data_11065 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the 4.1R FERM alpha lobe domain ; _BMRB_accession_number 11065 _BMRB_flat_file_name bmr11065.str _Entry_type original _Submission_date 2009-01-09 _Accession_date 2009-01-14 _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 Kusunoki Hideki . . 2 Kohno Toshiyuki . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 649 "13C chemical shifts" 489 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2009-05-05 update BMRB 'complete entry citation' 2009-04-23 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure and glycophorin C binding studies of the 4.1R FERM alpha-lobe domain ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 19338061 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kusunoki Hideki . . 2 Kohno Toshiyuki . . stop_ _Journal_abbreviation Proteins _Journal_name_full 'Proteins: Structure, Function, and Bioinformatics' _Journal_volume 76 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 255 _Page_last 260 _Year 2009 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name '4.1R FERM alpha-lobe domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label '4.1R FERM alpha-lobe domain' $entity stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common '4.1R FERM alpha-lobe domain' _Molecular_mass 12420.137 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 109 _Mol_residue_sequence ; GSHMDPAQLTEDITRYYLCL QLRQDIVAGRLPCSFATLAL LGSYTIQSELGDYDPELHGV DYVSDFKLAPNQTKELEEKV MELHKSYRSMTPAQADLEFL ENAKKLSMY ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 79 GLY 2 80 SER 3 81 HIS 4 82 MET 5 83 ASP 6 84 PRO 7 85 ALA 8 86 GLN 9 87 LEU 10 88 THR 11 89 GLU 12 90 ASP 13 91 ILE 14 92 THR 15 93 ARG 16 94 TYR 17 95 TYR 18 96 LEU 19 97 CYS 20 98 LEU 21 99 GLN 22 100 LEU 23 101 ARG 24 102 GLN 25 103 ASP 26 104 ILE 27 105 VAL 28 106 ALA 29 107 GLY 30 108 ARG 31 109 LEU 32 110 PRO 33 111 CYS 34 112 SER 35 113 PHE 36 114 ALA 37 115 THR 38 116 LEU 39 117 ALA 40 118 LEU 41 119 LEU 42 120 GLY 43 121 SER 44 122 TYR 45 123 THR 46 124 ILE 47 125 GLN 48 126 SER 49 127 GLU 50 128 LEU 51 129 GLY 52 130 ASP 53 131 TYR 54 132 ASP 55 133 PRO 56 134 GLU 57 135 LEU 58 136 HIS 59 137 GLY 60 138 VAL 61 139 ASP 62 140 TYR 63 141 VAL 64 142 SER 65 143 ASP 66 144 PHE 67 145 LYS 68 146 LEU 69 147 ALA 70 148 PRO 71 149 ASN 72 150 GLN 73 151 THR 74 152 LYS 75 153 GLU 76 154 LEU 77 155 GLU 78 156 GLU 79 157 LYS 80 158 VAL 81 159 MET 82 160 GLU 83 161 LEU 84 162 HIS 85 163 LYS 86 164 SER 87 165 TYR 88 166 ARG 89 167 SER 90 168 MET 91 169 THR 92 170 PRO 93 171 ALA 94 172 GLN 95 173 ALA 96 174 ASP 97 175 LEU 98 176 GLU 99 177 PHE 100 178 LEU 101 179 GLU 102 180 ASN 103 181 ALA 104 182 LYS 105 183 LYS 106 184 LEU 107 185 SER 108 186 MET 109 187 TYR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-13 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 1GG3 "Crystal Structure Of The Protein 4.1r Membrane Binding Domain" 96.33 279 100.00 100.00 6.81e-68 PDB 2RQ1 "Solution Structure Of The 4.1r Ferm Alpha Lobe Domain" 99.08 109 100.00 100.00 1.01e-72 PDB 3QIJ "Primitive-Monoclinic Crystal Structure Of The Ferm Domain Of Protein 4.1r" 96.33 296 100.00 100.00 1.13e-67 DBJ BAD90280 "mKIAA4056 protein [Mus musculus]" 96.33 844 99.05 100.00 1.03e-64 DBJ BAD92886 "Protein 4.1 variant [Homo sapiens]" 96.33 827 99.05 99.05 5.55e-64 DBJ BAE27807 "unnamed protein product [Mus musculus]" 96.33 476 99.05 100.00 2.62e-66 DBJ BAE28045 "unnamed protein product [Mus musculus]" 96.33 476 99.05 100.00 2.62e-66 DBJ BAG84710 "erythrocyte protein band 4.1 [Mus musculus]" 96.33 823 99.05 100.00 8.84e-65 EMBL CDR98361 "Protein 4.1R, partial [Mus musculus]" 96.33 765 99.05 100.00 1.71e-64 EMBL CDR98362 "Protein 4.1R, partial [Mus musculus]" 96.33 615 99.05 100.00 2.79e-65 GB AAA35793 "erythroid protein 4.1 isoform A [Homo sapiens]" 96.33 775 100.00 100.00 1.91e-65 GB AAA35794 "erythroid protein 4.1 isoform B [Homo sapiens]" 96.33 566 100.00 100.00 2.03e-66 GB AAA35795 "4.1 protein [Homo sapiens]" 96.33 588 100.00 100.00 6.63e-66 GB AAA35797 "erythroid membrane protein 4.1 [Homo sapiens]" 96.33 641 100.00 100.00 1.02e-65 GB AAA37122 "protein 4.1, partial [Mus musculus domesticus]" 96.33 700 99.05 100.00 6.98e-65 REF NP_001003362 "protein 4.1 [Canis lupus familiaris]" 96.33 810 97.14 99.05 1.54e-63 REF NP_001122078 "protein 4.1 isoform 2 [Mus musculus]" 96.33 804 99.05 100.00 1.05e-64 REF NP_001122079 "protein 4.1 isoform 3 [Mus musculus]" 96.33 594 99.05 100.00 2.02e-65 REF NP_001159477 "protein 4.1 isoform 1 [Homo sapiens]" 96.33 864 100.00 100.00 4.48e-65 REF NP_001159478 "protein 4.1 isoform 3 [Homo sapiens]" 96.33 720 100.00 100.00 2.62e-65 SP P11171 "RecName: Full=Protein 4.1; Short=P4.1; AltName: Full=4.1R; AltName: Full=Band 4.1; AltName: Full=EPB4.1" 96.33 864 100.00 100.00 4.48e-65 SP P48193 "RecName: Full=Protein 4.1; Short=P4.1; AltName: Full=4.1R; AltName: Full=Band 4.1" 96.33 858 99.05 100.00 1.06e-64 SP Q6Q7P4 "RecName: Full=Protein 4.1; Short=P4.1; AltName: Full=4.1R; AltName: Full=Band 4.1" 96.33 810 97.14 99.05 1.54e-63 SP Q9N179 "RecName: Full=Protein 4.1; Short=P4.1; AltName: Full=4.1R; AltName: Full=Band 4.1" 96.33 617 98.10 99.05 1.16e-64 TPG DAA32059 "TPA: protein 4.1 [Bos taurus]" 96.33 566 98.10 99.05 7.21e-65 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity 'recombinant technology' . Escherichia coli . plasmid pET15b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.12 0.8 'natural abundance' NaCl 45 mM . . . D2O 100 % . . . