data_18843 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N assignments of the four N-terminal domains of human fibrillin-1 ; _BMRB_accession_number 18843 _BMRB_flat_file_name bmr18843.str _Entry_type original _Submission_date 2012-11-19 _Accession_date 2012-11-19 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Chemical shift assignments for the FUN-EGF3 recombinant fragment of human fibrillin-1' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yadin David A. . 2 Robertson Ian B. . 3 Jensen Sacha A. . 4 Handford Penny A. . 5 Redfield Christina . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 705 "13C chemical shifts" 512 "15N chemical shifts" 136 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-01-29 original author . stop_ _Original_release_date 2013-01-29 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title '(1)H, (13)C and (15)N assignments of the four N-terminal domains of human fibrillin-1.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23264024 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Yadin David A. . 2 Robertson Ian B. . 3 Jensen Sacha A. . 4 Handford Penny A. . 5 Redfield Christina . . stop_ _Journal_abbreviation 'Biomol. NMR Assignments' _Journal_name_full 'Biomolecular NMR assignments' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2012 _Details . loop_ _Keyword 'extracellular matrix' 'Human fibrillin-1 N-terminus' microfibril 'NMR resonance assignments' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name FUN-EGF3 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label FUN-EGF3 $FUN-EGF3 stop_ _System_molecular_weight 14082 _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . loop_ _Biological_function 'binding to prodomains of bone morphogenetic proteins' 'fibrillin microfibril formation' stop_ _Database_query_date . _Details 'FUN-EGF3 monomer' save_ ######################## # Monomeric polymers # ######################## save_FUN-EGF3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common FUN-EGF3 _Molecular_mass 14082 _Mol_thiol_state 'all disulfide bound' loop_ _Biological_function 'binding to prodomains of bone morphogenetic proteins' 'fibrillin microfibril formation' stop_ _Details 'Pro-fibrillin sequence (pre-furin processing) from NCBI database: reference NP_000129.3' ############################## # Polymer residue sequence # ############################## _Residue_count 136 _Mol_residue_sequence ; SARGGGGHDALKGPNVCGSR YNAYCCPGWKTLPGGNQCIV PICRHSCGDGFCSRPNMCTC PSGQIAPSCGSRSIQHCNIR CMNGGSCSDDHCLCQKGYIG THCGQPVCESGCLNGGRCVA PNRCACTYGFTGPQCE ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 43 SER 2 44 ALA 3 45 ARG 4 46 GLY 5 47 GLY 6 48 GLY 7 49 GLY 8 50 HIS 9 51 ASP 10 52 ALA 11 53 LEU 12 54 LYS 13 55 GLY 14 56 PRO 15 57 ASN 16 58 VAL 17 59 CYS 18 60 GLY 19 61 SER 20 62 ARG 21 63 TYR 22 64 ASN 23 65 ALA 24 66 TYR 25 67 CYS 26 68 CYS 27 69 PRO 28 70 GLY 29 71 TRP 30 72 LYS 31 73 THR 32 74 LEU 33 75 PRO 34 76 GLY 35 77 GLY 36 78 ASN 37 79 GLN 38 80 CYS 39 81 ILE 40 82 VAL 41 83 PRO 42 84 ILE 43 85 CYS 44 86 ARG 45 87 HIS 46 88 SER 47 89 CYS 48 90 GLY 49 91 ASP 50 92 GLY 51 93 PHE 52 94 CYS 53 95 SER 54 96 ARG 55 97 PRO 56 98 ASN 57 99 MET 58 100 CYS 59 101 THR 60 102 CYS 61 103 PRO 62 104 SER 63 105 GLY 64 106 GLN 65 107 ILE 66 108 ALA 67 109 PRO 68 110 SER 69 111 CYS 70 112 GLY 71 113 SER 72 114 ARG 73 115 SER 74 116 ILE 75 117 GLN 76 118 HIS 77 119 CYS 78 120 ASN 79 121 ILE 80 122 ARG 81 123 CYS 82 124 MET 83 125 ASN 84 126 GLY 85 127 GLY 86 128 SER 87 129 CYS 88 130 SER 89 131 ASP 90 132 ASP 91 133 HIS 92 134 CYS 93 135 LEU 94 136 CYS 95 137 GLN 96 138 LYS 97 139 GLY 98 140 TYR 99 141 ILE 100 142 GLY 101 143 THR 102 144 HIS 103 145 CYS 104 146 GLY 105 147 GLN 106 148 PRO 107 149 VAL 108 150 CYS 109 151 GLU 110 152 SER 111 153 GLY 112 154 CYS 113 155 LEU 114 156 ASN 115 157 GLY 116 158 GLY 117 159 ARG 118 160 CYS 119 161 VAL 120 162 ALA 121 163 PRO 122 164 ASN 123 165 ARG 124 166 CYS 125 167 ALA 126 168 CYS 127 169 THR 128 170 TYR 129 171 GLY 130 172 PHE 131 173 THR 132 174 GLY 133 175 PRO 134 176 GLN 135 177 CYS 136 178 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-19 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 2M74 "1h, 13c And 15n Assignments Of The Four N-terminal Domains Of Human Fibrillin-1" 100.00 136 100.00 100.00 1.83e-89 DBJ BAD16737 "fibrillin 1 [Homo sapiens]" 98.53 195 100.00 100.00 1.23e-89 DBJ BAD16738 "fibrillin 1 [Homo sapiens]" 98.53 1365 100.00 100.00 3.75e-81 DBJ BAD16739 "fibrillin 1 [Homo sapiens]" 98.53 2871 100.00 100.00 1.22e-80 DBJ BAG65498 "unnamed protein product [Homo sapiens]" 98.53 1149 100.00 100.00 1.03e-81 EMBL CAA45118 "fibrillin [Homo sapiens]" 98.53 3002 100.00 100.00 1.32e-80 GB AAA56840 "fibrillin [Mus musculus]" 98.53 2871 99.25 100.00 3.88e-80 GB AAA61825 "fibrillin-1, partial [Mus musculus]" 98.53 1095 98.51 100.00 1.94e-80 GB AAA64217 "fibrillin-1 [Mus musculus]" 98.53 2873 98.51 100.00 1.93e-79 GB AAA74122 "putative [Bos taurus]" 98.53 2871 99.25 100.00 5.23e-80 GB AAB02036 "fibrillin [Homo sapiens]" 98.53 2871 100.00 100.00 1.24e-80 REF NP_000129 "fibrillin-1 precursor [Homo sapiens]" 98.53 2871 100.00 100.00 1.24e-80 REF NP_001001771 "fibrillin-1 precursor [Sus scrofa]" 98.53 2871 100.00 100.00 1.43e-80 REF NP_001274014 "fibrillin-1 precursor [Canis lupus familiaris]" 98.53 2871 99.25 100.00 3.92e-80 REF NP_032019 "fibrillin-1 precursor [Mus musculus]" 98.53 2873 98.51 100.00 1.82e-79 REF NP_114013 "fibrillin-1 precursor [Rattus norvegicus]" 98.53 2872 98.51 100.00 1.77e-79 SP P35555 "RecName: Full=Fibrillin-1; Flags: Precursor" 98.53 2871 100.00 100.00 1.24e-80 SP P98133 "RecName: Full=Fibrillin-1; AltName: Full=MP340; Flags: Precursor" 98.53 2871 99.25 100.00 5.23e-80 SP Q61554 "RecName: Full=Fibrillin-1; Flags: Precursor" 98.53 2871 99.25 100.00 3.88e-80 SP Q9TV36 "RecName: Full=Fibrillin-1; Flags: Precursor" 98.53 2871 100.00 100.00 1.43e-80 TPG DAA25192 "TPA: fibrillin-1 precursor [Bos taurus]" 98.53 2871 100.00 100.00 1.24e-80 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 $FUN-EGF3 Human 9606 Eukaryota Metazoa Homo sapiens FBN1 'FUN-EGF3 is a region of the fibrillin-1 protein, which is encoded by the FBN1 gene' 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 _Details $FUN-EGF3 'recombinant technology' . Escherichia coli BL21 pQE-30 'Cells were also transformed with the pREP4 plasmid, enabling inducible expression' 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 $FUN-EGF3 1.5 mM '[U-99% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FUN-EGF3 0.5 mM '[U-99% 15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FUN-EGF3 1.5 mM '[U-99% 13C; U-99% 15N]' stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $FUN-EGF3 1.5 mM '[U-99% 13C; U-99% 15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 'June 2006 