05 1 382 68 41 GLN NE2 N 112.70 0.05 1 383 69 42 GLY H H 8.00 0.02 1 384 69 42 GLY HA2 H 3.63 0.02 1 385 69 42 GLY HA3 H 4.14 0.02 1 386 69 42 GLY C C 171.65 0.05 1 387 69 42 GLY CA C 45.73 0.05 1 388 69 42 GLY N N 108.13 0.05 1 389 70 43 GLU H H 8.41 0.02 1 390 70 43 GLU HA H 4.45 0.02 1 391 70 43 GLU HB2 H 2.03 0.02 2 392 70 43 GLU HB3 H 1.99 0.02 2 393 70 43 GLU HG2 H 2.22 0.02 2 394 70 43 GLU HG3 H 2.07 0.02 2 395 70 43 GLU C C 173.97 0.05 1 396 70 43 GLU CA C 56.02 0.05 1 397 70 43 GLU CB C 30.30 0.05 1 398 70 43 GLU CG C 36.43 0.05 1 399 70 43 GLU N N 122.30 0.05 1 400 71 44 THR H H 8.62 0.02 1 401 71 44 THR HA H 5.21 0.02 1 402 71 44 THR HB H 3.91 0.02 1 403 71 44 THR HG2 H 1.04 0.02 1 404 71 44 THR C C 172.16 0.05 1 405 71 44 THR CA C 61.60 0.05 1 406 71 44 THR CB C 71.00 0.05 1 407 71 44 THR CG2 C 22.35 0.05 1 408 71 44 THR N N 117.33 0.05 1 409 72 45 THR H H 8.76 0.02 1 410 72 45 THR HA H 4.50 0.02 1 411 72 45 THR HB H 3.96 0.02 1 412 72 45 THR HG2 H 1.09 0.02 1 413 72 45 THR C C 169.60 0.05 1 414 72 45 THR CA C 61.27 0.05 1 415 72 45 THR CB C 72.32 0.05 1 416 72 45 THR CG2 C 21.83 0.05 1 417 72 45 THR N N 117.84 0.05 1 418 73 46 LEU H H 8.40 0.02 1 419 73 46 LEU HA H 5.25 0.02 1 420 73 46 LEU HB2 H 1.42 0.02 1 421 73 46 LEU HB3 H 1.65 0.02 1 422 73 46 LEU HD2 H 0.85 0.02 2 423 73 46 LEU HG H 1.52 0.02 1 424 73 46 LEU C C 173.15 0.05 1 425 73 46 LEU CA C 54.30 0.05 1 426 73 46 LEU CB C 44.86 0.05 1 427 73 46 LEU CD1 C 25.40 0.05 2 428 73 46 LEU CD2 C 25.00 0.05 2 429 73 46 LEU CG C 28.05 0.05 1 430 73 46 LEU N N 126.02 0.05 1 431 74 47 ALA HA H 4.76 0.02 1 432 74 47 ALA HB H 1.44 0.02 1 433 74 47 ALA C C 172.74 0.05 1 434 74 47 ALA CA C 51.44 0.05 1 435 74 47 ALA CB C 23.35 0.05 1 436 75 48 SER H H 8.70 0.02 1 437 75 48 SER HA H 4.50 0.02 1 438 75 48 SER HB2 H 3.58 0.02 1 439 75 48 SER HB3 H 3.86 0.02 1 440 75 48 SER C C 171.59 0.05 1 441 75 48 SER CA C 57.74 0.05 1 442 75 48 SER CB C 65.70 0.05 1 443 75 48 SER N N 111.40 0.05 1 444 76 49 GLY H H 6.44 0.02 1 445 76 49 GLY HA2 H 3.85 0.02 1 446 76 49 GLY HA3 H 3.73 0.02 1 447 76 49 GLY C C 167.89 0.05 1 448 76 49 GLY CA C 47.42 0.05 1 449 76 49 GLY N N 105.48 0.05 1 450 77 50 CYS H H 8.74 0.02 1 451 77 50 CYS HA H 4.95 0.02 1 452 77 50 CYS HB2 H 3.08 0.02 1 453 77 50 CYS HB3 H 2.77 0.02 1 454 77 50 CYS C C 170.67 0.05 1 455 77 50 CYS CA C 60.03 0.05 1 456 77 50 CYS CB C 46.10 0.05 1 457 77 50 CYS N N 118.96 0.05 1 458 78 51 MET H H 9.24 0.02 1 459 78 51 MET HA H 4.76 0.02 1 460 78 51 MET HB2 H 1.68 0.02 1 461 78 51 MET HB3 H 1.88 0.02 1 462 78 51 MET HE H 1.48 0.02 1 463 78 51 MET