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.12 0.8 '[U-98% 15N]' NaCl 45 mM . . . H2O 90 % . . . D2O 10 % . . . stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.12 0.8 '[U-98% 13C; U-98% 15N]' NaCl 45 mM . . . H2O 90 % . . . D2O 10 % . . . stop_ save_ save_sample_4 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $entity . mM 0.12 0.8 '[U-98% 13C; U-98% 15N]' NaCl 45 mM . . . D2O 100 % . . . stop_ save_ save_sample_5 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 0.48 mM '[U-10% 13C; U-98% 15N]' NaCl 45 mM . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version 1.1 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'NOE collection' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_2 save_ save_3D_1H-13C_NOESY_No1_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY No1' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_No2_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY No2' _Sample_label $sample_4 save_ save_2D_1H-15N_HSQC_No1_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC No1' _Sample_label $sample_2 save_ save_2D_1H-15N_HSQC_No2_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC No2' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_No1_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC No1' _Sample_label $sample_3 save_ save_2D_1H-13C_HSQC_No2_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC No2' _Sample_label $sample_5 save_ save_2D_1H-1H_TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCO_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_3 save_ save_3D_HNCA_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HNCACB_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_H(CCO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_No1_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY No1' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_No2_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY No2' _Sample_label $sample_4 save_ save_3D_HNHA_18 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_3 save_ save_3D_HNHB_19 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_3 save_ save_3D_HN(CO)CA_20 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_3 save_ save_3D_HN(CA)CO_21 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_3 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 45 . mM pH 6.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-1H NOESY' '3D 1H-15N NOESY' '3D 1H-13C NOESY No1' '3D 1H-13C NOESY No2' '2D 1H-15N HSQC No1' '2D 1H-15N HSQC No2' '2D 1H-13C HSQC No1' '2D 1H-13C HSQC No2' '2D 1H-1H TOCSY' '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCA' '3D HNCACB' '3D H(CCO)NH' '3D HCCH-TOCSY No1' '3D HCCH-TOCSY No2' '3D HNHA' '3D HNHB' '3D HN(CO)CA' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 $sample_4 $sample_5 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name '4.1R FERM alpha-lobe domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 79 1 GLY HA2 H 3.879 0.020 2 2 79 1 GLY HA3 H 3.879 0.020 2 3 79 1 GLY CA C 43.287 0.300 1 4 80 2 SER HA H 4.477 0.020 1 5 80 2 SER HB2 H 3.826 0.020 2 6 80 2 SER HB3 H 3.826 0.020 2 7 80 2 SER CA C 58.344 0.300 1 8 80 2 SER CB C 64.002 0.300 1 9 81 3 HIS HA H 4.614 0.020 1 10 81 3 HIS HB2 H 3.048 0.020 2 11 81 3 HIS HB3 H 3.118 0.020 2 12 81 3 HIS HD2 H 7.083 0.020 1 13 81 3 HIS C C 174.681 0.300 1 14 81 3 HIS CA C 56.231 0.300 1 15 81 3 HIS CB C 29.839 0.300 1 16 81 3 HIS CD2 C 119.836 0.300 1 17 82 4 MET H H 8.285 0.020 1 18 82 4 MET HA H 4.416 0.020 1 19 82 4 MET HB2 H 1.884 0.020 2 20 82 4 MET HB3 H 1.978 0.020 2 21 82 4 MET HE H 2.034 0.020 1 22 82 4 MET HG2 H 2.439 0.020 2 23 82 4 MET HG3 H 2.407 0.020 2 24 82 4 MET C C 175.286 0.300 1 25 82 4 MET CA C 55.165 0.300 1 26 82 4 MET CB C 32.988 0.300 1 27 82 4 MET CE C 17.007 0.300 1 28 82 4 MET CG C 31.815 0.300 1 29 82 4 MET N N 121.559 0.300 1 30 83 5 ASP H H 8.362 0.020 1 31 83 5 ASP HA H 4.844 0.020 1 32 83 5 ASP HB2 H 2.775 0.020 2 33 83 5 ASP HB3 H 2.598 0.020 2 34 83 5 ASP C C 175.239 0.300 1 35 83 5 ASP CA C 52.238 0.300 1 36 83 5 ASP CB C 41.471 0.300 1 37 83 5 ASP N N 124.060 0.300 1 38 84 6 PRO HA H 4.327 0.020 1 39 84 6 PRO HB2 H 2.306 0.020 2 40 84 6 PRO HB3 H 1.979 0.020 2 41 84 6 PRO HD2 H 3.924 0.020 2 42 84 6 PRO HD3 H 3.844 0.020 2 43 84 6 PRO HG2 H 2.028 0.020 2 44 84 6 PRO HG3 H 2.028 0.020 2 45 84 6 PRO C C 177.388 0.300 1 46 84 6 PRO CA C 64.084 0.300 1 47 84 6 PRO CB C 32.022 0.300 1 48 84 6 PRO CD C 50.927 0.300 1 49 84 6 PRO CG C 27.315 0.300 1 50 85 7 ALA H H 8.406 0.020 1 51 85 7 ALA HA H 4.239 0.020 1 52 85 7 ALA HB H 1.404 0.020 1 53 85 7 ALA C C 178.462 0.300 1 54 85 7 ALA CA C 53.223 0.300 1 55 85 7 ALA CB C 18.801 0.300 1 56 85 7 ALA N N 121.868 0.300 1 57 86 8 GLN H H 7.985 0.020 1 58 86 8 GLN HA H 4.264 0.020 1 59 86 8 GLN HB2 H 2.158 0.020 2 60 86 8 GLN HB3 H 2.048 0.020 2 61 86 8 GLN HE21 H 6.830 0.020 2 62 86 8 GLN HE22 H 7.667 0.020 2 63 86 8 GLN HG2 H 2.365 0.020 2 64 86 8 GLN HG3 H 2.365 0.020 2 65 86 8 GLN C C 176.124 0.300 1 66 86 8 GLN CA C 56.101 0.300 1 67 86 8 GLN CB C 29.456 0.300 1 68 86 8 GLN CG C 34.066 0.300 1 69 86 8 GLN N N 117.727 0.300 1 70 86 8 GLN NE2 N 112.854 0.300 1 71 87 9 LEU H H 8.102 0.020 1 72 87 9 LEU HA H 4.394 0.020 1 73 87 9 LEU HB2 H 1.715 0.020 2 74 87 9 LEU HB3 H 1.618 0.020 2 75 87 9 LEU HD1 H 0.924 0.020 2 76 87 9 LEU HD2 H 0.881 0.020 2 77 87 9 LEU HG H 1.675 0.020 1 78 87 9 LEU C C 177.923 0.300 1 79 87 9 LEU CA C 55.454 0.300 1 80 87 9 LEU CB C 42.188 0.300 1 81 87 9 LEU CD1 C 25.016 0.300 1 82 87 9 LEU CD2 C 23.444 0.300 1 83 87 9 LEU CG C 26.874 