Sun Solaris' loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_CcpN_Analysis _Saveframe_category software _Name CcpN_Analysis _Version 2.1.5 loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer home-built _Model 'home-built using GE Omega software' _Field_strength 750 _Details 'home-built spectrometer with triple-axis gradient probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer home-built _Model 'home-built using GE Omega software' _Field_strength 600 _Details 'home-built spectrometer with triple-axis gradient probe' save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details 'with TCI CryoProbe' 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_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_2D_1H-1H_TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_2 save_ save_2D_DQF-COSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D DQF-COSY' _Sample_label $sample_2 save_ save_2D_1H-1H_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_2 save_ save_3D_HNCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_(H)CC(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CC(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCO_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HN(CA)CO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_4 save_ save_3D_HCCH-TOCSY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_4 save_ save_3D_1H-13C_NOESY_aliphatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_4 save_ save_2D_1H-13C_HSQC_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_4 save_ save_3D_1H-15N_HSQC-NOESY-HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N HSQC-NOESY-HSQC' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details 'Ionic strength reported as 0. Lyophilised sample dissolved in H2O/D2O or D2O and adjusted to desired pH using NaOH and HCl or NaOD and DCl.' loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0 . M pH 5.40 . 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 'H2O was used as the reference for 1H (4.75 ppm at 298K). The magnetogyric ratios were used for 13C and 15N.' 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 water C 13 protons ppm 4.75 internal indirect . . . 0.251449530 water H 1 protons ppm 4.75 internal direct . . . 1.0 water N 15 protons ppm 4.75 internal 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 1H-15N NOESY' '2D 1H-1H NOESY' '3D HNCA' '3D (H)CC(CO)NH' '3D HNCO' '3D HN(CA)CO' '3D HCCH-TOCSY' '2D 1H-13C HSQC aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name FUN-EGF3 _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 44 2 ALA HA H 4.380 0.02 1 2 44 2 ALA HB H 1.384 0.02 1 3 44 2 ALA C C 177.626 0.2 1 4 44 2 ALA CA C 52.681 0.2 1 5 44 2 ALA CB C 19.360 0.2 1 6 45 3 ARG H H 8.447 0.02 1 7 45 3 ARG HA H 4.317 0.02 1 8 45 3 ARG HB2 H 1.747 0.02 2 9 45 3 ARG HB3 H 1.844 0.02 2 10 45 3 ARG HG2 H 1.625 0.02 2 11 45 3 ARG HG3 H 1.627 0.02 2 12 45 3 ARG HD2 H 3.165 0.02 2 13 45 3 ARG HD3 H 3.169 0.02 2 14 45 3 ARG C C 176.944 0.2 1 15 45 3 ARG CA C 56.380 0.2 1 16 45 3 ARG CB C 30.794 0.2 1 17 45 3 ARG CG C 27.148 0.2 1 18 45 3 ARG CD C 43.190 0.2 1 19 45 3 ARG N N 120.780 0.2 1 20 46 4 GLY H H 8.417 0.02 1 21 46 4 GLY HA2 H 3.983 0.02 1 22 46 4 GLY HA3 H 3.983 0.02 1 23 46 4 GLY C C 174.673 0.2 1 24 46 4 GLY CA C 45.336 0.2 1 25 46 4 GLY N N 110.491 0.2 1 26 47 5 GLY H H 8.382 0.02 1 27 47 5 GLY HA2 H 3.983 0.02 1 28 47 5 GLY HA3 H 3.983 0.02 1 29 47 5 GLY C C 174.806 0.2 1 30 47 5 GLY CA C 45.130 0.2 1 31 47 5 GLY N N 108.737 0.2 1 32 48 6 GLY H H 8.337 0.02 1 33 48 6 GLY HA2 H 3.911 0.02 1 34 48 6 GLY HA3 H 3.911 0.02 1 35 48 6 GLY C C 174.819 0.2 1 36 48 6 GLY CA C 45.145 0.2 1 37 48 6 GLY N N 108.599 0.2 1 38 49 7 GLY H H 8.335 0.02 1 39 49 7 GLY HA2 H 3.974 0.02 1 40 49 7 GLY HA3 H 3.974 0.02 1 41 49 7 GLY C C 174.252 0.2 1 42 49 7 GLY CA C 45.198 0.2 1 43 49 7 GLY N N 108.786 0.2 1 44 50 8 HIS H H 8.360 0.02 1 45 50 8 HIS HA H 4.692 0.02 1 46 50 8 HIS HB2 H 3.248 0.02 2 47 50 8 HIS HB3 H 3.130 0.02 2 48 50 8 HIS C C 174.352 0.2 1 49 50 8 HIS CA C 55.536 0.2 1 50 50 8 HIS CB C 29.515 0.2 1 51 50 8 HIS N N 118.226 0.2 1 52 51 9 ASP H H 8.427 0.02 1 53 51 9 ASP HA H 4.592 0.02 1 54 51 9 ASP HB2 H 2.545 0.02 2 55 51 9 ASP HB3 H 2.648 0.02 2 56 51 9 ASP C C 175.623 0.2 1 57 51 9 ASP CA C 54.352 0.2 1 58 51 9 ASP CB C 41.313 0.2 1 59 51 9 ASP N N 121.289 0.2 1 60 52 10 ALA H H 8.143 0.02 1 61 52 10 ALA HA H 4.281 0.02 1 62 52 10 ALA HB H 1.336 0.02 1 63 52 10 ALA C C 177.420 0.2 1 64 52 10 ALA CA C 52.412 0.2 1 65 52 10 ALA CB C 19.512 0.2 1 66 52 10 ALA N N 124.182 0.2 1 67 53 11 LEU H H 7.881 0.02 1 68 53 11 LEU HA H 4.556 0.02 1 69 53 11 LEU HB2 H 1.434 0.02 2 70 53 11 LEU HB3 H 1.226 0.02 2 71 53 11 LEU HG H 1.589 0.02 1 72 53 11 LEU HD1 H 0.705 0.02 2 73 53 11 LEU HD2 H 0.712 0.02 2 74 53 11 LEU C C 176.613 0.2 1 75 53 11 LEU CA C 54.857 0.2 1 76 53 11 LEU CB C 43.631 0.2 1 77 53 11 LEU CG C 26.953 0.2 1 78 53 11 LEU CD1 C 22.929 0.2 2 79 53 11 LEU CD2 C 25.264 0.2 2 80 53 11 LEU N N 120.183 0.2 1 81 54 12 LYS H H 8.247 0.02 1 82 54 12 LYS HA H 4.534 0.02 1 83 54 12 LYS HB2 H 1.737 0.02 2 84 54 12 LYS HB3 H 1.614 0.02 2 85 54 12 LYS HG2 H 1.296 0.02 2 86 54 12 LYS HG3 H 1.228 0.02 2 87 54 12 LYS HD2 H 1.574 0.02 2 88 54 12 LYS HD3 H 1.582 0.02 2 89 54 12 LYS HE2 H 2.878 0.02 2 90 54 12 LYS HE3 H 2.875 0.02 2 91 54 12 LYS C C 175.688 0.2 1 92 54 12 LYS CA C 54.778 0.2 1 93 54 12 LYS CB C 35.742 0.2 1 94 54 12 LYS CG C 23.804 0.2 1 95 54 12 LYS CD C 29.207 0.2 1 96 54 12 LYS CE C 42.190 0.2 1 97 54 12 LYS N N 120.049 0.2 1 98 55 13 GLY H H 8.332 0.02 1 99 55 13 GLY HA2 H 4.384 0.02 2 100 55 13 GLY HA3 H 3.638 0.02 2 101 55 13 GLY C C 171.549 0.2 1 102 55 13 GLY CA C 44.248 0.2 1 103 55 13 GLY N N 108.809 0.2 1 104 56 14 PRO HA H 4.271 0.02 1 105 56 14 PRO HB2 H 1.996 0.02 2 106 56 14 PRO HB3 H 1.490 0.02 2 107 56 14 PRO HG2 H 1.782 0.02 2 108 56 14 PRO HG3 H 1.553 0.02 2 109 56 14 PRO HD2 H 3.593 0.02 2 110 56 14 PRO HD3 H 3.373 0.02 2 111 56 14 PRO C C 176.321 0.2 1 112 56 14 PRO CA C 62.489 0.2 1 113 56 14 PRO CB C 33.024 0.2 1 114 56 14 PRO CG C 26.559 0.2 1 115 56 14 PRO CD C 49.918 0.2 1 116 57 15 ASN H H 8.464 0.02 1 117 57 15 ASN HA H 3.759 0.02 1 118 57 15 ASN HB2 H 1.741 0.02 2 119 57 15 ASN HB3 H 2.862 0.02 2 120 57 15 ASN HD21 H 5.054 0.02 1 121 57 15 ASN HD22 H 6.090 0.02 1 122 57 15 ASN C C 173.070 0.2 1 123 57 15 ASN CA C 53.820 0.2 1 124 57 15 ASN CB C 36.121 0.2 1 125 57 15 ASN N N 111.320 0.2 1 126 57 15 ASN ND2 N 113.531 0.2 1 127 58 16 VAL H H 7.571 0.02 1 128 58 16 VAL HA H 4.055 0.02 1 129 58 16 VAL HB H 1.699 0.02 1 130 58 16 VAL HG1 H 0.685 0.02 2 131 58 16 VAL HG2 H 0.471 0.02 2 132 58 16 VAL C C 175.618 0.2 1 133 58 16 VAL CA C 63.495 0.2 1 134 58 16 VAL CB C 32.340 0.2 1 135 58 16 VAL CG1 C 22.690 0.2 2 136 58 16 VAL CG2 C 22.717 0.2 2 137 