HG2 H 2.38 0.02 1 464 78 51 MET HG3 H 2.38 0.02 1 465 78 51 MET C C 171.99 0.05 1 466 78 51 MET CA C 54.63 0.05 1 467 78 51 MET CB C 35.81 0.05 1 468 78 51 MET CE C 16.96 0.05 1 469 78 51 MET CG C 31.84 0.05 1 470 78 51 MET N N 122.34 0.05 1 471 79 52 LYS H H 8.43 0.02 1 472 79 52 LYS HA H 4.16 0.02 1 473 79 52 LYS HB2 H 1.81 0.02 1 474 79 52 LYS HB3 H 1.81 0.02 1 475 79 52 LYS HD2 H 1.66 0.02 1 476 79 52 LYS HD3 H 1.66 0.02 1 477 79 52 LYS HE2 H 2.96 0.02 1 478 79 52 LYS HE3 H 2.96 0.02 1 479 79 52 LYS HG2 H 1.42 0.02 1 480 79 52 LYS HG3 H 1.42 0.02 1 481 79 52 LYS C C 173.04 0.05 1 482 79 52 LYS CA C 57.12 0.05 1 483 79 52 LYS CB C 33.72 0.05 1 484 79 52 LYS CD C 29.74 0.05 1 485 79 52 LYS CE C 42.45 0.05 1 486 79 52 LYS CG C 24.75 0.05 1 487 79 52 LYS N N 125.03 0.05 1 488 80 53 TYR H H 8.40 0.02 1 489 80 53 TYR HA H 4.20 0.02 1 490 80 53 TYR HB2 H 2.72 0.02 1 491 80 53 TYR HB3 H 2.72 0.02 1 492 80 53 TYR C C 173.37 0.05 1 493 80 53 TYR CA C 59.91 0.05 1 494 80 53 TYR CB C 39.00 0.05 1 495 80 53 TYR N N 121.42 0.05 1 496 81 54 GLU H H 8.49 0.02 1 497 81 54 GLU HA H 4.17 0.02 1 498 81 54 GLU HB2 H 1.94 0.02 2 499 81 54 GLU HB3 H 1.72 0.02 2 500 81 54 GLU HG3 H 2.06 0.02 2 501 81 54 GLU C C 173.24 0.05 1 502 81 54 GLU CA C 56.44 0.05 1 503 81 54 GLU CB C 30.86 0.05 1 504 81 54 GLU CG C 36.21 0.05 1 505 81 54 GLU N N 123.79 0.05 1 506 82 55 GLY H H 7.20 0.02 1 507 82 55 GLY HA2 H 4.05 0.02 2 508 82 55 GLY HA3 H 3.69 0.02 2 509 82 55 GLY C C 171.52 0.05 1 510 82 55 GLY CA C 45.68 0.05 1 511 82 55 GLY N N 108.40 0.05 1 512 83 56 SER H H 8.14 0.02 1 513 83 56 SER HA H 4.28 0.02 1 514 83 56 SER HB2 H 3.78 0.02 1 515 83 56 SER HB3 H 3.78 0.02 1 516 83 56 SER C C 171.90 0.05 1 517 83 56 SER CA C 59.27 0.05 1 518 83 56 SER CB C 63.96 0.05 1 519 83 56 SER N N 114.65 0.05 1 520 84 57 ASP H H 8.34 0.02 1 521 84 57 ASP HA H 4.43 0.02 1 522 84 57 ASP HB2 H 2.48 0.02 2 523 84 57 ASP HB3 H 2.41 0.02 2 524 84 57 ASP C C 173.10 0.05 1 525 84 57 ASP CA C 54.95 0.05 1 526 84 57 ASP CB C 40.84 0.05 1 527 84 57 ASP N N 121.23 0.05 1 528 85 58 PHE H H 7.73 0.02 1 529 85 58 PHE HA H 4.26 0.02 1 530 85 58 PHE HB2 H 2.78 0.02 1 531 85 58 PHE HB3 H 2.78 0.02 1 532 85 58 PHE HD1 H 6.90 0.02 1 533 85 58 PHE HD2 H 6.90 0.02 1 534 85 58 PHE HE1 H 7.00 0.02 1 535 85 58 PHE HE2 H 7.00 0.02 1 536 85 58 PHE HZ H 6.96 0.02 1 537 85 58 PHE C C 172.59 0.05 1 538 85 58 PHE CA C 58.52 0.05 1 539 85 58 PHE CB C 39.84 0.05 1 540 85 58 PHE N N 118.92 0.05 1 541 86 59 GLN H H 7.79 0.02 1 542 86 59 GLN HA H 4.07 0.02 1 543 86 59 GLN HB2 H 1.67 0.02 1 544 86 59 GLN HB3 H 1.84 0.02 1 545 