0.300 1 84 87 9 LEU N N 122.045 0.300 1 85 88 10 THR H H 7.902 0.020 1 86 88 10 THR HA H 4.258 0.020 1 87 88 10 THR HB H 4.348 0.020 1 88 88 10 THR HG2 H 1.231 0.020 1 89 88 10 THR C C 175.742 0.300 1 90 88 10 THR CA C 62.974 0.300 1 91 88 10 THR CB C 69.759 0.300 1 92 88 10 THR CG2 C 21.778 0.300 1 93 88 10 THR N N 113.859 0.300 1 94 89 11 GLU H H 8.594 0.020 1 95 89 11 GLU HA H 4.213 0.020 1 96 89 11 GLU HB2 H 2.064 0.020 2 97 89 11 GLU HB3 H 2.064 0.020 2 98 89 11 GLU HG2 H 2.311 0.020 2 99 89 11 GLU HG3 H 2.311 0.020 2 100 89 11 GLU C C 177.577 0.300 1 101 89 11 GLU CA C 58.496 0.300 1 102 89 11 GLU CB C 29.751 0.300 1 103 89 11 GLU CG C 36.238 0.300 1 104 89 11 GLU N N 122.144 0.300 1 105 90 12 ASP H H 8.244 0.020 1 106 90 12 ASP HA H 4.419 0.020 1 107 90 12 ASP HB2 H 2.699 0.020 2 108 90 12 ASP HB3 H 2.699 0.020 2 109 90 12 ASP C C 178.623 0.300 1 110 90 12 ASP CA C 56.589 0.300 1 111 90 12 ASP CB C 40.332 0.300 1 112 90 12 ASP N N 119.922 0.300 1 113 91 13 ILE H H 8.092 0.020 1 114 91 13 ILE HA H 3.987 0.020 1 115 91 13 ILE HB H 1.960 0.020 1 116 91 13 ILE HD1 H 0.838 0.020 1 117 91 13 ILE HG12 H 1.216 0.020 2 118 91 13 ILE HG13 H 1.525 0.020 2 119 91 13 ILE HG2 H 1.000 0.020 1 120 91 13 ILE C C 177.124 0.300 1 121 91 13 ILE CA C 63.562 0.300 1 122 91 13 ILE CB C 37.830 0.300 1 123 91 13 ILE CD1 C 12.962 0.300 1 124 91 13 ILE CG1 C 28.418 0.300 1 125 91 13 ILE CG2 C 18.035 0.300 1 126 91 13 ILE N N 122.909 0.300 1 127 92 14 THR H H 8.045 0.020 1 128 92 14 THR HA H 4.040 0.020 1 129 92 14 THR HB H 4.293 0.020 1 130 92 14 THR HG2 H 1.288 0.020 1 131 92 14 THR C C 177.358 0.300 1 132 92 14 THR CA C 66.244 0.300 1 133 92 14 THR CB C 68.629 0.300 1 134 92 14 THR CG2 C 21.978 0.300 1 135 92 14 THR N N 116.529 0.300 1 136 93 15 ARG H H 7.984 0.020 1 137 93 15 ARG HA H 3.974 0.020 1 138 93 15 ARG HB2 H 2.022 0.020 2 139 93 15 ARG HB3 H 1.771 0.020 2 140 93 15 ARG HD2 H 3.237 0.020 2 141 93 15 ARG HD3 H 3.092 0.020 2 142 93 15 ARG HE H 6.703 0.020 1 143 93 15 ARG HG2 H 1.488 0.020 2 144 93 15 ARG HG3 H 1.488 0.020 2 145 93 15 ARG C C 177.719 0.300 1 146 93 15 ARG CA C 60.312 0.300 1 147 93 15 ARG CB C 30.591 0.300 1 148 93 15 ARG CD C 43.942 0.300 1 149 93 15 ARG CG C 29.183 0.300 1 150 93 15 ARG N N 121.521 0.300 1 151 94 16 TYR H H 7.948 0.020 1 152 94 16 TYR HA H 4.045 0.020 1 153 94 16 TYR HB2 H 3.139 0.020 2 154 94 16 TYR HB3 H 3.026 0.020 2 155 94 16 TYR HD1 H 6.724 0.020 1 156 94 16 TYR HD2 H 6.724 0.020 1 157 94 16 TYR HE1 H 6.578 0.020 1 158 94 16 TYR HE2 H 6.578 0.020 1 159 94 16 TYR C C 177.690 0.300 1 160 94 16 TYR CA C 61.568 0.300 1 161 94 16 TYR CB C 37.543 0.300 1 162 94 16 TYR CD1 C 133.076 0.300 1 163 94 16 TYR CD2 C 133.076 0.300 1 164 94 16 TYR CE1 C 117.927 0.300 1 165 94 16 TYR CE2 C 117.927 0.300 1 166 94 16 TYR N N 120.911 0.300 1 167 95 17 TYR H H 8.143 0.020 1 168 95 17 TYR HA H 4.049 0.020 1 169 95 17 TYR HB2 H 3.134 0.020 2 170 95 17 TYR HB3 H 3.026 0.020 2 171 95 17 TYR HD1 H 7.249 0.020 1 172 95 17 TYR HD2 H 7.249 0.020 1 173 95 17 TYR HE1 H 6.878 0.020 1 174 95 17 TYR HE2 H 6.878 0.020 1 175 95 17 TYR C C 179.000 0.300 1 176 95 17 TYR CA C 61.454 0.300 1 177 95 17 TYR CB C 37.483 0.300 1 178 95 17 TYR CD1 C 132.321 0.300 1 179 95 17 TYR CD2 C 132.321 0.300 1 180 95 17 TYR CE1 C 118.124 0.300 1 181 95 17 TYR CE2 C 118.124 0.300 1 182 95 17 TYR N N 117.066 0.300 1 183 96 18 LEU H H 7.976 0.020 1 184 96 18 LEU HA H 4.203 0.020 1 185 96 18 LEU HB2 H 1.701 0.020 2 186 96 18 LEU HB3 H 1.739 0.020 2 187 96 18 LEU HD1 H 0.774 0.020 2 188 96 18 LEU HD2 H 0.629 0.020 2 189 96 18 LEU HG H 1.458 0.020 1 190 96 18 LEU C C 178.998 0.300 1 191 96 18 LEU CA C 58.097 0.300 1 192 96 18 LEU CB C 41.814 0.300 1 193 96 18 LEU CD1 C 23.302 0.300 1 194 96 18 LEU CD2 C 24.875 0.300 1 195 96 18 LEU CG C 26.762 0.300 1 196 96 18 LEU N N 123.012 0.300 1 197 97 19 CYS H H 8.163 0.020 1 198 97 19 CYS HA H 3.783 0.020 1 199 97 19 CYS HB2 H 2.970 0.020 2 200 97 19 CYS HB3 H 2.055 0.020 2 201 97 19 CYS C C 176.663 0.300 1 202 97 19 CYS CA C 64.973 0.300 1 203 97 19 CYS CB C 25.966 0.300 1 204 97 19 CYS N N 117.202 0.300 1 205 98 20 LEU H H 7.863 0.020 1 206 98 20 LEU HA H 3.681 0.020 1 207 98 20 LEU HB2 H 1.422 0.020 2 208 98 20 LEU HB3 H 1.422 0.020 2 209 98 20 LEU HD1 H 0.637 0.020 2 210 98 20 LEU HD2 H 0.693 0.020 2 211 98 20 LEU HG H 1.257 0.020 1 212 98 20 LEU C C 179.392 0.300 1 213 98 20 LEU CA C 58.319 0.300 1 214 98 20 LEU CB C 41.944 0.300 1 215 98 20 LEU CD1 C 24.424 0.300 1 216 98 20 LEU CD2 C 23.821 0.300 1 217 98 20 LEU CG C 26.274 0.300 1 218 98 20 LEU N N 118.833 0.300 1 219 99 21 GLN H H 7.658 0.020 1 220 99 21 GLN HA H 3.909 0.020 1 221 99 21 GLN HB2 H 2.206 0.020 2 222 99 21 GLN HB3 H 2.138 0.020 2 223 99 21 GLN HE21 H 6.714 0.020 2 224 99 21 GLN HE22 H 7.656 0.020 2 225 99 21 GLN HG2 H 2.312 0.020 2 226 99 21 GLN HG3 H 2.371 0.020 2 227 99 21 GLN C C 178.326 0.300 1 228 99 21 GLN CA C 58.704 0.300 1 229 99 21 GLN CB C 28.630 0.300 1 230 99 21 GLN CG C 33.316 0.300 1 231 99 21 GLN N N 118.958 0.300 1 232 99 21 GLN NE2 N 113.615 0.300 1 233 100 22 LEU H H 8.214 0.020 1 234 100 22 LEU HA H 4.150 0.020 1 235 100 22 LEU HB2 H 2.137 0.020 2 236 100 22 LEU HB3 H 1.365 0.020 2 237 100 22 LEU HD1 H 0.717 0.020 2 238 100 22 LEU HD2 H 0.858 0.020 2 239 100 22 LEU HG H 1.805 0.020 1 240 100 22 LEU C C 179.438 0.300 1 241 100 22 LEU CA C 58.320 0.300 1 242 100 22 LEU CB C 42.816 0.300 1 243 100 22 LEU CD1 C 26.903 0.300 1 244 100 22 LEU CD2 C 23.655 0.300 1 245 100 22 LEU CG C 27.388 0.300 1 246 100 22 LEU N N 