58 16 VAL N N 117.474 0.2 1 138 59 17 CYS H H 9.187 0.02 1 139 59 17 CYS HA H 4.874 0.02 1 140 59 17 CYS HB2 H 2.733 0.02 2 141 59 17 CYS HB3 H 2.330 0.02 2 142 59 17 CYS C C 172.843 0.2 1 143 59 17 CYS CA C 59.526 0.2 1 144 59 17 CYS CB C 41.436 0.2 1 145 59 17 CYS N N 130.742 0.2 1 146 60 18 GLY H H 8.239 0.02 1 147 60 18 GLY HA2 H 3.673 0.02 2 148 60 18 GLY HA3 H 4.375 0.02 2 149 60 18 GLY C C 173.952 0.2 1 150 60 18 GLY CA C 44.757 0.2 1 151 60 18 GLY N N 106.335 0.2 1 152 61 19 SER H H 8.102 0.02 1 153 61 19 SER HA H 4.620 0.02 1 154 61 19 SER HB2 H 4.075 0.02 2 155 61 19 SER HB3 H 3.863 0.02 2 156 61 19 SER C C 175.033 0.2 1 157 61 19 SER CA C 56.955 0.2 1 158 61 19 SER CB C 65.820 0.2 1 159 61 19 SER N N 116.458 0.2 1 160 62 20 ARG H H 8.505 0.02 1 161 62 20 ARG HA H 3.866 0.02 1 162 62 20 ARG HB2 H 1.645 0.02 2 163 62 20 ARG HB3 H 1.414 0.02 2 164 62 20 ARG HG2 H 1.076 0.02 2 165 62 20 ARG HG3 H 1.077 0.02 2 166 62 20 ARG HD2 H 2.952 0.02 2 167 62 20 ARG HD3 H 2.953 0.02 2 168 62 20 ARG C C 177.104 0.2 1 169 62 20 ARG CA C 58.710 0.2 1 170 62 20 ARG CB C 29.703 0.2 1 171 62 20 ARG CG C 26.285 0.2 1 172 62 20 ARG CD C 43.252 0.2 1 173 62 20 ARG N N 119.207 0.2 1 174 63 21 TYR H H 7.827 0.02 1 175 63 21 TYR HA H 4.586 0.02 1 176 63 21 TYR HB2 H 3.261 0.02 2 177 63 21 TYR HB3 H 2.779 0.02 2 178 63 21 TYR HD1 H 7.122 0.02 3 179 63 21 TYR HD2 H 7.122 0.02 3 180 63 21 TYR HE1 H 6.830 0.02 3 181 63 21 TYR HE2 H 6.830 0.02 3 182 63 21 TYR C C 175.297 0.2 1 183 63 21 TYR CA C 57.834 0.2 1 184 63 21 TYR CB C 38.151 0.2 1 185 63 21 TYR CD1 C 133.003 0.2 3 186 63 21 TYR CD2 C 133.003 0.2 3 187 63 21 TYR CE1 C 118.135 0.2 3 188 63 21 TYR CE2 C 118.135 0.2 3 189 63 21 TYR N N 115.552 0.2 1 190 64 22 ASN H H 7.599 0.02 1 191 64 22 ASN HA H 4.846 0.02 1 192 64 22 ASN HB2 H 2.681 0.02 2 193 64 22 ASN HB3 H 2.819 0.02 2 194 64 22 ASN HD21 H 6.889 0.02 1 195 64 22 ASN HD22 H 7.542 0.02 1 196 64 22 ASN C C 172.623 0.2 1 197 64 22 ASN CA C 52.966 0.2 1 198 64 22 ASN CB C 38.933 0.2 1 199 64 22 ASN N N 120.053 0.2 1 200 64 22 ASN ND2 N 111.711 0.2 1 201 65 23 ALA H H 8.185 0.02 1 202 65 23 ALA HA H 4.805 0.02 1 203 65 23 ALA HB H 1.267 0.02 1 204 65 23 ALA C C 177.024 0.2 1 205 65 23 ALA CA C 51.800 0.2 1 206 65 23 ALA CB C 20.705 0.2 1 207 65 23 ALA N N 126.460 0.2 1 208 66 24 TYR H H 7.802 0.02 1 209 66 24 TYR HA H 4.697 0.02 1 210 66 24 TYR HB2 H 3.110 0.02 2 211 66 24 TYR HB3 H 2.973 0.02 2 212 66 24 TYR HD1 H 6.991 0.02 3 213 66 24 TYR HD2 H 6.991 0.02 3 214 66 24 TYR HE1 H 6.698 0.02 3 215 66 24 TYR HE2 H 6.698 0.02 3 216 66 24 TYR C C 174.161 0.2 1 217 66 24 TYR CA C 55.530 0.2 1 218 66 24 TYR CB C 39.502 0.2 1 219 66 24 TYR CD1 C 134.817 0.2 3 220 66 24 TYR CD2 C 134.817 0.2 3 221 66 24 TYR CE1 C 117.268 0.2 3 222 66 24 TYR CE2 C 117.268 0.2 3 223 66 24 TYR N N 117.842 0.2 1 224 67 25 CYS H H 9.070 0.02 1 225 67 25 CYS HA H 5.215 0.02 1 226 67 25 CYS HB2 H 2.773 0.02 2 227 67 25 CYS HB3 H 3.125 0.02 2 228 67 25 CYS C C 175.710 0.2 1 229 67 25 CYS CA C 53.025 0.2 1 230 67 25 CYS CB C 35.626 0.2 1 231 67 25 CYS N N 118.254 0.2 1 232 68 26 CYS H H 9.056 0.02 1 233 68 26 CYS HA H 4.648 0.02 1 234 68 26 CYS HB2 H 3.460 0.02 2 235 68 26 CYS HB3 H 2.351 0.02 2 236 68 26 CYS C C 170.365 0.2 1 237 68 26 CYS CA C 53.737 0.2 1 238 68 26 CYS CB C 39.704 0.2 1 239 68 26 CYS N N 121.786 0.2 1 240 69 27 PRO HA H 4.385 0.02 1 241 69 27 PRO HB2 H 1.896 0.02 2 242 69 27 PRO HB3 H 2.332 0.02 2 243 69 27 PRO HG2 H 2.183 0.02 2 244 69 27 PRO HG3 H 2.249 0.02 2 245 69 27 PRO HD2 H 4.001 0.02 2 246 69 27 PRO HD3 H 3.844 0.02 2 247 69 27 PRO C C 177.251 0.2 1 248 69 27 PRO CA C 64.653 0.2 1 249 69 27 PRO CB C 31.799 0.2 1 250 69 27 PRO CG C 28.110 0.2 1 251 69 27 PRO CD C 50.465 0.2 1 252 70 28 GLY H H 8.717 0.02 1 253 70 28 GLY HA2 H 4.082 0.02 2 254 70 28 GLY HA3 H 3.428 0.02 2 255 70 28 GLY C C 171.292 0.2 1 256 70 28 GLY CA C 44.694 0.2 1 257 70 28 GLY N N 112.669 0.2 1 258 71 29 TRP H H 7.974 0.02 1 259 71 29 TRP HA H 5.379 0.02 1 260 71 29 TRP HB2 H 3.097 0.02 2 261 71 29 TRP HB3 H 2.899 0.02 2 262 71 29 TRP HD1 H 6.696 0.02 1 263 71 29 TRP HE1 H 9.854 0.02 1 264 71 29 TRP HE3 H 6.972 0.02 1 265 71 29 TRP HZ2 H 7.350 0.02 1 266 71 29 TRP HZ3 H 6.724 0.02 1 267 71 29 TRP HH2 H 7.203 0.02 1 268 71 29 TRP C C 175.144 0.2 1 269 71 29 TRP CA C 55.306 0.2 1 270 71 29 TRP CB C 32.946 0.2 1 271 71 29 TRP CD1 C 126.929 0.2 1 272 71 29 TRP CE3 C 118.107 0.2 1 273 71 29 TRP CZ2 C 114.286 0.2 1 274 71 29 TRP CH2 C 123.445 0.2 1 275 71 29 TRP N N 118.392 0.2 1 276 71 29 TRP NE1 N 128.841 0.2 1 277 72 30 LYS H H 9.582 0.02 1 278 72 30 LYS HA H 4.999 0.02 1 279 72 30 LYS HB2 H 1.857 0.02 2 280 72 30 LYS HB3 H 2.106 0.02 2 281 72 30 LYS HG2 H 1.249 0.02 2 282 72 30 LYS HG3 H 1.325 0.02 2 283 72 30 LYS HD2 H 1.627 0.02 2 284 72 30 LYS HD3 H 1.536 0.02 2 285 72 30 LYS HE2 H 2.796 0.02 2 286 72 30 LYS HE3 H 2.976 0.02 2 287 72 30 LYS C C 174.833 0.2 1 288 72 30 LYS CA C 55.259 0.2 1 289 72 30 LYS CB C 36.208 0.2 1 290 72 30 LYS CG C 23.443 0.2 1 291 72 30 LYS CD C 29.976 0.2 1 292 72 30 LYS CE C 42.153 0.2 1 293 72 30 LYS N N 118.233 0.2 1 294 73 31 THR H H 7.856 0.02 1 295 73 31 THR HA H 5.294 0.02 1 296 73 31 THR HB H 4.431 0.02 1 297 73 31 THR HG2 H 1.003 0.02 1 298 73 31 THR C C 177.956 0.2 1 299 73 31 THR CA C 60.258 0.2 1 300 73 31 THR CB C 71.617 0.2 1 301 73 31 THR CG2 C 20.353 0.2 1 302 73 31 THR N N 107.686 0.2 1 303 74 32 LEU H H 8.758 0.02 1 304 74 32 LEU HA H 4.568 0.02 1 305 74 32 LEU HB2 H 1.549 0.02 2 306 74 32 LEU HB3 H 1.541 0.02 2 307 74 32 LEU HG H 1.710 0.02 1 308 74 32 LEU HD1 H 0.996 0.02 2 309 74 32 LEU HD2 H 1.002 0.02 2 310 74 32 LEU C C 176.681 0.2 1 311 74 32 LEU CA C 54.807 0.2 1 312 74 32 LEU CB C 41.181 0.2 1 313 74 32 LEU CG C 27.488 0.2 1 314 74 32 LEU CD1 C 25.549 0.2 2 315 74 32 LEU CD2 C 25.494 0.2 2 316 74 32 LEU N N 121.638 0.2 1 317 75 33 PRO HA H 4.441 0.02 1 318 75 33 PRO HB2 H 2.292 0.02 2 319 75 33 PRO HB3 H 1.953 0.02 2 320 75 33 PRO HG2 H 2.024 0.02 2 321 75 33 PRO HG3 H 2.200 0.02 2 322 75 33 PRO HD2 H 3.907 0.02 2 323 75 33 PRO HD3 H 3.603 0.02 2 324 75 33 PRO C C 178.599 0.2 1 325 75 33 PRO CA C 64.593 0.2 1 326 75 33 PRO CB C 30.857 0.2 1 327 75 33 PRO CG C 28.154 0.2 1 328 75 33 PRO CD C 50.271 0.2 1 329 76 34 GLY H H 9.030 0.02 1 330 76 34 GLY HA2 H 4.085 0.02 2 331 76 34 GLY HA3 H 3.803 0.02 2 332 76 34 GLY C C 174.646 0.2 1 333 76 34 GLY CA C 45.923 0.2 1 334 76 34 GLY N N 115.628 0.2 1 335 77 35 GLY H H 8.456 0.02 1 336 77 35 GLY HA2 H 3.905 0.02 2 337 77 35 GLY HA3 H 4.402 0.02 2 338 77 35 GLY C C 173.629 0.2 1 339 77 35 GLY CA C 44.250 0.2 1 340 77 35 GLY N N 108.712 0.2 1 341 78 36 ASN H H 8.233 0.02 1 342 78 36 ASN HA H 4.908 0.02 1 343 78 36 ASN HB2 H 3.132 0.02 2 344 78 36 ASN HB3 H 2.702 0.02 2 345 78 36 ASN HD21 H 7.462 0.02 1 346 78 36 ASN HD22 H 6.699 0.02 1 347 78 