86 59 GLN HE21 H 6.66 0.02 2 546 86 59 GLN HE22 H 7.37 0.02 2 547 86 59 GLN HG2 H 2.12 0.02 1 548 86 59 GLN HG3 H 2.12 0.02 1 549 86 59 GLN C C 172.55 0.05 1 550 86 59 GLN CA C 56.00 0.05 1 551 86 59 GLN CB C 30.60 0.05 1 552 86 59 GLN CG C 33.93 0.05 1 553 86 59 GLN N N 120.28 0.05 1 554 86 59 GLN NE2 N 111.94 0.05 1 555 87 60 CYS H H 8.10 0.02 1 556 87 60 CYS HA H 4.14 0.02 1 557 87 60 CYS HB2 H 2.94 0.02 2 558 87 60 CYS HB3 H 2.61 0.02 2 559 87 60 CYS C C 170.91 0.05 1 560 87 60 CYS CA C 56.81 0.05 1 561 87 60 CYS CB C 40.78 0.05 1 562 87 60 CYS N N 118.79 0.05 1 563 88 61 LYS H H 7.61 0.02 1 564 88 61 LYS HA H 4.28 0.02 1 565 88 61 LYS HB2 H 1.67 0.02 2 566 88 61 LYS HB3 H 1.56 0.02 2 567 88 61 LYS HD2 H 1.53 0.02 1 568 88 61 LYS HD3 H 1.53 0.02 1 569 88 61 LYS HE2 H 2.85 0.02 1 570 88 61 LYS HE3 H 2.85 0.02 1 571 88 61 LYS HG2 H 1.21 0.02 1 572 88 61 LYS HG3 H 1.21 0.02 1 573 88 61 LYS C C 172.33 0.05 1 574 88 61 LYS CA C 56.21 0.05 1 575 88 61 LYS CB C 34.21 0.05 1 576 88 61 LYS CD C 29.39 0.05 1 577 88 61 LYS CE C 42.31 0.05 1 578 88 61 LYS CG C 24.61 0.05 1 579 88 61 LYS N N 120.33 0.05 1 580 89 62 ASP H H 8.18 0.02 1 581 89 62 ASP HA H 4.50 0.02 1 582 89 62 ASP HB2 H 2.46 0.02 1 583 89 62 ASP HB3 H 2.46 0.02 1 584 89 62 ASP C C 172.97 0.05 1 585 89 62 ASP CA C 54.20 0.05 1 586 89 62 ASP CB C 42.09 0.05 1 587 89 62 ASP N N 121.19 0.05 1 588 90 63 SER H H 8.19 0.02 1 589 90 63 SER HA H 4.64 0.02 1 590 90 63 SER HB2 H 3.74 0.02 1 591 90 63 SER HB3 H 3.74 0.02 1 592 90 63 SER C C 170.24 0.05 1 593 90 63 SER CA C 56.60 0.05 1 594 90 63 SER CB C 63.77 0.05 1 595 90 63 SER N N 116.71 0.05 1 596 91 64 PRO HA H 4.35 0.02 1 597 91 64 PRO HB2 H 1.85 0.02 1 598 91 64 PRO HB3 H 2.21 0.02 1 599 91 64 PRO HD2 H 3.62 0.02 1 600 91 64 PRO HD3 H 3.69 0.02 1 601 91 64 PRO HG2 H 1.93 0.02 1 602 91 64 PRO HG3 H 1.93 0.02 1 603 91 64 PRO CA C 63.80 0.05 1 604 91 64 PRO CB C 32.41 0.05 1 605 91 64 PRO CD C 50.98 0.05 1 606 91 64 PRO CG C 27.62 0.05 1 607 92 65 LYS H H 8.24 0.02 1 608 92 65 LYS HA H 4.21 0.02 1 609 92 65 LYS HB2 H 1.77 0.02 2 610 92 65 LYS HB3 H 1.64 0.02 2 611 92 65 LYS HD2 H 1.58 0.02 1 612 92 65 LYS HD3 H 1.58 0.02 1 613 92 65 LYS HE2 H 2.89 0.02 1 614 92 65 LYS HE3 H 2.89 0.02 1 615 92 65 LYS HG2 H 1.33 0.02 1 616 92 65 LYS HG3 H 1.33 0.02 1 617 92 65 LYS C C 173.33 0.05 1 618 92 65 LYS CA C 56.41 0.05 1 619 92 65 LYS CB C 33.23 0.05 1 620 92 65 LYS CD C 29.31 0.05 1 621 92 65 LYS CE C 42.38 0.05 1 622 92 65 LYS CG C 25.08 0.05 1 623 92 65 LYS N N 120.18 0.05 1 624 93 66 ALA H H 8.04 0.02 1 625 93 66 ALA HA H 4.21 0.02 1 626 93 66 ALA