119.829 0.300 1 247 101 23 ARG H H 8.722 0.020 1 248 101 23 ARG HA H 3.946 0.020 1 249 101 23 ARG HB2 H 2.009 0.020 2 250 101 23 ARG HB3 H 1.800 0.020 2 251 101 23 ARG HD2 H 3.096 0.020 2 252 101 23 ARG HD3 H 3.231 0.020 2 253 101 23 ARG HE H 7.881 0.020 1 254 101 23 ARG HG2 H 1.485 0.020 2 255 101 23 ARG HG3 H 1.619 0.020 2 256 101 23 ARG C C 179.448 0.300 1 257 101 23 ARG CA C 60.910 0.300 1 258 101 23 ARG CB C 29.853 0.300 1 259 101 23 ARG CD C 43.587 0.300 1 260 101 23 ARG N N 117.690 0.300 1 261 102 24 GLN H H 7.804 0.020 1 262 102 24 GLN HA H 4.015 0.020 1 263 102 24 GLN HB2 H 2.272 0.020 2 264 102 24 GLN HB3 H 2.063 0.020 2 265 102 24 GLN HE21 H 6.838 0.020 2 266 102 24 GLN HE22 H 7.359 0.020 2 267 102 24 GLN HG2 H 2.383 0.020 2 268 102 24 GLN HG3 H 2.561 0.020 2 269 102 24 GLN C C 178.951 0.300 1 270 102 24 GLN CA C 58.785 0.300 1 271 102 24 GLN CB C 28.263 0.300 1 272 102 24 GLN CG C 34.140 0.300 1 273 102 24 GLN N N 117.686 0.300 1 274 102 24 GLN NE2 N 111.270 0.300 1 275 103 25 ASP H H 8.393 0.020 1 276 103 25 ASP HA H 4.414 0.020 1 277 103 25 ASP HB2 H 3.075 0.020 2 278 103 25 ASP HB3 H 2.467 0.020 2 279 103 25 ASP C C 179.476 0.300 1 280 103 25 ASP CA C 57.753 0.300 1 281 103 25 ASP CB C 40.432 0.300 1 282 103 25 ASP N N 122.118 0.300 1 283 104 26 ILE H H 8.737 0.020 1 284 104 26 ILE HA H 3.761 0.020 1 285 104 26 ILE HB H 2.008 0.020 1 286 104 26 ILE HD1 H 0.908 0.020 1 287 104 26 ILE HG2 H 0.955 0.020 1 288 104 26 ILE C C 180.320 0.300 1 289 104 26 ILE CA C 65.902 0.300 1 290 104 26 ILE CB C 38.826 0.300 1 291 104 26 ILE CD1 C 14.855 0.300 1 292 104 26 ILE CG2 C 17.655 0.300 1 293 104 26 ILE N N 122.668 0.300 1 294 105 27 VAL H H 7.923 0.020 1 295 105 27 VAL HA H 3.077 0.020 1 296 105 27 VAL HB H 1.985 0.020 1 297 105 27 VAL HG1 H 0.851 0.020 2 298 105 27 VAL HG2 H 0.859 0.020 2 299 105 27 VAL C C 176.073 0.300 1 300 105 27 VAL CA C 67.080 0.300 1 301 105 27 VAL CB C 31.450 0.300 1 302 105 27 VAL CG1 C 21.477 0.300 1 303 105 27 VAL CG2 C 23.748 0.300 1 304 105 27 VAL N N 121.194 0.300 1 305 106 28 ALA H H 7.892 0.020 1 306 106 28 ALA HA H 4.286 0.020 1 307 106 28 ALA HB H 1.516 0.020 1 308 106 28 ALA C C 178.366 0.300 1 309 106 28 ALA CA C 52.572 0.300 1 310 106 28 ALA CB C 19.616 0.300 1 311 106 28 ALA N N 117.103 0.300 1 312 107 29 GLY H H 7.670 0.020 1 313 107 29 GLY HA2 H 4.181 0.020 2 314 107 29 GLY HA3 H 3.924 0.020 2 315 107 29 GLY C C 174.596 0.300 1 316 107 29 GLY CA C 45.157 0.300 1 317 107 29 GLY N N 105.038 0.300 1 318 108 30 ARG H H 7.972 0.020 1 319 108 30 ARG HA H 4.185 0.020 1 320 108 30 ARG HB2 H 1.911 0.020 2 321 108 30 ARG HB3 H 1.702 0.020 2 322 108 30 ARG HD2 H 3.307 0.020 2 323 108 30 ARG HD3 H 3.165 0.020 2 324 108 30 ARG HE H 7.395 0.020 1 325 108 30 ARG HG2 H 1.543 0.020 2 326 108 30 ARG HG3 H 1.625 0.020 2 327 108 30 ARG C C 175.874 0.300 1 328 108 30 ARG CA C 57.987 0.300 1 329 108 30 ARG CB C 31.218 0.300 1 330 108 30 ARG CD C 43.146 0.300 1 331 108 30 ARG CG C 29.307 0.300 1 332 108 30 ARG N N 118.333 0.300 1 333 109 31 LEU H H 6.696 0.020 1 334 109 31 LEU HA H 4.939 0.020 1 335 109 31 LEU HB2 H 1.436 0.020 2 336 109 31 LEU HB3 H 1.368 0.020 2 337 109 31 LEU HD1 H 1.026 0.020 2 338 109 31 LEU HD2 H 0.966 0.020 2 339 109 31 LEU HG H 1.444 0.020 1 340 109 31 LEU C C 173.324 0.300 1 341 109 31 LEU CA C 50.930 0.300 1 342 109 31 LEU CB C 43.480 0.300 1 343 109 31 LEU CD1 C 26.051 0.300 1 344 109 31 LEU CD2 C 24.253 0.300 1 345 109 31 LEU CG C 26.976 0.300 1 346 109 31 LEU N N 118.681 0.300 1 347 110 32 PRO HA H 4.411 0.020 1 348 110 32 PRO HB2 H 1.967 0.020 2 349 110 32 PRO HB3 H 2.266 0.020 2 350 110 32 PRO HD2 H 3.749 0.020 2 351 110 32 PRO HD3 H 3.749 0.020 2 352 110 32 PRO HG2 H 2.127 0.020 2 353 110 32 PRO HG3 H 1.949 0.020 2 354 110 32 PRO C C 176.694 0.300 1 355 110 32 PRO CA C 63.123 0.300 1 356 110 32 PRO CB C 32.022 0.300 1 357 110 32 PRO CD C 51.130 0.300 1 358 110 32 PRO CG C 27.345 0.300 1 359 111 33 CYS H H 8.273 0.020 1 360 111 33 CYS HA H 4.834 0.020 1 361 111 33 CYS HB2 H 2.806 0.020 2 362 111 33 CYS HB3 H 2.776 0.020 2 363 111 33 CYS C C 173.523 0.300 1 364 111 33 CYS CA C 57.890 0.300 1 365 111 33 CYS CB C 32.282 0.300 1 366 111 33 CYS N N 119.113 0.300 1 367 112 34 SER H H 8.738 0.020 1 368 112 34 SER HA H 4.527 0.020 1 369 112 34 SER HB2 H 4.410 0.020 2 370 112 34 SER HB3 H 4.101 0.020 2 371 112 34 SER C C 173.709 0.300 1 372 112 34 SER CA C 57.256 0.300 1 373 112 34 SER CB C 65.433 0.300 1 374 112 34 SER N N 118.212 0.300 1 375 113 35 PHE H H 9.027 0.020 1 376 113 35 PHE HA H 4.047 0.020 1 377 113 35 PHE HB2 H 3.322 0.020 2 378 113 35 PHE HB3 H 3.087 0.020 2 379 113 35 PHE HD1 H 7.246 0.020 1 380 113 35 PHE HD2 H 7.246 0.020 1 381 113 35 PHE HE1 H 6.977 0.020 1 382 113 35 PHE HE2 H 6.977 0.020 1 383 113 35 PHE HZ H 7.130 0.020 1 384 113 35 PHE C C 176.433 0.300 1 385 113 35 PHE CA C 62.623 0.300 1 386 113 35 PHE CB C 39.128 0.300 1 387 113 35 PHE CD1 C 132.321 0.300 1 388 113 35 PHE CD2 C 132.321 0.300 1 389 113 35 PHE CE1 C 128.892 0.300 1 390 113 35 PHE CE2 C 128.892 0.300 1 391 113 35 PHE CZ C 130.729 0.300 1 392 113 35 PHE N N 122.209 0.300 1 393 114 36 ALA H H 8.631 0.020 1 394 114 36 ALA HA H 3.926 0.020 1 395 114 36 ALA HB H 1.500 0.020 1 396 114 36 ALA C C 181.064 0.300 1 397 114 36 ALA CA C 55.300 0.300 1 398 114 36 ALA CB C 18.423 0.300 1 399 114 36 ALA N N 118.977 0.300 1 400 115 37 THR H H 7.886 0.020 1 401 115 37 THR HA H 3.859 0.020 1 402 115 37 THR HB H 4.216 0.020 1 403 115 37 THR HG2 H 1.179 0.020 1 404 115 37 THR C C 175.630 0.300 1 405 115 37 