36 ASN C C 173.595 0.2 1 348 78 36 ASN CA C 52.047 0.2 1 349 78 36 ASN CB C 39.014 0.2 1 350 78 36 ASN N N 114.578 0.2 1 351 78 36 ASN ND2 N 110.232 0.2 1 352 79 37 GLN H H 7.564 0.02 1 353 79 37 GLN HA H 4.983 0.02 1 354 79 37 GLN HB2 H 1.815 0.02 2 355 79 37 GLN HB3 H 2.106 0.02 2 356 79 37 GLN HG2 H 2.381 0.02 2 357 79 37 GLN HG3 H 2.276 0.02 2 358 79 37 GLN HE21 H 7.374 0.02 1 359 79 37 GLN HE22 H 6.768 0.02 1 360 79 37 GLN C C 177.181 0.2 1 361 79 37 GLN CA C 54.485 0.2 1 362 79 37 GLN CB C 33.726 0.2 1 363 79 37 GLN CG C 33.750 0.2 1 364 79 37 GLN N N 113.617 0.2 1 365 79 37 GLN NE2 N 111.522 0.2 1 366 80 38 CYS H H 8.444 0.02 1 367 80 38 CYS HA H 4.404 0.02 1 368 80 38 CYS HB2 H 2.988 0.02 2 369 80 38 CYS HB3 H 2.613 0.02 2 370 80 38 CYS C C 173.831 0.2 1 371 80 38 CYS CA C 55.097 0.2 1 372 80 38 CYS CB C 38.503 0.2 1 373 80 38 CYS N N 120.785 0.2 1 374 81 39 ILE H H 7.396 0.02 1 375 81 39 ILE HA H 4.533 0.02 1 376 81 39 ILE HB H 2.236 0.02 1 377 81 39 ILE HG12 H 1.280 0.02 2 378 81 39 ILE HG13 H 1.104 0.02 2 379 81 39 ILE HG2 H 0.750 0.02 1 380 81 39 ILE HD1 H 0.909 0.02 1 381 81 39 ILE C C 176.210 0.2 1 382 81 39 ILE CA C 60.517 0.2 1 383 81 39 ILE CB C 40.098 0.2 1 384 81 39 ILE CG1 C 26.218 0.2 1 385 81 39 ILE CG2 C 18.583 0.2 1 386 81 39 ILE CD1 C 14.076 0.2 1 387 81 39 ILE N N 110.779 0.2 1 388 82 40 VAL H H 9.072 0.02 1 389 82 40 VAL HA H 4.681 0.02 1 390 82 40 VAL HB H 2.043 0.02 1 391 82 40 VAL HG1 H 0.909 0.02 2 392 82 40 VAL HG2 H 0.900 0.02 2 393 82 40 VAL C C 173.109 0.2 1 394 82 40 VAL CA C 59.832 0.2 1 395 82 40 VAL CB C 32.277 0.2 1 396 82 40 VAL CG1 C 20.770 0.2 2 397 82 40 VAL CG2 C 20.734 0.2 2 398 82 40 VAL N N 126.768 0.2 1 399 83 41 PRO HA H 4.157 0.02 1 400 83 41 PRO HB2 H 0.936 0.02 2 401 83 41 PRO HB3 H 0.628 0.02 2 402 83 41 PRO HG2 H 1.506 0.02 2 403 83 41 PRO HG3 H 1.509 0.02 2 404 83 41 PRO HD2 H 3.908 0.02 2 405 83 41 PRO HD3 H 4.015 0.02 2 406 83 41 PRO C C 175.397 0.2 1 407 83 41 PRO CA C 61.521 0.2 1 408 83 41 PRO CB C 30.349 0.2 1 409 83 41 PRO CG C 26.384 0.2 1 410 83 41 PRO CD C 50.353 0.2 1 411 84 42 ILE H H 7.809 0.02 1 412 84 42 ILE HA H 3.912 0.02 1 413 84 42 ILE HB H 1.247 0.02 1 414 84 42 ILE HG12 H 1.258 0.02 2 415 84 42 ILE HG13 H 0.629 0.02 2 416 84 42 ILE HG2 H 0.633 0.02 1 417 84 42 ILE HD1 H 0.632 0.02 1 418 84 42 ILE C C 176.271 0.2 1 419 84 42 ILE CA C 60.991 0.2 1 420 84 42 ILE CB C 39.525 0.2 1 421 84 42 ILE CG1 C 27.240 0.2 1 422 84 42 ILE CG2 C 17.097 0.2 1 423 84 42 ILE CD1 C 14.030 0.2 1 424 84 42 ILE N N 118.667 0.2 1 425 85 43 CYS H H 8.790 0.02 1 426 85 43 CYS HA H 4.939 0.02 1 427 85 43 CYS HB2 H 3.040 0.02 2 428 85 43 CYS HB3 H 3.028 0.02 2 429 85 43 CYS C C 173.883 0.2 1 430 85 43 CYS CA C 59.167 0.2 1 431 85 43 CYS CB C 39.104 0.2 1 432 85 43 CYS N N 127.940 0.2 1 433 86 44 ARG H H 8.591 0.02 1 434 86 44 ARG HA H 3.928 0.02 1 435 86 44 ARG HB2 H 1.568 0.02 2 436 86 44 ARG HB3 H 1.584 0.02 2 437 86 44 ARG HG2 H 1.350 0.02 2 438 86 44 ARG HG3 H 1.358 0.02 2 439 86 44 ARG HD2 H 3.058 0.02 2 440 86 44 ARG HD3 H 3.046 0.02 2 441 86 44 ARG C C 175.943 0.2 1 442 86 44 ARG CA C 57.567 0.2 1 443 86 44 ARG CB C 30.111 0.2 1 444 86 44 ARG CG C 27.059 0.2 1 445 86 44 ARG CD C 43.088 0.2 1 446 86 44 ARG N N 123.616 0.2 1 447 87 45 HIS H H 8.253 0.02 1 448 87 45 HIS HA H 4.796 0.02 1 449 87 45 HIS HB2 H 3.166 0.02 2 450 87 45 HIS HB3 H 3.156 0.02 2 451 87 45 HIS HD2 H 7.131 0.02 1 452 87 45 HIS C C 173.883 0.2 1 453 87 45 HIS CA C 53.411 0.2 1 454 87 45 HIS CB C 30.736 0.2 1 455 87 45 HIS CD2 C 120.009 0.2 1 456 87 45 HIS N N 116.500 0.2 1 457 88 46 SER H H 8.374 0.02 1 458 88 46 SER HA H 4.255 0.02 1 459 88 46 SER HB2 H 4.083 0.02 2 460 88 46 SER HB3 H 3.764 0.02 2 461 88 46 SER C C 177.147 0.2 1 462 88 46 SER CA C 58.618 0.2 1 463 88 46 SER CB C 63.902 0.2 1 464 88 46 SER N N 113.028 0.2 1 465 89 47 CYS H H 8.861 0.02 1 466 89 47 CYS HA H 4.899 0.02 1 467 89 47 CYS HB2 H 2.913 0.02 2 468 89 47 CYS HB3 H 2.378 0.02 2 469 89 47 CYS C C 175.496 0.2 1 470 89 47 CYS CA C 53.508 0.2 1 471 89 47 CYS CB C 36.656 0.2 1 472 89 47 CYS N N 124.394 0.2 1 473 90 48 GLY H H 8.579 0.02 1 474 90 48 GLY HA2 H 3.545 0.02 2 475 90 48 GLY HA3 H 3.787 0.02 2 476 90 48 GLY C C 174.913 0.2 1 477 90 48 GLY CA C 47.484 0.2 1 478 90 48 GLY N N 111.201 0.2 1 479 91 49 ASP H H 8.842 0.02 1 480 91 49 ASP HA H 4.681 0.02 1 481 91 49 ASP HB2 H 2.581 0.02 2 482 91 49 ASP HB3 H 2.854 0.02 2 483 91 49 ASP C C 177.265 0.2 1 484 91 49 ASP CA C 54.940 0.2 1 485 91 49 ASP CB C 40.649 0.2 1 486 91 49 ASP N N 126.582 0.2 1 487 92 50 GLY H H 8.398 0.02 1 488 92 50 GLY HA2 H 4.607 0.02 2 489 92 50 GLY HA3 H 4.189 0.02 2 490 92 50 GLY C C 171.298 0.2 1 491 92 50 GLY CA C 44.744 0.2 1 492 92 50 GLY N N 108.010 0.2 1 493 93 51 PHE H H 7.946 0.02 1 494 93 51 PHE HA H 4.946 0.02 1 495 93 51 PHE HB2 H 2.984 0.02 2 496 93 51 PHE HB3 H 3.047 0.02 2 497 93 51 PHE HD1 H 7.077 0.02 3 498 93 51 PHE HD2 H 7.077 0.02 3 499 93 51 PHE HE1 H 7.313 0.02 3 500 93 51 PHE HE2 H 7.313 0.02 3 501 93 51 PHE HZ H 7.350 0.02 1 502 93 51 PHE C C 172.960 0.2 1 503 93 51 PHE CA C 55.166 0.2 1 504 93 51 PHE CB C 41.793 0.2 1 505 93 51 PHE CD1 C 133.289 0.2 3 506 93 51 PHE CD2 C 133.289 0.2 3 507 93 51 PHE CE1 C 131.060 0.2 3 508 93 51 PHE CE2 C 131.060 0.2 3 509 93 51 PHE CZ C 129.638 0.2 1 510 93 51 PHE N N 113.616 0.2 1 511 94 52 CYS H H 8.925 0.02 1 512 94 52 CYS HA H 4.794 0.02 1 513 94 52 CYS HB2 H 2.969 0.02 2 514 94 52 CYS HB3 H 3.061 0.02 2 515 94 52 CYS C C 174.243 0.2 1 516 94 52 CYS CA C 57.114 0.2 1 517 94 52 CYS CB C 40.224 0.2 1 518 94 52 CYS N N 123.531 0.2 1 519 95 53 SER H H 9.142 0.02 1 520 95 53 SER HA H 4.793 0.02 1 521 95 53 SER HB2 H 3.890 0.02 2 522 95 53 SER HB3 H 3.496 0.02 2 523 95 53 SER C C 174.296 0.2 1 524 95 53 SER CA C 58.439 0.2 1 525 95 53 SER CB C 65.403 0.2 1 526 95 53 SER N N 124.879 0.2 1 527 96 54 ARG H H 8.509 0.02 1 528 96 54 ARG HA H 4.054 0.02 1 529 96 54 ARG HB2 H 1.471 0.02 2 530 96 54 ARG HB3 H 1.986 0.02 2 531 96 54 ARG HG2 H 1.724 0.02 2 532 96 54 ARG HG3 H 1.725 0.02 2 533 96 54 ARG HD2 H 3.223 0.02 2 534 96 54 ARG HD3 H 3.227 0.02 2 535 96 54 ARG C C 171.184 0.2 1 536 96 54 ARG CA C 54.495 0.2 1 537 96 54 ARG CB C 31.746 0.2 1 538 96 54 ARG CG C 28.120 0.2 1 539 96 54 ARG CD C 43.524 0.2 1 540 96 54 ARG N N 124.785 0.2 1 541 97 55 PRO HA H 3.953 0.02 1 542 97 55 PRO HB2 H 2.001 0.02 2 543 97 55 PRO HB3 H 1.699 0.02 2 544 97 55 PRO HG2 H 1.696 0.02 2 545 97 55 PRO HG3 H 0.763 0.02 2 546 97 55 PRO HD2 H 3.319 0.02 2 547 97 55 PRO HD3 H 2.766 0.02 2 548 97 55 PRO C C 176.876 0.2 1 549 97 55 PRO CA C 65.061 0.2 1 550 97 55 PRO CB C 31.053 0.2 1 551 97 55 PRO CG C 27.484 0.2 1 552 97 55 PRO CD C 49.992 0.2 1 553 98 56 ASN H H 8.733 0.02 1 554 98 56 ASN HA H 4.438 0.02 1 555 98 56 ASN HB2 H 3.116 0.02 2 556 98 56 ASN HB3 H 2.826 0.02 2 557 98 56 ASN HD21 H 