HB H 1.33 0.02 1 627 93 66 ALA C C 174.58 0.05 1 628 93 66 ALA CA C 53.02 0.05 1 629 93 66 ALA CB C 19.76 0.05 1 630 93 66 ALA N N 124.05 0.05 1 631 94 67 GLN H H 8.32 0.02 1 632 94 67 GLN HA H 4.19 0.02 1 633 94 67 GLN HB2 H 1.93 0.02 1 634 94 67 GLN HB3 H 2.08 0.02 1 635 94 67 GLN HE21 H 6.78 0.02 2 636 94 67 GLN HE22 H 7.48 0.02 2 637 94 67 GLN HG2 H 2.27 0.02 1 638 94 67 GLN HG3 H 2.27 0.02 1 639 94 67 GLN C C 172.78 0.05 1 640 94 67 GLN CA C 56.75 0.05 1 641 94 67 GLN CB C 29.10 0.05 1 642 94 67 GLN CG C 34.28 0.05 1 643 94 67 GLN N N 117.93 0.05 1 644 94 67 GLN NE2 N 111.90 0.05 1 645 95 68 LEU H H 7.73 0.02 1 646 95 68 LEU HA H 4.36 0.02 1 647 95 68 LEU HB2 H 1.55 0.02 1 648 95 68 LEU HB3 H 1.55 0.02 1 649 95 68 LEU HD1 H 0.78 0.02 2 650 95 68 LEU HD2 H 0.81 0.02 2 651 95 68 LEU HG H 1.49 0.02 1 652 95 68 LEU C C 174.27 0.05 1 653 95 68 LEU CA C 54.97 0.05 1 654 95 68 LEU CB C 43.12 0.05 1 655 95 68 LEU CD1 C 23.59 0.05 2 656 95 68 LEU CD2 C 25.38 0.05 2 657 95 68 LEU CG C 27.30 0.05 1 658 95 68 LEU N N 120.47 0.05 1 659 96 69 ARG H H 8.60 0.02 1 660 96 69 ARG HA H 4.23 0.02 1 661 96 69 ARG HB2 H 1.79 0.02 1 662 96 69 ARG HB3 H 1.79 0.02 1 663 96 69 ARG HD2 H 3.12 0.02 2 664 96 69 ARG HD3 H 3.08 0.02 2 665 96 69 ARG HE H 7.15 0.02 1 666 96 69 ARG HG2 H 1.66 0.02 1 667 96 69 ARG HG3 H 1.66 0.02 1 668 96 69 ARG C C 171.70 0.05 1 669 96 69 ARG CA C 56.57 0.05 1 670 96 69 ARG CB C 30.66 0.05 1 671 96 69 ARG CD C 43.81 0.05 1 672 96 69 ARG CG C 27.32 0.05 1 673 96 69 ARG N N 121.67 0.05 1 674 96 69 ARG NE N 113.61 0.05 1 675 97 70 ARG H H 7.80 0.02 1 676 97 70 ARG HA H 5.17 0.02 1 677 97 70 ARG HB2 H 1.70 0.02 1 678 97 70 ARG HB3 H 1.70 0.02 1 679 97 70 ARG HD2 H 3.02 0.02 1 680 97 70 ARG HD3 H 3.02 0.02 1 681 97 70 ARG HE H 7.70 0.02 1 682 97 70 ARG HG2 H 1.43 0.02 1 683 97 70 ARG HG3 H 1.43 0.02 1 684 97 70 ARG C C 172.12 0.05 1 685 97 70 ARG CA C 55.26 0.05 1 686 97 70 ARG CB C 34.04 0.05 1 687 97 70 ARG CD C 44.44 0.05 1 688 97 70 ARG CG C 26.65 0.05 1 689 97 70 ARG N N 120.13 0.05 1 690 97 70 ARG NE N 114.16 0.05 1 691 98 71 THR H H 8.61 0.02 1 692 98 71 THR HA H 4.60 0.02 1 693 98 71 THR HB H 3.77 0.02 1 694 98 71 THR HG2 H 1.18 0.02 1 695 98 71 THR C C 169.25 0.05 1 696 98 71 THR CA C 62.03 0.05 1 697 98 71 THR CB C 71.97 0.05 1 698 98 71 THR CG2 C 23.33 0.05 1 699 98 71 THR N N 118.55 0.05 1 700 99 72 ILE H H 8.52 0.02 1 701 99 72 ILE HA H 5.08 0.02 1 702 99 72 ILE HB H 1.47 0.02 1 703 99 72 ILE HD1 H 0.44 0.02 1 704 99 72 ILE HG12 H 1.47 0.02 2 705 99 72 ILE HG13 H 0.88 0.02 2 706 99 72 ILE HG2 H 0.74 0.02 1 707 99 72 ILE C C 170.93 