THR CA C 66.294 0.300 1 406 115 37 THR CB C 68.298 0.300 1 407 115 37 THR CG2 C 23.991 0.300 1 408 115 37 THR N N 117.602 0.300 1 409 116 38 LEU H H 8.740 0.020 1 410 116 38 LEU HA H 3.904 0.020 1 411 116 38 LEU HB2 H 2.001 0.020 2 412 116 38 LEU HB3 H 1.050 0.020 2 413 116 38 LEU HD1 H 0.891 0.020 2 414 116 38 LEU HD2 H 0.955 0.020 2 415 116 38 LEU HG H 1.465 0.020 1 416 116 38 LEU C C 180.666 0.300 1 417 116 38 LEU CA C 58.166 0.300 1 418 116 38 LEU CB C 43.034 0.300 1 419 116 38 LEU CD1 C 25.555 0.300 1 420 116 38 LEU CD2 C 24.120 0.300 1 421 116 38 LEU CG C 27.527 0.300 1 422 116 38 LEU N N 122.945 0.300 1 423 117 39 ALA H H 8.151 0.020 1 424 117 39 ALA HA H 3.776 0.020 1 425 117 39 ALA HB H 0.993 0.020 1 426 117 39 ALA C C 178.461 0.300 1 427 117 39 ALA CA C 53.839 0.300 1 428 117 39 ALA CB C 17.406 0.300 1 429 117 39 ALA N N 120.752 0.300 1 430 118 40 LEU H H 7.801 0.020 1 431 118 40 LEU HA H 3.892 0.020 1 432 118 40 LEU HB2 H 1.627 0.020 2 433 118 40 LEU HB3 H 1.916 0.020 2 434 118 40 LEU HD1 H 0.921 0.020 2 435 118 40 LEU HD2 H 0.943 0.020 2 436 118 40 LEU C C 180.428 0.300 1 437 118 40 LEU CA C 57.978 0.300 1 438 118 40 LEU CB C 42.699 0.300 1 439 118 40 LEU CD1 C 23.703 0.300 1 440 118 40 LEU CD2 C 25.801 0.300 1 441 118 40 LEU N N 119.699 0.300 1 442 119 41 LEU H H 9.153 0.020 1 443 119 41 LEU HA H 4.181 0.020 1 444 119 41 LEU HB2 H 1.630 0.020 2 445 119 41 LEU HB3 H 1.822 0.020 2 446 119 41 LEU HD1 H 0.559 0.020 2 447 119 41 LEU HD2 H 0.347 0.020 2 448 119 41 LEU HG H 1.755 0.020 1 449 119 41 LEU C C 179.132 0.300 1 450 119 41 LEU CA C 58.696 0.300 1 451 119 41 LEU CB C 39.102 0.300 1 452 119 41 LEU CD1 C 26.381 0.300 1 453 119 41 LEU CD2 C 22.417 0.300 1 454 119 41 LEU CG C 26.690 0.300 1 455 119 41 LEU N N 118.687 0.300 1 456 120 42 GLY H H 8.253 0.020 1 457 120 42 GLY HA2 H 4.016 0.020 2 458 120 42 GLY HA3 H 3.610 0.020 2 459 120 42 GLY C C 175.046 0.300 1 460 120 42 GLY CA C 48.060 0.300 1 461 120 42 GLY N N 106.562 0.300 1 462 121 43 SER H H 8.456 0.020 1 463 121 43 SER HA H 3.928 0.020 1 464 121 43 SER HB2 H 3.667 0.020 2 465 121 43 SER HB3 H 4.138 0.020 2 466 121 43 SER C C 175.318 0.300 1 467 121 43 SER CA C 62.651 0.300 1 468 121 43 SER CB C 62.722 0.300 1 469 121 43 SER N N 117.787 0.300 1 470 122 44 TYR H H 7.311 0.020 1 471 122 44 TYR HA H 4.635 0.020 1 472 122 44 TYR HB2 H 3.183 0.020 2 473 122 44 TYR HB3 H 3.602 0.020 2 474 122 44 TYR HD1 H 6.829 0.020 1 475 122 44 TYR HD2 H 6.829 0.020 1 476 122 44 TYR HE1 H 6.189 0.020 1 477 122 44 TYR HE2 H 6.189 0.020 1 478 122 44 TYR C C 178.731 0.300 1 479 122 44 TYR CA C 61.704 0.300 1 480 122 44 TYR CB C 38.809 0.300 1 481 122 44 TYR CD1 C 131.334 0.300 1 482 122 44 TYR CD2 C 131.334 0.300 1 483 122 44 TYR CE1 C 118.692 0.300 1 484 122 44 TYR CE2 C 118.692 0.300 1 485 122 44 TYR N N 123.923 0.300 1 486 123 45 THR H H 8.748 0.020 1 487 123 45 THR HA H 3.747 0.020 1 488 123 45 THR HB H 4.516 0.020 1 489 123 45 THR HG2 H 0.973 0.020 1 490 123 45 THR C C 175.781 0.300 1 491 123 45 THR CA C 67.015 0.300 1 492 123 45 THR CB C 67.670 0.300 1 493 123 45 THR CG2 C 21.904 0.300 1 494 123 45 THR N N 121.374 0.300 1 495 124 46 ILE H H 8.131 0.020 1 496 124 46 ILE HA H 3.161 0.020 1 497 124 46 ILE HB H 1.543 0.020 1 498 124 46 ILE HD1 H -0.048 0.020 1 499 124 46 ILE HG12 H 1.135 0.020 2 500 124 46 ILE HG13 H 0.633 0.020 2 501 124 46 ILE HG2 H -0.138 0.020 1 502 124 46 ILE C C 177.130 0.300 1 503 124 46 ILE CA C 62.478 0.300 1 504 124 46 ILE CB C 35.268 0.300 1 505 124 46 ILE CD1 C 10.197 0.300 1 506 124 46 ILE CG1 C 27.067 0.300 1 507 124 46 ILE CG2 C 16.430 0.300 1 508 124 46 ILE N N 119.593 0.300 1 509 125 47 GLN H H 7.871 0.020 1 510 125 47 GLN HA H 4.110 0.020 1 511 125 47 GLN HB2 H 2.042 0.020 2 512 125 47 GLN HB3 H 2.042 0.020 2 513 125 47 GLN HE21 H 7.296 0.020 2 514 125 47 GLN HE22 H 7.700 0.020 2 515 125 47 GLN HG2 H 2.784 0.020 2 516 125 47 GLN HG3 H 2.784 0.020 2 517 125 47 GLN C C 178.150 0.300 1 518 125 47 GLN CA C 58.333 0.300 1 519 125 47 GLN CB C 27.448 0.300 1 520 125 47 GLN CG C 32.187 0.300 1 521 125 47 GLN N N 121.155 0.300 1 522 125 47 GLN NE2 N 110.315 0.300 1 523 126 48 SER H H 8.194 0.020 1 524 126 48 SER HA H 4.055 0.020 1 525 126 48 SER HB2 H 3.992 0.020 2 526 126 48 SER HB3 H 3.992 0.020 2 527 126 48 SER C C 176.209 0.300 1 528 126 48 SER CA C 60.823 0.300 1 529 126 48 SER CB C 63.592 0.300 1 530 126 48 SER N N 111.964 0.300 1 531 127 49 GLU H H 8.009 0.020 1 532 127 49 GLU HA H 4.296 0.020 1 533 127 49 GLU HB2 H 1.799 0.020 2 534 127 49 GLU HB3 H 2.150 0.020 2 535 127 49 GLU HG2 H 2.419 0.020 2 536 127 49 GLU HG3 H 2.309 0.020 2 537 127 49 GLU C C 178.319 0.300 1 538 127 49 GLU CA C 58.376 0.300 1 539 127 49 GLU CB C 30.928 0.300 1 540 127 49 GLU CG C 35.867 0.300 1 541 127 49 GLU N N 116.052 0.300 1 542 128 50 LEU H H 8.916 0.020 1 543 128 50 LEU HA H 4.549 0.020 1 544 128 50 LEU HB2 H 1.561 0.020 2 545 128 50 LEU HB3 H 1.432 0.020 2 546 128 50 LEU HD1 H 0.744 0.020 2 547 128 50 LEU HD2 H 0.855 0.020 2 548 128 50 LEU HG H 1.460 0.020 1 549 128 50 LEU C C 178.447 0.300 1 550 128 50 LEU CA C 55.159 0.300 1 551 128 50 LEU CB C 43.500 0.300 1 552 128 50 LEU CD1 C 25.271 0.300 1 553 128 50 LEU CD2 C 23.477 0.300 1 554 128 50 LEU CG C 26.570 0.300 1 555 128 50 LEU N N 117.044 0.300 1 556 129 51 GLY H H 7.710 0.020 1 557 129 51 GLY HA2 H 4.261 0.020 2 558 129 51 GLY HA3 H 3.994 0.020 2 559 129 51 GLY C C 172.406 0.300 1 560 129 51 GLY CA C 44.162 0.300 1 561 129 51 GLY N N 109.110 0.300 1 562 130 52 ASP H H 8.131 0.020 1 563 130 52 ASP HA H 4.577 