6.689 0.02 1 558 98 56 ASN HD22 H 7.566 0.02 1 559 98 56 ASN C C 173.049 0.2 1 560 98 56 ASN CA C 55.097 0.2 1 561 98 56 ASN CB C 38.531 0.2 1 562 98 56 ASN N N 120.164 0.2 1 563 98 56 ASN ND2 N 113.541 0.2 1 564 99 57 MET H H 8.396 0.02 1 565 99 57 MET HA H 4.689 0.02 1 566 99 57 MET HB2 H 1.503 0.02 2 567 99 57 MET HB3 H 1.502 0.02 2 568 99 57 MET HG2 H 2.267 0.02 2 569 99 57 MET HG3 H 2.354 0.02 2 570 99 57 MET HE H 1.959 0.02 1 571 99 57 MET C C 172.820 0.2 1 572 99 57 MET CA C 54.685 0.2 1 573 99 57 MET CB C 35.903 0.2 1 574 99 57 MET CG C 32.591 0.2 1 575 99 57 MET CE C 17.259 0.2 1 576 99 57 MET N N 119.715 0.2 1 577 100 58 CYS H H 8.545 0.02 1 578 100 58 CYS HA H 5.205 0.02 1 579 100 58 CYS HB2 H 2.563 0.02 2 580 100 58 CYS HB3 H 2.663 0.02 2 581 100 58 CYS C C 174.376 0.2 1 582 100 58 CYS CA C 52.760 0.2 1 583 100 58 CYS CB C 41.729 0.2 1 584 100 58 CYS N N 121.382 0.2 1 585 101 59 THR H H 8.841 0.02 1 586 101 59 THR HA H 4.420 0.02 1 587 101 59 THR HB H 2.764 0.02 1 588 101 59 THR HG2 H 0.966 0.02 1 589 101 59 THR C C 175.101 0.2 1 590 101 59 THR CA C 62.693 0.2 1 591 101 59 THR CB C 68.635 0.2 1 592 101 59 THR CG2 C 21.401 0.2 1 593 101 59 THR N N 117.306 0.2 1 594 102 60 CYS H H 8.834 0.02 1 595 102 60 CYS HA H 5.157 0.02 1 596 102 60 CYS HB2 H 2.584 0.02 2 597 102 60 CYS HB3 H 3.539 0.02 2 598 102 60 CYS C C 175.309 0.2 1 599 102 60 CYS CA C 52.402 0.2 1 600 102 60 CYS CB C 35.886 0.2 1 601 102 60 CYS N N 126.885 0.2 1 602 103 61 PRO HA H 4.384 0.02 1 603 103 61 PRO HB2 H 2.425 0.02 2 604 103 61 PRO HB3 H 1.942 0.02 2 605 103 61 PRO HG2 H 1.930 0.02 2 606 103 61 PRO HG3 H 2.134 0.02 2 607 103 61 PRO HD2 H 3.530 0.02 2 608 103 61 PRO HD3 H 3.849 0.02 2 609 103 61 PRO C C 176.807 0.2 1 610 103 61 PRO CA C 65.830 0.2 1 611 103 61 PRO CB C 31.562 0.2 1 612 103 61 PRO CG C 28.260 0.2 1 613 103 61 PRO CD C 50.468 0.2 1 614 104 62 SER H H 7.726 0.02 1 615 104 62 SER HA H 4.265 0.02 1 616 104 62 SER HB2 H 4.077 0.02 2 617 104 62 SER HB3 H 3.932 0.02 2 618 104 62 SER C C 175.479 0.2 1 619 104 62 SER CA C 58.731 0.2 1 620 104 62 SER CB C 63.844 0.2 1 621 104 62 SER N N 109.872 0.2 1 622 105 63 GLY H H 8.573 0.02 1 623 105 63 GLY HA2 H 3.546 0.02 2 624 105 63 GLY HA3 H 4.433 0.02 2 625 105 63 GLY C C 173.874 0.2 1 626 105 63 GLY CA C 44.696 0.2 1 627 105 63 GLY N N 111.394 0.2 1 628 106 64 GLN H H 7.515 0.02 1 629 106 64 GLN HA H 4.188 0.02 1 630 106 64 GLN HB2 H 1.851 0.02 2 631 106 64 GLN HB3 H 1.733 0.02 2 632 106 64 GLN HG2 H 2.296 0.02 2 633 106 64 GLN HG3 H 2.216 0.02 2 634 106 64 GLN HE21 H 6.871 0.02 1 635 106 64 GLN HE22 H 7.544 0.02 1 636 106 64 GLN C C 173.849 0.2 1 637 106 64 GLN CA C 55.813 0.2 1 638 106 64 GLN CB C 29.899 0.2 1 639 106 64 GLN CG C 33.854 0.2 1 640 106 64 GLN N N 120.013 0.2 1 641 106 64 GLN NE2 N 112.781 0.2 1 642 107 65 ILE H H 8.151 0.02 1 643 107 65 ILE HA H 5.151 0.02 1 644 107 65 ILE HB H 1.672 0.02 1 645 107 65 ILE HG12 H 1.503 0.02 2 646 107 65 ILE HG13 H 1.182 0.02 2 647 107 65 ILE HG2 H 0.716 0.02 1 648 107 65 ILE HD1 H 0.786 0.02 1 649 107 65 ILE C C 176.323 0.2 1 650 107 65 ILE CA C 59.813 0.2 1 651 107 65 ILE CB C 38.283 0.2 1 652 107 65 ILE CG1 C 27.488 0.2 1 653 107 65 ILE CG2 C 17.566 0.2 1 654 107 65 ILE CD1 C 13.244 0.2 1 655 107 65 ILE N N 123.929 0.2 1 656 108 66 ALA H H 9.162 0.02 1 657 108 66 ALA HA H 4.813 0.02 1 658 108 66 ALA HB H 1.449 0.02 1 659 108 66 ALA C C 174.981 0.2 1 660 108 66 ALA CA C 50.973 0.2 1 661 108 66 ALA CB C 21.462 0.2 1 662 108 66 ALA N N 131.263 0.2 1 663 109 67 PRO HA H 4.554 0.02 1 664 109 67 PRO HB2 H 1.884 0.02 2 665 109 67 PRO HB3 H 2.458 0.02 2 666 109 67 PRO HG2 H 2.066 0.02 2 667 109 67 PRO HG3 H 2.033 0.02 2 668 109 67 PRO HD2 H 3.733 0.02 2 669 109 67 PRO HD3 H 3.750 0.02 2 670 109 67 PRO C C 174.811 0.2 1 671 109 67 PRO CA C 64.763 0.2 1 672 109 67 PRO CB C 32.254 0.2 1 673 109 67 PRO CG C 27.845 0.2 1 674 109 67 PRO CD C 50.761 0.2 1 675 110 68 SER H H 7.070 0.02 1 676 110 68 SER HA H 4.529 0.02 1 677 110 68 SER HB2 H 3.864 0.02 2 678 110 68 SER HB3 H 3.596 0.02 2 679 110 68 SER C C 173.015 0.2 1 680 110 68 SER CA C 56.684 0.2 1 681 110 68 SER CB C 65.019 0.2 1 682 110 68 SER N N 105.745 0.2 1 683 111 69 CYS H H 8.548 0.02 1 684 111 69 CYS HA H 5.045 0.02 1 685 111 69 CYS HB2 H 3.350 0.02 2 686 111 69 CYS HB3 H 2.897 0.02 2 687 111 69 CYS C C 175.321 0.2 1 688 111 69 CYS CA C 53.079 0.2 1 689 111 69 CYS CB C 39.588 0.2 1 690 111 69 CYS N N 117.533 0.2 1 691 112 70 GLY H H 8.334 0.02 1 692 112 70 GLY HA2 H 3.992 0.02 2 693 112 70 GLY HA3 H 3.990 0.02 2 694 112 70 GLY C C 173.743 0.2 1 695 112 70 GLY CA C 45.046 0.2 1 696 112 70 GLY N N 110.404 0.2 1 697 113 71 SER H H 8.331 0.02 1 698 113 71 SER HA H 4.481 0.02 1 699 113 71 SER HB2 H 3.796 0.02 2 700 113 71 SER HB3 H 3.798 0.02 2 701 113 71 SER C C 174.680 0.2 1 702 113 71 SER CA C 58.059 0.2 1 703 113 71 SER CB C 64.261 0.2 1 704 113 71 SER N N 115.670 0.2 1 705 114 72 ARG H H 8.647 0.02 1 706 114 72 ARG HA H 4.315 0.02 1 707 114 72 ARG HB2 H 1.747 0.02 2 708 114 72 ARG HB3 H 1.848 0.02 2 709 114 72 ARG HG2 H 1.629 0.02 2 710 114 72 ARG HG3 H 1.626 0.02 2 711 114 72 ARG HD2 H 3.169 0.02 2 712 114 72 ARG HD3 H 3.171 0.02 2 713 114 72 ARG C C 176.435 0.2 1 714 114 72 ARG CA C 56.391 0.2 1 715 114 72 ARG CB C 30.823 0.2 1 716 114 72 ARG CG C 27.115 0.2 1 717 114 72 ARG CD C 43.409 0.2 1 718 114 72 ARG N N 123.686 0.2 1 719 115 73 SER H H 8.564 0.02 1 720 115 73 SER HA H 4.430 0.02 1 721 115 73 SER HB2 H 3.823 0.02 2 722 115 73 SER HB3 H 3.819 0.02 2 723 115 73 SER C C 174.464 0.2 1 724 115 73 SER CA C 58.423 0.2 1 725 115 73 SER CB C 63.809 0.2 1 726 115 73 SER N N 118.009 0.2 1 727 116 74 ILE H H 8.173 0.02 1 728 116 74 ILE HA H 4.151 0.02 1 729 116 74 ILE HB H 1.817 0.02 1 730 116 74 ILE HG12 H 1.398 0.02 2 731 116 74 ILE HG13 H 1.142 0.02 2 732 116 74 ILE HG2 H 0.814 0.02 1 733 116 74 ILE HD1 H 0.820 0.02 1 734 116 74 ILE C C 176.016 0.2 1 735 116 74 ILE CA C 61.172 0.2 1 736 116 74 ILE CB C 38.765 0.2 1 737 116 74 ILE CG1 C 27.244 0.2 1 738 116 74 ILE CG2 C 17.495 0.2 1 739 116 74 ILE CD1 C 12.977 0.2 1 740 116 74 ILE N N 122.733 0.2 1 741 117 75 GLN H H 8.374 0.02 1 742 117 75 GLN HA H 4.315 0.02 1 743 117 75 GLN HB2 H 2.036 0.02 2 744 117 75 GLN HB3 H 1.919 0.02 2 745 117 75 GLN HG2 H 2.321 0.02 2 746 117 75 GLN HG3 H 2.322 0.02 2 747 117 75 GLN HE21 H 6.857 0.02 1 748 117 75 GLN HE22 H 7.478 0.02 1 749 117 75 GLN C C 175.594 0.2 1 750 117 75 GLN CA C 55.634 0.2 1 751 117 75 GLN CB C 29.622 0.2 1 752 117 75 GLN CG C 33.832 0.2 1 753 117 75 GLN N N 124.233 0.2 1 754 117 75 GLN NE2 N 112.632 0.2 1 755 118 76 HIS H H 8.570 0.02 1 756 118 76 HIS HA H 4.695 0.02 1 757 118 76 HIS HB2 H 3.124 0.02 2 758 118 76 HIS HB3 H 3.221 0.02 2 759 118 76 HIS C C 173.837 0.2 1 760 118 76 HIS CA C 55.570 0.2 1 761 118 76 HIS CB C 29.433 0.2 1 762 118 76 HIS N N 