0.05 1 708 99 72 ILE CA C 59.37 0.05 1 709 99 72 ILE CB C 42.14 0.05 1 710 99 72 ILE CD1 C 14.41 0.05 1 711 99 72 ILE CG1 C 29.27 0.05 1 712 99 72 ILE CG2 C 16.72 0.05 1 713 99 72 ILE N N 125.23 0.05 1 714 100 73 GLU H H 8.86 0.02 1 715 100 73 GLU HA H 4.67 0.02 1 716 100 73 GLU HB2 H 1.68 0.02 1 717 100 73 GLU HB3 H 1.91 0.02 1 718 100 73 GLU HG2 H 2.14 0.02 1 719 100 73 GLU HG3 H 2.14 0.02 1 720 100 73 GLU C C 172.20 0.05 1 721 100 73 GLU CA C 55.84 0.05 1 722 100 73 GLU CB C 34.41 0.05 1 723 100 73 GLU CG C 36.54 0.05 1 724 100 73 GLU N N 125.68 0.05 1 725 101 74 CYS H H 8.83 0.02 1 726 101 74 CYS HA H 5.79 0.02 1 727 101 74 CYS HB2 H 3.05 0.02 1 728 101 74 CYS HB3 H 3.05 0.02 1 729 101 74 CYS C C 170.36 0.05 1 730 101 74 CYS CA C 55.01 0.05 1 731 101 74 CYS CB C 45.32 0.05 1 732 101 74 CYS N N 119.26 0.05 1 733 102 75 CYS H H 9.13 0.02 1 734 102 75 CYS HA H 5.00 0.02 1 735 102 75 CYS HB2 H 3.51 0.02 1 736 102 75 CYS HB3 H 3.40 0.02 1 737 102 75 CYS C C 170.67 0.05 1 738 102 75 CYS CA C 56.18 0.05 1 739 102 75 CYS CB C 46.09 0.05 1 740 102 75 CYS N N 116.46 0.05 1 741 103 76 ARG H H 9.24 0.02 1 742 103 76 ARG HA H 4.80 0.02 1 743 103 76 ARG HB2 H 2.06 0.02 2 744 103 76 ARG HB3 H 1.49 0.02 2 745 103 76 ARG HD2 H 3.03 0.02 2 746 103 76 ARG HD3 H 2.82 0.02 2 747 103 76 ARG HE H 6.90 0.02 1 748 103 76 ARG HG2 H 1.57 0.02 1 749 103 76 ARG HG3 H 1.57 0.02 1 750 103 76 ARG C C 172.12 0.05 1 751 103 76 ARG CA C 56.23 0.05 1 752 103 76 ARG CB C 32.61 0.05 1 753 103 76 ARG CD C 44.02 0.05 1 754 103 76 ARG CG C 29.76 0.05 1 755 103 76 ARG N N 122.52 0.05 1 756 103 76 ARG NE N 115.10 0.05 1 757 104 77 THR H H 7.44 0.02 1 758 104 77 THR HA H 4.60 0.02 1 759 104 77 THR HB H 4.26 0.02 1 760 104 77 THR HG2 H 1.12 0.02 1 761 104 77 THR C C 171.89 0.05 1 762 104 77 THR CA C 61.27 0.05 1 763 104 77 THR CB C 72.49 0.05 1 764 104 77 THR CG2 C 22.35 0.05 1 765 104 77 THR N N 109.73 0.05 1 766 105 78 ASN H H 8.59 0.02 1 767 105 78 ASN HA H 4.79 0.02 1 768 105 78 ASN HB2 H 2.56 0.02 1 769 105 78 ASN HB3 H 2.70 0.02 1 770 105 78 ASN HD21 H 6.99 0.02 2 771 105 78 ASN HD22 H 7.66 0.02 2 772 105 78 ASN C C 174.15 0.05 1 773 105 78 ASN CA C 55.87 0.05 1 774 105 78 ASN CB C 39.26 0.05 1 775 105 78 ASN N N 119.36 0.05 1 776 105 78 ASN ND2 N 113.19 0.05 1 777 106 79 LEU H H 9.98 0.02 1 778 106 79 LEU HA H 3.68 0.02 1 779 106 79 LEU HB2 H 1.92 0.02 2 780 106 79 LEU HB3 H 1.78 0.02 2 781 106 79 LEU HD1 H 0.83 0.02 1 782 106 79 LEU HD2 H 0.54 0.02 1 783 106 79 LEU HG H 1.38 0.02 1 784 106 79 LEU C C 175.05 0.05 1 785 106 79 LEU CA C 56.79 0.05 1 786 106 79 LEU CB C 38.92 