0.020 1 564 130 52 ASP HB2 H 2.580 0.020 2 565 130 52 ASP HB3 H 2.580 0.020 2 566 130 52 ASP C C 176.862 0.300 1 567 130 52 ASP CA C 54.581 0.300 1 568 130 52 ASP CB C 41.028 0.300 1 569 130 52 ASP N N 118.844 0.300 1 570 131 53 TYR H H 8.732 0.020 1 571 131 53 TYR HA H 4.410 0.020 1 572 131 53 TYR HB2 H 2.302 0.020 2 573 131 53 TYR HB3 H 2.128 0.020 2 574 131 53 TYR HD1 H 6.868 0.020 1 575 131 53 TYR HD2 H 6.868 0.020 1 576 131 53 TYR HE1 H 6.796 0.020 1 577 131 53 TYR HE2 H 6.796 0.020 1 578 131 53 TYR C C 174.929 0.300 1 579 131 53 TYR CA C 58.452 0.300 1 580 131 53 TYR CB C 37.536 0.300 1 581 131 53 TYR CD1 C 133.394 0.300 1 582 131 53 TYR CD2 C 133.394 0.300 1 583 131 53 TYR CE1 C 117.754 0.300 1 584 131 53 TYR CE2 C 117.754 0.300 1 585 131 53 TYR N N 121.518 0.300 1 586 132 54 ASP H H 9.981 0.020 1 587 132 54 ASP HA H 4.652 0.020 1 588 132 54 ASP HB2 H 2.161 0.020 2 589 132 54 ASP HB3 H 2.161 0.020 2 590 132 54 ASP CA C 49.843 0.300 1 591 132 54 ASP CB C 42.737 0.300 1 592 132 54 ASP N N 132.995 0.300 1 593 133 55 PRO HA H 4.117 0.020 1 594 133 55 PRO HB2 H 2.420 0.020 2 595 133 55 PRO HB3 H 2.003 0.020 2 596 133 55 PRO HD2 H 3.279 0.020 2 597 133 55 PRO HD3 H 3.789 0.020 2 598 133 55 PRO HG2 H 2.001 0.020 2 599 133 55 PRO HG3 H 2.080 0.020 2 600 133 55 PRO C C 178.353 0.300 1 601 133 55 PRO CA C 64.216 0.300 1 602 133 55 PRO CB C 32.133 0.300 1 603 133 55 PRO CD C 50.630 0.300 1 604 133 55 PRO CG C 27.005 0.300 1 605 134 56 GLU H H 7.968 0.020 1 606 134 56 GLU HA H 4.047 0.020 1 607 134 56 GLU HB2 H 1.894 0.020 2 608 134 56 GLU HB3 H 1.926 0.020 2 609 134 56 GLU HG2 H 2.124 0.020 2 610 134 56 GLU HG3 H 2.239 0.020 2 611 134 56 GLU C C 177.001 0.300 1 612 134 56 GLU CA C 57.984 0.300 1 613 134 56 GLU CB C 29.667 0.300 1 614 134 56 GLU CG C 36.585 0.300 1 615 134 56 GLU N N 116.491 0.300 1 616 135 57 LEU H H 7.137 0.020 1 617 135 57 LEU HA H 4.186 0.020 1 618 135 57 LEU HB2 H 0.793 0.020 2 619 135 57 LEU HB3 H 1.007 0.020 2 620 135 57 LEU HD1 H 0.747 0.020 2 621 135 57 LEU HD2 H 0.683 0.020 2 622 135 57 LEU HG H 1.218 0.020 1 623 135 57 LEU C C 177.695 0.300 1 624 135 57 LEU CA C 55.372 0.300 1 625 135 57 LEU CB C 43.889 0.300 1 626 135 57 LEU CD1 C 24.277 0.300 1 627 135 57 LEU CD2 C 23.229 0.300 1 628 135 57 LEU CG C 26.703 0.300 1 629 135 57 LEU N N 118.254 0.300 1 630 136 58 HIS H H 8.121 0.020 1 631 136 58 HIS HA H 4.560 0.020 1 632 136 58 HIS HB2 H 2.591 0.020 2 633 136 58 HIS HB3 H 1.913 0.020 2 634 136 58 HIS HD2 H 6.880 0.020 1 635 136 58 HIS C C 176.135 0.300 1 636 136 58 HIS CA C 56.134 0.300 1 637 136 58 HIS CB C 31.534 0.300 1 638 136 58 HIS CD2 C 114.769 0.300 1 639 136 58 HIS N N 120.254 0.300 1 640 137 59 GLY H H 7.890 0.020 1 641 137 59 GLY HA2 H 4.166 0.020 2 642 137 59 GLY HA3 H 3.990 0.020 2 643 137 59 GLY C C 175.021 0.300 1 644 137 59 GLY CA C 45.431 0.300 1 645 137 59 GLY N N 108.183 0.300 1 646 138 60 VAL H H 8.519 0.020 1 647 138 60 VAL HA H 4.503 0.020 1 648 138 60 VAL HB H 2.317 0.020 1 649 138 60 VAL HG1 H 1.022 0.020 2 650 138 60 VAL HG2 H 0.983 0.020 2 651 138 60 VAL C C 176.419 0.300 1 652 138 60 VAL CA C 62.905 0.300 1 653 138 60 VAL CB C 32.421 0.300 1 654 138 60 VAL CG1 C 21.058 0.300 1 655 138 60 VAL CG2 C 19.450 0.300 1 656 138 60 VAL N N 116.738 0.300 1 657 139 61 ASP H H 8.525 0.020 1 658 139 61 ASP HA H 4.959 0.020 1 659 139 61 ASP HB2 H 2.876 0.020 2 660 139 61 ASP HB3 H 2.663 0.020 2 661 139 61 ASP C C 177.816 0.300 1 662 139 61 ASP CA C 54.278 0.300 1 663 139 61 ASP CB C 40.771 0.300 1 664 139 61 ASP N N 120.408 0.300 1 665 140 62 TYR H H 7.553 0.020 1 666 140 62 TYR HA H 4.611 0.020 1 667 140 62 TYR HB2 H 3.234 0.020 2 668 140 62 TYR HB3 H 3.545 0.020 2 669 140 62 TYR HD1 H 7.002 0.020 1 670 140 62 TYR HD2 H 7.002 0.020 1 671 140 62 TYR HE1 H 6.618 0.020 1 672 140 62 TYR HE2 H 6.618 0.020 1 673 140 62 TYR C C 176.791 0.300 1 674 140 62 TYR CA C 59.811 0.300 1 675 140 62 TYR CB C 37.453 0.300 1 676 140 62 TYR CD1 C 133.965 0.300 1 677 140 62 TYR CD2 C 133.965 0.300 1 678 140 62 TYR CE1 C 118.705 0.300 1 679 140 62 TYR CE2 C 118.705 0.300 1 680 140 62 TYR N N 118.187 0.300 1 681 141 63 VAL H H 7.645 0.020 1 682 141 63 VAL HA H 3.861 0.020 1 683 141 63 VAL HB H 1.794 0.020 1 684 141 63 VAL HG1 H 0.560 0.020 2 685 141 63 VAL HG2 H 0.305 0.020 2 686 141 63 VAL C C 176.409 0.300 1 687 141 63 VAL CA C 63.504 0.300 1 688 141 63 VAL CB C 31.598 0.300 1 689 141 63 VAL CG1 C 23.057 0.300 1 690 141 63 VAL CG2 C 21.701 0.300 1 691 141 63 VAL N N 118.945 0.300 1 692 142 64 SER H H 7.611 0.020 1 693 142 64 SER HA H 4.234 0.020 1 694 142 64 SER HB2 H 3.954 0.020 2 695 142 64 SER HB3 H 4.018 0.020 2 696 142 64 SER C C 175.035 0.300 1 697 142 64 SER CA C 60.628 0.300 1 698 142 64 SER CB C 63.183 0.300 1 699 142 64 SER N N 113.661 0.300 1 700 143 65 ASP H H 7.440 0.020 1 701 143 65 ASP HA H 4.568 0.020 1 702 143 65 ASP HB2 H 2.490 0.020 2 703 143 65 ASP HB3 H 2.387 0.020 2 704 143 65 ASP C C 175.376 0.300 1 705 143 65 ASP CA C 55.077 0.300 1 706 143 65 ASP CB C 40.913 0.300 1 707 143 65 ASP N N 118.332 0.300 1 708 144 66 PHE H H 8.115 0.020 1 709 144 66 PHE HA H 4.369 0.020 1 710 144 66 PHE HB2 H 2.977 0.020 2 711 144 66 PHE HB3 H 2.717 0.020 2 712 144 66 PHE HD1 H 7.187 0.020 1 713 144 66 PHE HD2 H 7.187 0.020 1 714 144 66 PHE HE1 H 7.309 0.020 1 715 144 66 PHE HE2 H 7.309 0.020 1 716 144 66 PHE C C 174.524 0.300 1 717 144 66 PHE CA C 57.705 0.300 1 718 144 66 PHE CB C 41.033 0.300 1 719 144 66 PHE CD1 C 131.669 0.300 1 720 144 66 PHE CD2 C 131.669 0.300 1 721 144 66 PHE CE1 C 130.982 0.300 