120.668 0.2 1 763 119 77 CYS HA H 4.690 0.02 1 764 119 77 CYS HB2 H 3.077 0.02 2 765 119 77 CYS HB3 H 3.328 0.02 2 766 119 77 CYS C C 174.524 0.2 1 767 119 77 CYS CA C 56.452 0.2 1 768 119 77 CYS CB C 41.693 0.2 1 769 120 78 ASN H H 9.145 0.02 1 770 120 78 ASN HA H 4.799 0.02 1 771 120 78 ASN HB2 H 2.842 0.02 2 772 120 78 ASN HB3 H 2.677 0.02 2 773 120 78 ASN HD21 H 6.838 0.02 1 774 120 78 ASN HD22 H 7.679 0.02 1 775 120 78 ASN C C 174.551 0.2 1 776 120 78 ASN CA C 53.461 0.2 1 777 120 78 ASN CB C 39.226 0.2 1 778 120 78 ASN N N 122.555 0.2 1 779 120 78 ASN ND2 N 113.042 0.2 1 780 121 79 ILE H H 7.226 0.02 1 781 121 79 ILE HA H 4.169 0.02 1 782 121 79 ILE HB H 1.592 0.02 1 783 121 79 ILE HG12 H 1.003 0.02 2 784 121 79 ILE HG13 H 1.382 0.02 2 785 121 79 ILE HG2 H 0.716 0.02 1 786 121 79 ILE HD1 H 0.628 0.02 1 787 121 79 ILE C C 173.907 0.2 1 788 121 79 ILE CA C 60.789 0.2 1 789 121 79 ILE CB C 40.296 0.2 1 790 121 79 ILE CG1 C 27.729 0.2 1 791 121 79 ILE CG2 C 17.079 0.2 1 792 121 79 ILE CD1 C 13.743 0.2 1 793 121 79 ILE N N 118.549 0.2 1 794 122 80 ARG H H 8.406 0.02 1 795 122 80 ARG HA H 4.287 0.02 1 796 122 80 ARG HB2 H 1.660 0.02 2 797 122 80 ARG HB3 H 1.663 0.02 2 798 122 80 ARG HG2 H 1.437 0.02 2 799 122 80 ARG HG3 H 1.571 0.02 2 800 122 80 ARG HD2 H 3.101 0.02 2 801 122 80 ARG HD3 H 3.097 0.02 2 802 122 80 ARG C C 175.721 0.2 1 803 122 80 ARG CA C 55.602 0.2 1 804 122 80 ARG CB C 30.297 0.2 1 805 122 80 ARG CG C 27.139 0.2 1 806 122 80 ARG CD C 43.335 0.2 1 807 122 80 ARG N N 124.714 0.2 1 808 123 81 CYS H H 8.566 0.02 1 809 123 81 CYS HA H 4.677 0.02 1 810 123 81 CYS HB2 H 2.398 0.02 1 811 123 81 CYS HB3 H 2.398 0.02 1 812 123 81 CYS C C 173.659 0.2 1 813 123 81 CYS CA C 53.180 0.2 1 814 123 81 CYS CB C 39.566 0.2 1 815 123 81 CYS N N 123.960 0.2 1 816 124 82 MET H H 8.337 0.02 1 817 124 82 MET HA H 4.387 0.02 1 818 124 82 MET HB2 H 1.980 0.02 2 819 124 82 MET HB3 H 1.795 0.02 2 820 124 82 MET HG2 H 2.504 0.02 2 821 124 82 MET HG3 H 2.485 0.02 2 822 124 82 MET HE H 1.985 0.02 1 823 124 82 MET C C 176.368 0.2 1 824 124 82 MET CA C 55.145 0.2 1 825 124 82 MET CB C 34.893 0.2 1 826 124 82 MET CG C 32.643 0.2 1 827 124 82 MET CE C 17.205 0.2 1 828 124 82 MET N N 121.231 0.2 1 829 125 83 ASN H H 9.054 0.02 1 830 125 83 ASN HA H 4.083 0.02 1 831 125 83 ASN HB2 H 1.438 0.02 2 832 125 83 ASN HB3 H 1.907 0.02 2 833 125 83 ASN HD21 H 7.273 0.02 1 834 125 83 ASN HD22 H 7.733 0.02 1 835 125 83 ASN C C 176.545 0.2 1 836 125 83 ASN CA C 54.840 0.2 1 837 125 83 ASN CB C 36.576 0.2 1 838 125 83 ASN N N 114.547 0.2 1 839 125 83 ASN ND2 N 118.351 0.2 1 840 126 84 GLY H H 8.748 0.02 1 841 126 84 GLY HA2 H 3.684 0.02 2 842 126 84 GLY HA3 H 4.001 0.02 2 843 126 84 GLY C C 175.464 0.2 1 844 126 84 GLY CA C 45.663 0.2 1 845 126 84 GLY N N 107.037 0.2 1 846 127 85 GLY H H 7.365 0.02 1 847 127 85 GLY HA2 H 3.441 0.02 2 848 127 85 GLY HA3 H 4.385 0.02 2 849 127 85 GLY C C 171.704 0.2 1 850 127 85 GLY CA C 45.428 0.2 1 851 127 85 GLY N N 107.042 0.2 1 852 128 86 SER H H 8.397 0.02 1 853 128 86 SER HA H 4.703 0.02 1 854 128 86 SER HB2 H 3.793 0.02 2 855 128 86 SER HB3 H 3.774 0.02 2 856 128 86 SER C C 172.425 0.2 1 857 128 86 SER CA C 57.070 0.2 1 858 128 86 SER CB C 65.383 0.2 1 859 128 86 SER N N 114.614 0.2 1 860 129 87 CYS H H 8.878 0.02 1 861 129 87 CYS HA H 4.866 0.02 1 862 129 87 CYS HB2 H 3.162 0.02 2 863 129 87 CYS HB3 H 3.097 0.02 2 864 129 87 CYS C C 174.435 0.2 1 865 129 87 CYS CA C 56.255 0.2 1 866 129 87 CYS CB C 41.952 0.2 1 867 129 87 CYS N N 123.767 0.2 1 868 130 88 SER H H 8.742 0.02 1 869 130 88 SER HA H 4.486 0.02 1 870 130 88 SER HB2 H 3.522 0.02 2 871 130 88 SER HB3 H 3.535 0.02 2 872 130 88 SER C C 173.939 0.2 1 873 130 88 SER CA C 57.944 0.2 1 874 130 88 SER CB C 64.129 0.2 1 875 130 88 SER N N 122.794 0.2 1 876 131 89 ASP H H 9.071 0.02 1 877 131 89 ASP HA H 4.216 0.02 1 878 131 89 ASP HB2 H 2.673 0.02 2 879 131 89 ASP HB3 H 2.910 0.02 2 880 131 89 ASP C C 174.730 0.2 1 881 131 89 ASP CA C 56.662 0.2 1 882 131 89 ASP CB C 39.644 0.2 1 883 131 89 ASP N N 126.026 0.2 1 884 132 90 ASP H H 8.151 0.02 1 885 132 90 ASP HA H 4.359 0.02 1 886 132 90 ASP HB2 H 2.794 0.02 2 887 132 90 ASP HB3 H 2.796 0.02 2 888 132 90 ASP C C 174.251 0.2 1 889 132 90 ASP CA C 55.091 0.2 1 890 132 90 ASP CB C 40.130 0.2 1 891 132 90 ASP N N 115.253 0.2 1 892 133 91 HIS H H 7.842 0.02 1 893 133 91 HIS HA H 4.866 0.02 1 894 133 91 HIS HB2 H 3.236 0.02 2 895 133 91 HIS HB3 H 3.238 0.02 2 896 133 91 HIS HD2 H 7.216 0.02 1 897 133 91 HIS C C 172.607 0.2 1 898 133 91 HIS CA C 54.517 0.2 1 899 133 91 HIS CB C 31.022 0.2 1 900 133 91 HIS CD2 C 120.295 0.2 1 901 133 91 HIS N N 114.612 0.2 1 902 134 92 CYS H H 9.052 0.02 1 903 134 92 CYS HA H 4.899 0.02 1 904 134 92 CYS HB2 H 2.668 0.02 2 905 134 92 CYS HB3 H 2.766 0.02 2 906 134 92 CYS C C 174.085 0.2 1 907 134 92 CYS CA C 55.033 0.2 1 908 134 92 CYS CB C 41.933 0.2 1 909 134 92 CYS N N 118.197 0.2 1 910 135 93 LEU H H 9.269 0.02 1 911 135 93 LEU HA H 4.627 0.02 1 912 135 93 LEU HB2 H 1.648 0.02 2 913 135 93 LEU HB3 H 1.653 0.02 2 914 135 93 LEU HG H 1.543 0.02 1 915 135 93 LEU HD1 H 0.891 0.02 2 916 135 93 LEU HD2 H 0.883 0.02 2 917 135 93 LEU C C 176.765 0.2 1 918 135 93 LEU CA C 54.068 0.2 1 919 135 93 LEU CB C 41.197 0.2 1 920 135 93 LEU CG C 27.219 0.2 1 921 135 93 LEU CD1 C 24.867 0.2 2 922 135 93 LEU CD2 C 24.337 0.2 2 923 135 93 LEU N N 126.894 0.2 1 924 136 94 CYS H H 8.836 0.02 1 925 136 94 CYS HA H 4.794 0.02 1 926 136 94 CYS HB2 H 3.346 0.02 2 927 136 94 CYS HB3 H 2.672 0.02 2 928 136 94 CYS C C 176.721 0.2 1 929 136 94 CYS CA C 53.161 0.2 1 930 136 94 CYS CB C 37.407 0.2 1 931 136 94 CYS N N 123.327 0.2 1 932 137 95 GLN H H 8.632 0.02 1 933 137 95 GLN HA H 4.327 0.02 1 934 137 95 GLN HB2 H 2.360 0.02 2 935 137 95 GLN HB3 H 1.862 0.02 2 936 137 95 GLN HG2 H 2.318 0.02 2 937 137 95 GLN HG3 H 2.533 0.02 2 938 137 95 GLN HE21 H 6.927 0.02 1 939 137 95 GLN HE22 H 7.377 0.02 1 940 137 95 GLN C C 175.140 0.2 1 941 137 95 GLN CA C 55.707 0.2 1 942 137 95 GLN CB C 29.394 0.2 1 943 137 95 GLN CG C 33.785 0.2 1 944 137 95 GLN N N 121.025 0.2 1 945 137 95 GLN NE2 N 112.556 0.2 1 946 138 96 LYS H H 8.387 0.02 1 947 138 96 LYS HA H 4.038 0.02 1 948 138 96 LYS HB2 H 1.816 0.02 2 949 138 96 LYS HB3 H 1.769 0.02 2 950 138 96 LYS HG2 H 1.479 0.02 2 951 138 96 LYS HG3 H 1.402 0.02 2 952 138 96 LYS HD2 H 1.687 0.02 2 953 138 96 LYS HD3 H 1.688 0.02 2 954 138 96 LYS HE2 H 2.988 0.02 2 955 138 96 LYS HE3 H 2.990 0.02 2 956 138 96 LYS C C 177.174 0.2 1 957 138 96 LYS CA C 58.464 0.2 1 958 138 96 LYS CB C 32.237 0.2 1 959 138 96 LYS CG C 24.642 0.2 1 960 138 96 LYS CD C 29.289 0.2 1 961 138 96 LYS CE C 42.243 0.2 1 962 138 96 LYS N N 121.204 0.2 1 963 139 97 GLY H H 8.693 0.02 1 964 139 97 GLY HA2 H 3.461 0.02 2 965 139 97 GLY HA3 H 4.061 0.02 2 966 139 97 GLY C C 171.672 0.2 1 967 