0.05 1 787 106 79 LEU CD1 C 25.48 0.05 1 788 106 79 LEU CD2 C 22.71 0.05 1 789 106 79 LEU CG C 27.55 0.05 1 790 106 79 LEU N N 118.23 0.05 1 791 107 80 CYS H H 8.25 0.02 1 792 107 80 CYS HA H 4.32 0.02 1 793 107 80 CYS HB2 H 3.18 0.02 1 794 107 80 CYS HB3 H 4.02 0.02 1 795 107 80 CYS C C 172.47 0.05 1 796 107 80 CYS CA C 58.37 0.05 1 797 107 80 CYS CB C 46.09 0.05 1 798 107 80 CYS N N 115.46 0.05 1 799 108 81 ASN H H 8.59 0.02 1 800 108 81 ASN HA H 4.43 0.02 1 801 108 81 ASN HB2 H 2.27 0.02 1 802 108 81 ASN HB3 H 2.78 0.02 1 803 108 81 ASN HD21 H 6.79 0.02 2 804 108 81 ASN HD22 H 7.59 0.02 2 805 108 81 ASN C C 172.21 0.05 1 806 108 81 ASN CA C 53.32 0.05 1 807 108 81 ASN CB C 37.29 0.05 1 808 108 81 ASN N N 118.04 0.05 1 809 108 81 ASN ND2 N 111.10 0.05 1 810 109 82 GLN H H 7.49 0.02 1 811 109 82 GLN HA H 3.38 0.02 1 812 109 82 GLN HB2 H 1.57 0.02 1 813 109 82 GLN HB3 H 1.35 0.02 1 814 109 82 GLN HE21 H 6.36 0.02 2 815 109 82 GLN HE22 H 6.75 0.02 2 816 109 82 GLN HG2 H 1.03 0.02 2 817 109 82 GLN HG3 H 0.81 0.02 2 818 109 82 GLN C C 172.30 0.05 1 819 109 82 GLN CA C 58.94 0.05 1 820 109 82 GLN CB C 28.77 0.05 1 821 109 82 GLN CG C 32.30 0.05 1 822 109 82 GLN N N 121.35 0.05 1 823 109 82 GLN NE2 N 108.90 0.05 1 824 110 83 TYR H H 7.83 0.02 1 825 110 83 TYR HA H 4.59 0.02 1 826 110 83 TYR HB2 H 2.51 0.02 1 827 110 83 TYR HB3 H 3.24 0.02 1 828 110 83 TYR HD1 H 6.96 0.02 1 829 110 83 TYR HD2 H 6.96 0.02 1 830 110 83 TYR CA C 56.49 0.05 1 831 110 83 TYR CB C 38.40 0.05 1 832 110 83 TYR N N 114.60 0.05 1 833 111 84 LEU H H 6.61 0.02 1 834 111 84 LEU HA H 4.17 0.02 1 835 111 84 LEU HB2 H 1.46 0.02 2 836 111 84 LEU HB3 H 1.33 0.02 2 837 111 84 LEU HD1 H 0.70 0.02 2 838 111 84 LEU HD2 H 0.68 0.02 2 839 111 84 LEU C C 172.88 0.05 1 840 111 84 LEU CA C 55.25 0.05 1 841 111 84 LEU CB C 43.40 0.05 1 842 111 84 LEU CD1 C 23.31 0.05 2 843 111 84 LEU CD2 C 25.03 0.05 2 844 111 84 LEU CG C 27.54 0.05 1 845 111 84 LEU N N 120.14 0.05 1 846 112 85 GLN H H 8.78 0.02 1 847 112 85 GLN HA H 4.57 0.02 1 848 112 85 GLN HB2 H 1.92 0.02 1 849 112 85 GLN HB3 H 1.78 0.02 1 850 112 85 GLN HE21 H 6.65 0.02 2 851 112 85 GLN HE22 H 7.37 0.02 2 852 112 85 GLN HG2 H 2.14 0.02 1 853 112 85 GLN HG3 H 2.14 0.02 1 854 112 85 GLN C C 169.48 0.05 1 855 112 85 GLN CA C 53.11 0.05 1 856 112 85 GLN CB C 30.00 0.05 1 857 112 85 GLN CG C 33.85 0.05 1 858 112 85 GLN N N 122.79 0.05 1 859 112 85 GLN NE2 N 111.30 0.05 1 860 113 86 PRO HA H 4.40 0.02 1 861 113 86 PRO HB2 H 1.70 0.02 1 862 113 86 PRO HB3 H 2.13 0.02 1 863 113 86 PRO HD2 H 3.39 0.02 2 864 113 86 PRO HD3 H 3.29 0.02 2 865 113 86 