1 722 144 66 PHE CE2 C 130.982 0.300 1 723 144 66 PHE N N 120.277 0.300 1 724 145 67 LYS H H 8.688 0.020 1 725 145 67 LYS HA H 4.671 0.020 1 726 145 67 LYS HB2 H 1.731 0.020 2 727 145 67 LYS HB3 H 1.779 0.020 2 728 145 67 LYS HD2 H 1.666 0.020 2 729 145 67 LYS HD3 H 1.666 0.020 2 730 145 67 LYS HE2 H 2.971 0.020 2 731 145 67 LYS HE3 H 2.971 0.020 2 732 145 67 LYS HG2 H 1.466 0.020 2 733 145 67 LYS HG3 H 1.378 0.020 2 734 145 67 LYS C C 175.437 0.300 1 735 145 67 LYS CA C 55.418 0.300 1 736 145 67 LYS CB C 31.784 0.300 1 737 145 67 LYS CD C 28.904 0.300 1 738 145 67 LYS CE C 42.188 0.300 1 739 145 67 LYS CG C 24.763 0.300 1 740 145 67 LYS N N 122.931 0.300 1 741 146 68 LEU H H 9.642 0.020 1 742 146 68 LEU HA H 4.484 0.020 1 743 146 68 LEU HB2 H 1.527 0.020 2 744 146 68 LEU HB3 H 1.365 0.020 2 745 146 68 LEU HD1 H 0.653 0.020 2 746 146 68 LEU HD2 H 0.832 0.020 2 747 146 68 LEU HG H 1.609 0.020 1 748 146 68 LEU C C 175.512 0.300 1 749 146 68 LEU CA C 54.375 0.300 1 750 146 68 LEU CB C 44.114 0.300 1 751 146 68 LEU CD1 C 26.562 0.300 1 752 146 68 LEU CD2 C 23.032 0.300 1 753 146 68 LEU CG C 26.291 0.300 1 754 146 68 LEU N N 123.156 0.300 1 755 147 69 ALA H H 7.586 0.020 1 756 147 69 ALA HA H 4.597 0.020 1 757 147 69 ALA HB H 1.223 0.020 1 758 147 69 ALA C C 173.720 0.300 1 759 147 69 ALA CA C 49.637 0.300 1 760 147 69 ALA CB C 22.691 0.300 1 761 147 69 ALA N N 117.486 0.300 1 762 148 70 PRO HA H 4.578 0.020 1 763 148 70 PRO HB2 H 2.358 0.020 2 764 148 70 PRO HB3 H 1.932 0.020 2 765 148 70 PRO HD2 H 3.863 0.020 2 766 148 70 PRO HD3 H 3.696 0.020 2 767 148 70 PRO HG2 H 2.117 0.020 2 768 148 70 PRO HG3 H 1.945 0.020 2 769 148 70 PRO C C 176.996 0.300 1 770 148 70 PRO CA C 64.435 0.300 1 771 148 70 PRO CB C 31.448 0.300 1 772 148 70 PRO CD C 50.305 0.300 1 773 148 70 PRO CG C 26.956 0.300 1 774 149 71 ASN H H 8.221 0.020 1 775 149 71 ASN HA H 4.783 0.020 1 776 149 71 ASN HB2 H 2.693 0.020 2 777 149 71 ASN HB3 H 2.817 0.020 2 778 149 71 ASN HD21 H 6.884 0.020 2 779 149 71 ASN HD22 H 7.612 0.020 2 780 149 71 ASN C C 173.865 0.300 1 781 149 71 ASN CA C 52.308 0.300 1 782 149 71 ASN CB C 38.065 0.300 1 783 149 71 ASN N N 116.940 0.300 1 784 149 71 ASN ND2 N 112.721 0.300 1 785 150 72 GLN H H 8.467 0.020 1 786 150 72 GLN HA H 3.962 0.020 1 787 150 72 GLN HB2 H 2.169 0.020 2 788 150 72 GLN HB3 H 2.330 0.020 2 789 150 72 GLN HE21 H 7.239 0.020 2 790 150 72 GLN HE22 H 9.125 0.020 2 791 150 72 GLN HG2 H 2.577 0.020 2 792 150 72 GLN HG3 H 1.821 0.020 2 793 150 72 GLN C C 174.832 0.300 1 794 150 72 GLN CA C 57.793 0.300 1 795 150 72 GLN CB C 29.029 0.300 1 796 150 72 GLN CG C 33.952 0.300 1 797 150 72 GLN N N 123.793 0.300 1 798 150 72 GLN NE2 N 113.626 0.300 1 799 151 73 THR H H 7.040 0.020 1 800 151 73 THR HA H 4.668 0.020 1 801 151 73 THR HB H 4.780 0.020 1 802 151 73 THR HG2 H 1.323 0.020 1 803 151 73 THR C C 175.175 0.300 1 804 151 73 THR CA C 59.504 0.300 1 805 151 73 THR CB C 72.544 0.300 1 806 151 73 THR CG2 C 21.930 0.300 1 807 151 73 THR N N 115.239 0.300 1 808 152 74 LYS H H 8.949 0.020 1 809 152 74 LYS HA H 4.109 0.020 1 810 152 74 LYS HB2 H 1.834 0.020 2 811 152 74 LYS HB3 H 1.903 0.020 2 812 152 74 LYS HD2 H 1.731 0.020 2 813 152 74 LYS HD3 H 1.731 0.020 2 814 152 74 LYS HE2 H 3.012 0.020 2 815 152 74 LYS HE3 H 3.012 0.020 2 816 152 74 LYS HG2 H 1.531 0.020 2 817 152 74 LYS HG3 H 1.531 0.020 2 818 152 74 LYS C C 178.758 0.300 1 819 152 74 LYS CA C 58.521 0.300 1 820 152 74 LYS CB C 31.372 0.300 1 821 152 74 LYS CD C 28.236 0.300 1 822 152 74 LYS CE C 41.950 0.300 1 823 152 74 LYS CG C 24.379 0.300 1 824 152 74 LYS N N 122.065 0.300 1 825 153 75 GLU H H 8.762 0.020 1 826 153 75 GLU HA H 4.098 0.020 1 827 153 75 GLU HB2 H 2.150 0.020 2 828 153 75 GLU HB3 H 1.986 0.020 2 829 153 75 GLU HG2 H 2.335 0.020 2 830 153 75 GLU HG3 H 2.415 0.020 2 831 153 75 GLU C C 179.947 0.300 1 832 153 75 GLU CA C 60.405 0.300 1 833 153 75 GLU CB C 28.999 0.300 1 834 153 75 GLU CG C 36.926 0.300 1 835 153 75 GLU N N 118.335 0.300 1 836 154 76 LEU H H 7.726 0.020 1 837 154 76 LEU HA H 4.061 0.020 1 838 154 76 LEU HB2 H 1.685 0.020 2 839 154 76 LEU HB3 H 1.978 0.020 2 840 154 76 LEU HD1 H 0.342 0.020 2 841 154 76 LEU HD2 H 0.712 0.020 2 842 154 76 LEU HG H 1.249 0.020 1 843 154 76 LEU C C 178.292 0.300 1 844 154 76 LEU CA C 58.188 0.300 1 845 154 76 LEU CB C 41.061 0.300 1 846 154 76 LEU CD1 C 23.448 0.300 1 847 154 76 LEU CD2 C 26.986 0.300 1 848 154 76 LEU CG C 27.332 0.300 1 849 154 76 LEU N N 121.434 0.300 1 850 155 77 GLU H H 8.044 0.020 1 851 155 77 GLU HA H 3.394 0.020 1 852 155 77 GLU HB2 H 2.283 0.020 2 853 155 77 GLU HB3 H 1.733 0.020 2 854 155 77 GLU HG2 H 2.595 0.020 2 855 155 77 GLU HG3 H 1.791 0.020 2 856 155 77 GLU C C 178.363 0.300 1 857 155 77 GLU CA C 60.409 0.300 1 858 155 77 GLU CB C 28.697 0.300 1 859 155 77 GLU CG C 36.983 0.300 1 860 155 77 GLU N N 118.172 0.300 1 861 156 78 GLU H H 8.657 0.020 1 862 156 78 GLU HA H 3.945 0.020 1 863 156 78 GLU HB2 H 2.231 0.020 2 864 156 78 GLU HB3 H 2.085 0.020 2 865 156 78 GLU HG2 H 2.459 0.020 2 866 156 78 GLU HG3 H 2.239 0.020 2 867 156 78 GLU C C 179.197 0.300 1 868 156 78 GLU CA C 59.869 0.300 1 869 156 78 GLU CB C 29.466 0.300 1 870 156 78 GLU CG C 36.632 0.300 1 871 156 78 GLU N N 117.944 0.300 1 872 157 79 LYS H H 7.564 0.020 1 873 157 79 LYS HA H 4.245 0.020 1 874 157 79 LYS HB2 H 1.946 0.020 2 875 157 79 LYS HB3 H 1.946 0.020 2 876 157 79 LYS HD2 H 1.842 0.020 2 877 157 79 LYS HD3 H 1.721 0.020 2 878 157 79 LYS HE2 H 2.831 0.020 2 879 157 79 LYS HE3 H 3.012 0.020 2 880 157 79 LYS