139 97 GLY CA C 44.615 0.2 1 968 139 97 GLY N N 113.126 0.2 1 969 140 98 TYR H H 7.750 0.02 1 970 140 98 TYR HA H 5.241 0.02 1 971 140 98 TYR HB2 H 2.771 0.02 2 972 140 98 TYR HB3 H 2.774 0.02 2 973 140 98 TYR HD1 H 6.683 0.02 3 974 140 98 TYR HD2 H 6.683 0.02 3 975 140 98 TYR HE1 H 6.663 0.02 3 976 140 98 TYR HE2 H 6.663 0.02 3 977 140 98 TYR C C 174.996 0.2 1 978 140 98 TYR CA C 57.361 0.2 1 979 140 98 TYR CB C 41.844 0.2 1 980 140 98 TYR CD1 C 133.697 0.2 3 981 140 98 TYR CD2 C 133.697 0.2 3 982 140 98 TYR CE1 C 117.649 0.2 3 983 140 98 TYR CE2 C 117.649 0.2 3 984 140 98 TYR N N 116.400 0.2 1 985 141 99 ILE H H 9.151 0.02 1 986 141 99 ILE HA H 4.754 0.02 1 987 141 99 ILE HB H 1.947 0.02 1 988 141 99 ILE HG12 H 1.244 0.02 2 989 141 99 ILE HG13 H 0.975 0.02 2 990 141 99 ILE HG2 H 0.778 0.02 1 991 141 99 ILE HD1 H 0.767 0.02 1 992 141 99 ILE C C 175.049 0.2 1 993 141 99 ILE CA C 60.111 0.2 1 994 141 99 ILE CB C 42.895 0.2 1 995 141 99 ILE CG1 C 25.623 0.2 1 996 141 99 ILE CG2 C 17.456 0.2 1 997 141 99 ILE CD1 C 13.946 0.2 1 998 141 99 ILE N N 116.444 0.2 1 999 142 100 GLY H H 7.877 0.02 1 1000 142 100 GLY HA2 H 3.866 0.02 2 1001 142 100 GLY HA3 H 4.930 0.02 2 1002 142 100 GLY C C 177.370 0.2 1 1003 142 100 GLY CA C 43.607 0.2 1 1004 142 100 GLY N N 106.147 0.2 1 1005 143 101 THR H H 8.723 0.02 1 1006 143 101 THR HA H 3.811 0.02 1 1007 143 101 THR HB H 3.811 0.02 1 1008 143 101 THR HG2 H 0.967 0.02 1 1009 143 101 THR C C 174.808 0.2 1 1010 143 101 THR CA C 65.959 0.2 1 1011 143 101 THR CB C 69.012 0.2 1 1012 143 101 THR CG2 C 21.861 0.2 1 1013 143 101 THR N N 118.423 0.2 1 1014 144 102 HIS H H 7.981 0.02 1 1015 144 102 HIS HA H 5.310 0.02 1 1016 144 102 HIS HB2 H 3.552 0.02 2 1017 144 102 HIS HB3 H 2.898 0.02 2 1018 144 102 HIS HD2 H 7.252 0.02 1 1019 144 102 HIS C C 174.987 0.2 1 1020 144 102 HIS CA C 54.126 0.2 1 1021 144 102 HIS CB C 28.865 0.2 1 1022 144 102 HIS CD2 C 120.069 0.2 1 1023 145 103 CYS H H 7.886 0.02 1 1024 145 103 CYS HA H 4.054 0.02 1 1025 145 103 CYS HB2 H 3.126 0.02 2 1026 145 103 CYS HB3 H 3.432 0.02 2 1027 145 103 CYS C C 174.984 0.2 1 1028 145 103 CYS CA C 54.921 0.2 1 1029 145 103 CYS CB C 36.362 0.2 1 1030 145 103 CYS N N 113.106 0.2 1 1031 146 104 GLY H H 8.640 0.02 1 1032 146 104 GLY HA2 H 3.765 0.02 2 1033 146 104 GLY HA3 H 3.890 0.02 2 1034 146 104 GLY C C 174.007 0.2 1 1035 146 104 GLY CA C 45.981 0.2 1 1036 146 104 GLY N N 104.510 0.2 1 1037 147 105 GLN H H 8.342 0.02 1 1038 147 105 GLN HA H 5.083 0.02 1 1039 147 105 GLN HB2 H 1.919 0.02 2 1040 147 105 GLN HB3 H 1.991 0.02 2 1041 147 105 GLN HG2 H 2.252 0.02 2 1042 147 105 GLN HG3 H 2.248 0.02 2 1043 147 105 GLN HE21 H 7.291 0.02 1 1044 147 105 GLN HE22 H 6.684 0.02 1 1045 147 105 GLN C C 172.571 0.2 1 1046 147 105 GLN CA C 52.158 0.2 1 1047 147 105 GLN CB C 30.588 0.2 1 1048 147 105 GLN CG C 33.471 0.2 1 1049 147 105 GLN N N 121.563 0.2 1 1050 147 105 GLN NE2 N 111.190 0.2 1 1051 148 106 PRO HA H 4.699 0.02 1 1052 148 106 PRO HB2 H 1.288 0.02 2 1053 148 106 PRO HB3 H 1.531 0.02 2 1054 148 106 PRO HG2 H 1.637 0.02 2 1055 148 106 PRO HG3 H 1.632 0.02 2 1056 148 106 PRO HD2 H 3.902 0.02 2 1057 148 106 PRO HD3 H 3.905 0.02 2 1058 148 106 PRO C C 175.813 0.2 1 1059 148 106 PRO CA C 61.636 0.2 1 1060 148 106 PRO CB C 31.454 0.2 1 1061 148 106 PRO CG C 27.013 0.2 1 1062 148 106 PRO CD C 50.662 0.2 1 1063 149 107 VAL H H 8.092 0.02 1 1064 149 107 VAL HA H 3.936 0.02 1 1065 149 107 VAL HB H 1.634 0.02 1 1066 149 107 VAL HG1 H 0.737 0.02 2 1067 149 107 VAL HG2 H 0.734 0.02 2 1068 149 107 VAL C C 176.072 0.2 1 1069 149 107 VAL CA C 62.233 0.2 1 1070 149 107 VAL CB C 33.453 0.2 1 1071 149 107 VAL CG1 C 20.926 0.2 2 1072 149 107 VAL CG2 C 20.897 0.2 2 1073 149 107 VAL N N 120.189 0.2 1 1074 150 108 CYS H H 8.831 0.02 1 1075 150 108 CYS HA H 5.089 0.02 1 1076 150 108 CYS HB2 H 3.013 0.02 2 1077 150 108 CYS HB3 H 2.752 0.02 2 1078 150 108 CYS C C 175.242 0.2 1 1079 150 108 CYS CA C 58.959 0.2 1 1080 150 108 CYS CB C 37.184 0.2 1 1081 150 108 CYS N N 128.487 0.2 1 1082 151 109 GLU H H 8.973 0.02 1 1083 151 109 GLU HA H 3.821 0.02 1 1084 151 109 GLU HB2 H 2.000 0.02 2 1085 151 109 GLU HB3 H 2.001 0.02 2 1086 151 109 GLU HG2 H 2.217 0.02 2 1087 151 109 GLU HG3 H 2.361 0.02 2 1088 151 109 GLU C C 177.646 0.2 1 1089 151 109 GLU CA C 59.849 0.2 1 1090 151 109 GLU CB C 29.807 0.2 1 1091 151 109 GLU CG C 36.958 0.2 1 1092 151 109 GLU N N 125.375 0.2 1 1093 152 110 SER H H 8.655 0.02 1 1094 152 110 SER HA H 4.482 0.02 1 1095 152 110 SER HB2 H 3.881 0.02 2 1096 152 110 SER HB3 H 3.893 0.02 2 1097 152 110 SER C C 174.596 0.2 1 1098 152 110 SER CA C 58.451 0.2 1 1099 152 110 SER CB C 63.392 0.2 1 1100 152 110 SER N N 113.753 0.2 1 1101 153 111 GLY H H 7.675 0.02 1 1102 153 111 GLY HA2 H 3.705 0.02 2 1103 153 111 GLY HA3 H 4.037 0.02 2 1104 153 111 GLY C C 172.337 0.2 1 1105 153 111 GLY CA C 44.638 0.2 1 1106 153 111 GLY N N 108.607 0.2 1 1107 154 112 CYS H H 8.157 0.02 1 1108 154 112 CYS HA H 4.731 0.02 1 1109 154 112 CYS HB2 H 2.466 0.02 2 1110 154 112 CYS HB3 H 2.465 0.02 2 1111 154 112 CYS C C 174.207 0.2 1 1112 154 112 CYS CA C 53.150 0.2 1 1113 154 112 CYS CB C 38.943 0.2 1 1114 154 112 CYS N N 116.290 0.2 1 1115 155 113 LEU H H 8.379 0.02 1 1116 155 113 LEU HA H 4.288 0.02 1 1117 155 113 LEU HB2 H 1.782 0.02 2 1118 155 113 LEU HB3 H 1.369 0.02 2 1119 155 113 LEU HG H 1.645 0.02 1 1120 155 113 LEU HD1 H 0.803 0.02 2 1121 155 113 LEU HD2 H 0.793 0.02 2 1122 155 113 LEU C C 177.659 0.2 1 1123 155 113 LEU CA C 54.928 0.2 1 1124 155 113 LEU CB C 43.080 0.2 1 1125 155 113 LEU CG C 27.282 0.2 1 1126 155 113 LEU CD1 C 25.171 0.2 2 1127 155 113 LEU CD2 C 22.365 0.2 2 1128 155 113 LEU N N 123.235 0.2 1 1129 156 114 ASN H H 8.833 0.02 1 1130 156 114 ASN HA H 4.090 0.02 1 1131 156 114 ASN HB2 H 2.158 0.02 2 1132 156 114 ASN HB3 H 2.170 0.02 2 1133 156 114 ASN HD21 H 7.027 0.02 1 1134 156 114 ASN HD22 H 7.972 0.02 1 1135 156 114 ASN C C 175.418 0.2 1 1136 156 114 ASN CA C 58.242 0.2 1 1137 156 114 ASN CB C 37.050 0.2 1 1138 156 114 ASN N N 114.253 0.2 1 1139 156 114 ASN ND2 N 118.415 0.2 1 1140 157 115 GLY H H 8.488 0.02 1 1141 157 115 GLY HA2 H 3.633 0.02 2 1142 157 115 GLY HA3 H 4.066 0.02 2 1143 157 115 GLY C C 175.414 0.2 1 1144 157 115 GLY CA C 45.360 0.2 1 1145 157 115 GLY N N 105.345 0.2 1 1146 158 116 GLY H H 7.630 0.02 1 1147 158 116 GLY HA2 H 4.303 0.02 2 1148 158 116 GLY HA3 H 3.661 0.02 2 1149 158 116 GLY C C 171.614 0.2 1 1150 158 116 GLY CA C 45.331 0.2 1 1151 158 116 GLY N N 107.304 0.2 1 1152 159 117 ARG H H 8.252 0.02 1 1153 159 117 ARG HA H 4.628 0.02 1 1154 159 117 ARG HB2 H 1.692 0.02 2 1155 159 117 ARG HB3 H 1.689 0.02 2 1156 159 117 ARG HG2 H 1.535 0.02 2 1157 159 117 ARG HG3 H 1.539 0.02 2 1158 159 117 ARG HD2 H 3.167 0.02 2 1159 159 117 ARG HD3 H 3.162 0.02 2 1160 159 117 ARG C C 174.571 0.2 1 1161 159 117 ARG CA