PRO CA C 63.04 0.05 1 866 113 86 PRO CB C 32.40 0.05 1 867 113 86 PRO CD C 50.52 0.05 1 868 113 86 PRO CG C 27.56 0.05 1 869 114 87 THR H H 8.18 0.02 1 870 114 87 THR HA H 4.40 0.02 1 871 114 87 THR HB H 4.00 0.02 1 872 114 87 THR HG2 H 1.12 0.02 1 873 114 87 THR C C 172.18 0.05 1 874 114 87 THR CA C 60.96 0.05 1 875 114 87 THR CB C 71.29 0.05 1 876 114 87 THR CG2 C 21.89 0.05 1 877 114 87 THR N N 111.93 0.05 1 878 115 88 LEU H H 8.58 0.02 1 879 115 88 LEU HA H 4.30 0.02 1 880 115 88 LEU HB2 H 1.49 0.02 1 881 115 88 LEU HB3 H 1.23 0.02 1 882 115 88 LEU HD1 H 0.74 0.02 1 883 115 88 LEU HD2 H 0.67 0.02 1 884 115 88 LEU C C 171.74 0.05 1 885 115 88 LEU CA C 53.23 0.05 1 886 115 88 LEU CB C 41.90 0.05 1 887 115 88 LEU CD1 C 26.28 0.05 1 888 115 88 LEU CD2 C 24.56 0.05 1 889 115 88 LEU CG C 26.74 0.05 1 890 115 88 LEU N N 125.29 0.05 1 891 116 89 PRO HA H 4.63 0.02 1 892 116 89 PRO HB2 H 2.27 0.02 2 893 116 89 PRO HB3 H 1.85 0.02 2 894 116 89 PRO HD2 H 3.76 0.02 2 895 116 89 PRO HD3 H 3.30 0.02 2 896 116 89 PRO HG2 H 2.03 0.02 2 897 116 89 PRO HG3 H 1.95 0.02 2 898 116 89 PRO CA C 61.58 0.05 1 899 116 89 PRO CB C 30.98 0.05 1 900 116 89 PRO CD C 50.53 0.05 1 901 116 89 PRO CG C 27.55 0.05 1 902 117 90 PRO HA H 4.35 0.02 1 903 117 90 PRO HB2 H 1.77 0.02 1 904 117 90 PRO HB3 H 2.21 0.02 1 905 117 90 PRO CA C 63.01 0.05 1 906 117 90 PRO CB C 32.30 0.05 1 907 117 90 PRO CD C 50.53 0.05 1 908 117 90 PRO CG C 27.63 0.05 1 909 118 91 VAL H H 8.19 0.02 1 910 118 91 VAL HA H 3.90 0.02 1 911 118 91 VAL HB H 1.90 0.02 1 912 118 91 VAL HG1 H 0.80 0.02 2 913 118 91 VAL HG2 H 0.85 0.02 2 914 118 91 VAL C C 173.27 0.05 1 915 118 91 VAL CA C 62.89 0.05 1 916 118 91 VAL CB C 32.98 0.05 1 917 118 91 VAL CG2 C 21.08 0.05 2 918 118 91 VAL N N 120.46 0.05 1 919 119 92 VAL H H 8.18 0.02 1 920 119 92 VAL HA H 4.04 0.02 1 921 119 92 VAL HB H 1.91 0.02 1 922 119 92 VAL HG1 H 0.77 0.02 2 923 119 92 VAL HG2 H 0.81 0.02 2 924 119 92 VAL C C 172.96 0.05 1 925 119 92 VAL CA C 62.25 0.05 1 926 119 92 VAL CB C 33.28 0.05 1 927 119 92 VAL CG1 C 21.35 0.05 2 928 119 92 VAL N N 125.03 0.05 1 929 120 93 ILE H H 8.22 0.02 1 930 120 93 ILE HA H 4.11 0.02 1 931 120 93 ILE HB H 1.76 0.02 1 932 120 93 ILE HD1 H 0.76 0.02 1 933 120 93 ILE C C 173.44 0.05 1 934 120 93 ILE CA C 61.05 0.05 1 935 120 93 ILE CB C 39.03 0.05 1 936 120 93 ILE CD1 C 12.82 0.05 1 937 120 93 ILE CG1 C 27.36 0.05 1 938 120 93 ILE CG2 C 17.69 0.05 1 939 120 93 ILE N N 125.69 0.05 1 940 121 94 GLY H H 8.19 0.02 1 941 121 94 GLY HA2 H 4.05 0.02 2 942 121 94 GLY HA3 H 3.94 0.02 2 943 121 94 GLY C C 169.08 0.05 1 944 121 