C 54.250 0.2 1 1162 159 117 ARG CB C 33.632 0.2 1 1163 159 117 ARG CG C 27.171 0.2 1 1164 159 117 ARG CD C 43.339 0.2 1 1165 159 117 ARG N N 117.721 0.2 1 1166 160 118 CYS H H 9.039 0.02 1 1167 160 118 CYS HA H 4.864 0.02 1 1168 160 118 CYS HB2 H 2.965 0.02 2 1169 160 118 CYS HB3 H 2.965 0.02 2 1170 160 118 CYS C C 175.249 0.2 1 1171 160 118 CYS CA C 56.616 0.2 1 1172 160 118 CYS CB C 39.133 0.2 1 1173 160 118 CYS N N 125.953 0.2 1 1174 161 119 VAL H H 8.623 0.02 1 1175 161 119 VAL HA H 4.524 0.02 1 1176 161 119 VAL HB H 2.333 0.02 1 1177 161 119 VAL HG1 H 0.926 0.02 2 1178 161 119 VAL HG2 H 0.780 0.02 2 1179 161 119 VAL C C 175.069 0.2 1 1180 161 119 VAL CA C 61.997 0.2 1 1181 161 119 VAL CB C 33.467 0.2 1 1182 161 119 VAL CG1 C 22.149 0.2 2 1183 161 119 VAL CG2 C 18.095 0.2 2 1184 161 119 VAL N N 122.224 0.2 1 1185 162 120 ALA H H 8.675 0.02 1 1186 162 120 ALA HA H 4.313 0.02 1 1187 162 120 ALA HB H 1.406 0.02 1 1188 162 120 ALA C C 171.981 0.2 1 1189 162 120 ALA CA C 50.856 0.2 1 1190 162 120 ALA CB C 18.487 0.2 1 1191 162 120 ALA N N 126.725 0.2 1 1192 163 121 PRO HA H 4.234 0.02 1 1193 163 121 PRO HB2 H 2.151 0.02 2 1194 163 121 PRO HB3 H 1.819 0.02 2 1195 163 121 PRO HG2 H 1.234 0.02 2 1196 163 121 PRO HG3 H 1.912 0.02 2 1197 163 121 PRO HD2 H 3.489 0.02 2 1198 163 121 PRO HD3 H 3.448 0.02 2 1199 163 121 PRO C C 176.919 0.2 1 1200 163 121 PRO CA C 64.889 0.2 1 1201 163 121 PRO CB C 31.160 0.2 1 1202 163 121 PRO CG C 28.230 0.2 1 1203 163 121 PRO CD C 49.996 0.2 1 1204 164 122 ASN H H 9.077 0.02 1 1205 164 122 ASN HA H 4.464 0.02 1 1206 164 122 ASN HB2 H 3.156 0.02 2 1207 164 122 ASN HB3 H 2.834 0.02 2 1208 164 122 ASN HD21 H 7.087 0.02 1 1209 164 122 ASN HD22 H 7.481 0.02 1 1210 164 122 ASN C C 173.175 0.2 1 1211 164 122 ASN CA C 54.848 0.2 1 1212 164 122 ASN CB C 37.875 0.2 1 1213 164 122 ASN N N 121.392 0.2 1 1214 164 122 ASN ND2 N 113.115 0.2 1 1215 165 123 ARG H H 8.375 0.02 1 1216 165 123 ARG HA H 4.597 0.02 1 1217 165 123 ARG HB2 H 1.411 0.02 2 1218 165 123 ARG HB3 H 1.549 0.02 2 1219 165 123 ARG HG2 H 1.413 0.02 2 1220 165 123 ARG HG3 H 1.483 0.02 2 1221 165 123 ARG HD2 H 3.140 0.02 2 1222 165 123 ARG HD3 H 3.124 0.02 2 1223 165 123 ARG C C 173.647 0.2 1 1224 165 123 ARG CA C 55.934 0.2 1 1225 165 123 ARG CB C 32.783 0.2 1 1226 165 123 ARG CG C 27.058 0.2 1 1227 165 123 ARG CD C 43.198 0.2 1 1228 165 123 ARG N N 121.333 0.2 1 1229 166 124 CYS H H 8.775 0.02 1 1230 166 124 CYS HA H 5.302 0.02 1 1231 166 124 CYS HB2 H 2.770 0.02 2 1232 166 124 CYS HB3 H 2.615 0.02 2 1233 166 124 CYS C C 174.802 0.2 1 1234 166 124 CYS CA C 54.141 0.2 1 1235 166 124 CYS CB C 43.034 0.2 1 1236 166 124 CYS N N 124.138 0.2 1 1237 167 125 ALA H H 9.575 0.02 1 1238 167 125 ALA HA H 4.716 0.02 1 1239 167 125 ALA HB H 1.398 0.02 1 1240 167 125 ALA C C 177.314 0.2 1 1241 167 125 ALA CA C 51.429 0.2 1 1242 167 125 ALA CB C 20.381 0.2 1 1243 167 125 ALA N N 126.443 0.2 1 1244 168 126 CYS H H 8.770 0.02 1 1245 168 126 CYS HA H 4.913 0.02 1 1246 168 126 CYS HB2 H 3.357 0.02 2 1247 168 126 CYS HB3 H 2.733 0.02 2 1248 168 126 CYS C C 175.781 0.2 1 1249 168 126 CYS CA C 53.461 0.2 1 1250 168 126 CYS CB C 39.146 0.2 1 1251 168 126 CYS N N 122.002 0.2 1 1252 169 127 THR H H 8.607 0.02 1 1253 169 127 THR HA H 4.349 0.02 1 1254 169 127 THR HB H 4.349 0.02 1 1255 169 127 THR HG2 H 1.177 0.02 1 1256 169 127 THR C C 174.059 0.2 1 1257 169 127 THR CA C 62.077 0.2 1 1258 169 127 THR CB C 69.831 0.2 1 1259 169 127 THR CG2 C 22.150 0.2 1 1260 169 127 THR N N 115.216 0.2 1 1261 170 128 TYR H H 8.241 0.02 1 1262 170 128 TYR HA H 4.226 0.02 1 1263 170 128 TYR HB2 H 3.096 0.02 2 1264 170 128 TYR HB3 H 2.940 0.02 2 1265 170 128 TYR HD1 H 7.104 0.02 3 1266 170 128 TYR HD2 H 7.104 0.02 3 1267 170 128 TYR HE1 H 6.820 0.02 3 1268 170 128 TYR HE2 H 6.820 0.02 3 1269 170 128 TYR C C 176.466 0.2 1 1270 170 128 TYR CA C 60.008 0.2 1 1271 170 128 TYR CB C 38.112 0.2 1 1272 170 128 TYR CD1 C 132.787 0.2 3 1273 170 128 TYR CD2 C 132.787 0.2 3 1274 170 128 TYR N N 119.550 0.2 1 1275 171 129 GLY H H 8.118 0.02 1 1276 171 129 GLY HA2 H 3.795 0.02 2 1277 171 129 GLY HA3 H 3.241 0.02 2 1278 171 129 GLY C C 173.537 0.2 1 1279 171 129 GLY CA C 44.554 0.2 1 1280 171 129 GLY N N 112.596 0.2 1 1281 172 130 PHE H H 7.647 0.02 1 1282 172 130 PHE HA H 4.717 0.02 1 1283 172 130 PHE HB2 H 2.922 0.02 2 1284 172 130 PHE HB3 H 2.923 0.02 2 1285 172 130 PHE HD1 H 7.197 0.02 3 1286 172 130 PHE HD2 H 7.197 0.02 3 1287 172 130 PHE HE1 H 7.258 0.02 3 1288 172 130 PHE HE2 H 7.258 0.02 3 1289 172 130 PHE HZ H 7.210 0.02 1 1290 172 130 PHE C C 175.612 0.2 1 1291 172 130 PHE CA C 58.048 0.2 1 1292 172 130 PHE CB C 40.221 0.2 1 1293 172 130 PHE CD1 C 132.770 0.2 3 1294 172 130 PHE CD2 C 132.770 0.2 3 1295 172 130 PHE CE1 C 131.157 0.2 3 1296 172 130 PHE CE2 C 131.157 0.2 3 1297 172 130 PHE CZ C 129.488 0.2 1 1298 172 130 PHE N N 120.428 0.2 1 1299 173 131 THR HA H 4.774 0.02 1 1300 173 131 THR HB H 4.179 0.02 1 1301 173 131 THR HG2 H 1.058 0.02 1 1302 173 131 THR C C 174.633 0.2 1 1303 173 131 THR CA C 61.140 0.2 1 1304 173 131 THR CB C 71.336 0.2 1 1305 173 131 THR CG2 C 20.838 0.2 1 1306 174 132 GLY H H 8.299 0.02 1 1307 174 132 GLY HA2 H 4.370 0.02 2 1308 174 132 GLY HA3 H 4.060 0.02 2 1309 174 132 GLY C C 172.857 0.2 1 1310 174 132 GLY CA C 45.075 0.2 1 1311 174 132 GLY N N 109.561 0.2 1 1312 175 133 PRO HA H 4.388 0.02 1 1313 175 133 PRO HB2 H 2.350 0.02 2 1314 175 133 PRO HB3 H 2.001 0.02 2 1315 175 133 PRO HG2 H 2.081 0.02 2 1316 175 133 PRO HG3 H 2.096 0.02 2 1317 175 133 PRO HD2 H 3.816 0.02 2 1318 175 133 PRO HD3 H 3.624 0.02 2 1319 175 133 PRO C C 177.522 0.2 1 1320 175 133 PRO CA C 64.935 0.2 1 1321 175 133 PRO CB C 31.947 0.2 1 1322 175 133 PRO CG C 27.439 0.2 1 1323 175 133 PRO CD C 49.718 0.2 1 1324 176 134 GLN H H 8.690 0.02 1 1325 176 134 GLN HA H 4.676 0.02 1 1326 176 134 GLN HB2 H 2.214 0.02 2 1327 176 134 GLN HB3 H 1.994 0.02 2 1328 176 134 GLN HG2 H 2.327 0.02 2 1329 176 134 GLN HG3 H 2.215 0.02 2 1330 176 134 GLN HE21 H 6.736 0.02 1 1331 176 134 GLN HE22 H 7.456 0.02 1 1332 176 134 GLN C C 175.022 0.2 1 1333 176 134 GLN CA C 55.401 0.2 1 1334 176 134 GLN CB C 29.964 0.2 1 1335 176 134 GLN CG C 34.903 0.2 1 1336 176 134 GLN N N 115.277 0.2 1 1337 176 134 GLN NE2 N 111.950 0.2 1 1338 177 135 CYS H H 7.848 0.02 1 1339 177 135 CYS HA H 4.447 0.02 1 1340 177 135 CYS C C 172.824 0.2 1 1341 177 135 CYS CA C 54.070 0.2 1 1342 177 135 CYS N N 113.230 0.2 1 1343 178 136 GLU H H 7.994 0.02 1 1344 178 136 GLU HA H 4.072 0.02 1 1345 178 136 GLU HB2 H 2.040 0.02 2 1346 178 136 GLU HB3 H 1.883 0.02 2 1347 178 136 GLU HG2 H 2.192 0.02 2 1348 178 136 GLU HG3 H 2.198 0.02 2 1349 178 136 GLU C C 181.042 0.2 1 1350 178 136 GLU CA C 58.376 0.2 1 1351 178 136 GLU CB C 31.604 0.2 1 1352 178 136 GLU CG C 37.040 0.2 1 1353 178 136 GLU N N 124.744 0.2 1 stop_ save_