94 GLY CA C 44.85 0.05 1 945 121 94 GLY N N 113.15 0.05 1 946 122 95 PRO HA H 4.27 0.02 1 947 122 95 PRO HB2 H 1.63 0.02 1 948 122 95 PRO HB3 H 2.09 0.02 1 949 122 95 PRO HD3 H 3.47 0.02 2 950 122 95 PRO CA C 63.34 0.05 1 951 122 95 PRO CB C 32.16 0.05 1 952 122 95 PRO CD C 49.93 0.05 1 953 122 95 PRO CG C 27.27 0.05 1 954 123 96 PHE H H 8.14 0.02 1 955 123 96 PHE HA H 4.51 0.02 1 956 123 96 PHE HB2 H 2.89 0.02 1 957 123 96 PHE HB3 H 2.89 0.02 1 958 123 96 PHE C C 172.70 0.05 1 959 123 96 PHE CA C 58.04 0.05 1 960 123 96 PHE CB C 39.71 0.05 1 961 123 96 PHE N N 119.41 0.05 1 962 124 97 PHE H H 8.00 0.02 1 963 124 97 PHE HA H 4.49 0.02 1 964 124 97 PHE HB2 H 2.97 0.02 1 965 124 97 PHE HB3 H 2.97 0.02 1 966 124 97 PHE C C 172.14 0.05 1 967 124 97 PHE CA C 58.00 0.05 1 968 124 97 PHE CB C 40.14 0.05 1 969 124 97 PHE N N 122.18 0.05 1 970 125 98 ASP H H 8.10 0.02 1 971 125 98 ASP HA H 4.40 0.02 1 972 125 98 ASP HB2 H 2.55 0.02 2 973 125 98 ASP HB3 H 2.63 0.02 2 974 125 98 ASP C C 173.87 0.05 1 975 125 98 ASP CA C 54.47 0.05 1 976 125 98 ASP CB C 41.39 0.05 1 977 125 98 ASP N N 123.00 0.05 1 978 126 99 GLY H H 8.01 0.02 1 979 126 99 GLY HA3 H 3.86 0.02 2 980 126 99 GLY C C 171.64 0.05 1 981 126 99 GLY CA C 45.86 0.05 1 982 126 99 GLY N N 109.28 0.05 1 983 127 100 SER H H 8.11 0.02 1 984 127 100 SER HA H 4.32 0.02 1 985 127 100 SER HB2 H 3.76 0.02 1 986 127 100 SER HB3 H 3.76 0.02 1 987 127 100 SER C C 171.52 0.05 1 988 127 100 SER CA C 59.19 0.05 1 989 127 100 SER CB C 64.24 0.05 1 990 127 100 SER N N 115.76 0.05 1 991 128 101 ILE H H 7.96 0.02 1 992 128 101 ILE HA H 4.11 0.02 1 993 128 101 ILE HB H 1.79 0.02 1 994 128 101 ILE HD1 H 0.77 0.02 1 995 128 101 ILE HG12 H 1.39 0.02 2 996 128 101 ILE HG13 H 1.09 0.02 2 997 128 101 ILE HG2 H 0.82 0.02 1 998 128 101 ILE C C 172.59 0.05 1 999 128 101 ILE CA C 61.80 0.05 1 1000 128 101 ILE CB C 38.82 0.05 1 1001 128 101 ILE CD1 C 13.15 0.05 1 1002 128 101 ILE CG1 C 27.42 0.05 1 1003 128 101 ILE CG2 C 17.71 0.05 1 1004 128 101 ILE N N 122.05 0.05 1 1005 129 102 ARG H H 7.85 0.02 1 1006 129 102 ARG HA H 4.12 0.02 1 1007 129 102 ARG HB2 H 1.73 0.02 2 1008 129 102 ARG HB3 H 1.60 0.02 2 1009 129 102 ARG HD2 H 3.05 0.02 1 1010 129 102 ARG HD3 H 3.05 0.02 1 1011 129 102 ARG HE H 7.07 0.02 1 1012 129 102 ARG HG2 H 1.46 0.02 1 1013 129 102 ARG HG3 H 1.46 0.02 1 1014 129 102 ARG C C 178.04 0.05 1 1015 129 102 ARG CA C 57.54 0.05 1 1016 129 102 ARG CB C 32.10 0.05 1 1017 129 102 ARG CD C 43.67 0.05 1 1018 129 102 ARG CG C 27.34 0.05 1 1019 129 102 ARG N N 130.07 0.05 1 1020 129 102 ARG NE N 114.78 0.05 1 stop_ save_