HG2 H 1.541 0.020 2 881 157 79 LYS HG3 H 1.378 0.020 2 882 157 79 LYS C C 178.328 0.300 1 883 157 79 LYS CA C 57.557 0.300 1 884 157 79 LYS CB C 30.969 0.300 1 885 157 79 LYS CD C 27.573 0.300 1 886 157 79 LYS CE C 41.821 0.300 1 887 157 79 LYS CG C 24.714 0.300 1 888 157 79 LYS N N 121.118 0.300 1 889 158 80 VAL H H 8.412 0.020 1 890 158 80 VAL HA H 3.314 0.020 1 891 158 80 VAL HB H 2.099 0.020 1 892 158 80 VAL HG1 H 0.495 0.020 2 893 158 80 VAL HG2 H 1.005 0.020 2 894 158 80 VAL C C 177.623 0.300 1 895 158 80 VAL CA C 67.250 0.300 1 896 158 80 VAL CB C 30.867 0.300 1 897 158 80 VAL CG1 C 21.789 0.300 1 898 158 80 VAL CG2 C 23.750 0.300 1 899 158 80 VAL N N 119.270 0.300 1 900 159 81 MET H H 8.212 0.020 1 901 159 81 MET HA H 4.039 0.020 1 902 159 81 MET HB2 H 2.199 0.020 2 903 159 81 MET HB3 H 2.019 0.020 2 904 159 81 MET HE H 2.129 0.020 1 905 159 81 MET HG2 H 2.101 0.020 2 906 159 81 MET HG3 H 2.716 0.020 2 907 159 81 MET C C 177.305 0.300 1 908 159 81 MET CA C 59.998 0.300 1 909 159 81 MET CB C 33.605 0.300 1 910 159 81 MET CE C 16.969 0.300 1 911 159 81 MET CG C 32.250 0.300 1 912 159 81 MET N N 117.924 0.300 1 913 160 82 GLU H H 7.780 0.020 1 914 160 82 GLU HA H 3.768 0.020 1 915 160 82 GLU HB2 H 2.153 0.020 2 916 160 82 GLU HB3 H 2.153 0.020 2 917 160 82 GLU HG2 H 2.316 0.020 2 918 160 82 GLU HG3 H 2.068 0.020 2 919 160 82 GLU C C 179.468 0.300 1 920 160 82 GLU CA C 59.555 0.300 1 921 160 82 GLU CB C 29.831 0.300 1 922 160 82 GLU CG C 36.093 0.300 1 923 160 82 GLU N N 119.282 0.300 1 924 161 83 LEU H H 7.748 0.020 1 925 161 83 LEU HA H 3.756 0.020 1 926 161 83 LEU HB2 H 1.169 0.020 2 927 161 83 LEU HB3 H 1.770 0.020 2 928 161 83 LEU HD1 H 0.731 0.020 2 929 161 83 LEU HD2 H 0.777 0.020 2 930 161 83 LEU HG H 1.733 0.020 1 931 161 83 LEU C C 179.113 0.300 1 932 161 83 LEU CA C 57.246 0.300 1 933 161 83 LEU CB C 41.824 0.300 1 934 161 83 LEU CD1 C 25.130 0.300 1 935 161 83 LEU CD2 C 22.076 0.300 1 936 161 83 LEU CG C 26.867 0.300 1 937 161 83 LEU N N 118.542 0.300 1 938 162 84 HIS H H 8.842 0.020 1 939 162 84 HIS HA H 3.986 0.020 1 940 162 84 HIS HB2 H 2.997 0.020 2 941 162 84 HIS HB3 H 3.268 0.020 2 942 162 84 HIS HD2 H 7.788 0.020 1 943 162 84 HIS C C 178.286 0.300 1 944 162 84 HIS CA C 58.407 0.300 1 945 162 84 HIS CB C 32.405 0.300 1 946 162 84 HIS CD2 C 119.538 0.300 1 947 162 84 HIS N N 120.325 0.300 1 948 163 85 LYS H H 7.951 0.020 1 949 163 85 LYS HA H 3.383 0.020 1 950 163 85 LYS HB2 H 1.522 0.020 2 951 163 85 LYS HB3 H 1.547 0.020 2 952 163 85 LYS HD2 H 1.299 0.020 2 953 163 85 LYS HD3 H 1.299 0.020 2 954 163 85 LYS HE2 H 2.361 0.020 2 955 163 85 LYS HE3 H 2.541 0.020 2 956 163 85 LYS HG2 H 1.262 0.020 2 957 163 85 LYS HG3 H 0.512 0.020 2 958 163 85 LYS C C 177.303 0.300 1 959 163 85 LYS CA C 59.730 0.300 1 960 163 85 LYS CB C 32.489 0.300 1 961 163 85 LYS CD C 29.721 0.300 1 962 163 85 LYS CE C 41.772 0.300 1 963 163 85 LYS CG C 25.123 0.300 1 964 163 85 LYS N N 116.598 0.300 1 965 164 86 SER H H 7.334 0.020 1 966 164 86 SER HA H 4.442 0.020 1 967 164 86 SER HB2 H 3.818 0.020 2 968 164 86 SER HB3 H 4.069 0.020 2 969 164 86 SER C C 175.296 0.300 1 970 164 86 SER CA C 59.708 0.300 1 971 164 86 SER CB C 64.669 0.300 1 972 164 86 SER N N 113.922 0.300 1 973 165 87 TYR H H 7.321 0.020 1 974 165 87 TYR HA H 5.037 0.020 1 975 165 87 TYR HB2 H 3.492 0.020 2 976 165 87 TYR HB3 H 3.206 0.020 2 977 165 87 TYR HD1 H 6.916 0.020 1 978 165 87 TYR HD2 H 6.916 0.020 1 979 165 87 TYR HE1 H 6.236 0.020 1 980 165 87 TYR HE2 H 6.236 0.020 1 981 165 87 TYR C C 175.143 0.300 1 982 165 87 TYR CA C 54.570 0.300 1 983 165 87 TYR CB C 36.575 0.300 1 984 165 87 TYR CD1 C 131.155 0.300 1 985 165 87 TYR CD2 C 131.155 0.300 1 986 165 87 TYR CE1 C 116.871 0.300 1 987 165 87 TYR CE2 C 116.871 0.300 1 988 165 87 TYR N N 123.163 0.300 1 989 166 88 ARG H H 7.263 0.020 1 990 166 88 ARG HA H 4.264 0.020 1 991 166 88 ARG HB2 H 1.828 0.020 2 992 166 88 ARG HB3 H 1.828 0.020 2 993 166 88 ARG HD2 H 3.319 0.020 2 994 166 88 ARG HD3 H 3.319 0.020 2 995 166 88 ARG HE H 7.279 0.020 1 996 166 88 ARG HG2 H 1.713 0.020 2 997 166 88 ARG HG3 H 1.713 0.020 2 998 166 88 ARG C C 177.455 0.300 1 999 166 88 ARG CA C 58.086 0.300 1 1000 166 88 ARG CB C 30.702 0.300 1 1001 166 88 ARG CD C 43.421 0.300 1 1002 166 88 ARG CG C 27.392 0.300 1 1003 166 88 ARG N N 119.334 0.300 1 1004 167 89 SER H H 10.206 0.020 1 1005 167 89 SER HA H 4.265 0.020 1 1006 167 89 SER HB2 H 4.140 0.020 2 1007 167 89 SER HB3 H 4.140 0.020 2 1008 167 89 SER C C 174.371 0.300 1 1009 167 89 SER CA C 60.818 0.300 1 1010 167 89 SER CB C 62.576 0.300 1 1011 167 89 SER N N 121.486 0.300 1 1012 168 90 MET H H 8.409 0.020 1 1013 168 90 MET HA H 4.531 0.020 1 1014 168 90 MET HB2 H 2.320 0.020 2 1015 168 90 MET HB3 H 2.071 0.020 2 1016 168 90 MET HE H 1.798 0.020 1 1017 168 90 MET HG2 H 2.468 0.020 2 1018 168 90 MET HG3 H 2.579 0.020 2 1019 168 90 MET C C 177.396 0.300 1 1020 168 90 MET CA C 56.283 0.300 1 1021 168 90 MET CB C 35.048 0.300 1 1022 168 90 MET CE C 16.457 0.300 1 1023 168 90 MET CG C 31.277 0.300 1 1024 168 90 MET N N 124.849 0.300 1 1025 169 91 THR H H 8.981 0.020 1 1026 169 91 THR HA H 4.589 0.020 1 1027 169 91 THR HB H 4.769 0.020 1 1028 169 91 THR HG2 H 1.421 0.020 1 1029 169 91 THR C C 173.532 0.300 1 1030 169 91 THR CA C 61.052 0.300 1 1031 169 91 THR CB C 68.249 0.300 1 1032 169 91 THR CG2 C 22.122 0.300 1 1033 169 91 THR N N 122.910 0.300 1 1034 170 92 PRO HA H 4.151 0.020 1 1035 170 92 PRO HB2 H 2.815 0.020 2 1036 170 92 PRO HB3 H 2.815 0.020 2 1037 170 92 PRO HG2 H 2.210 0.020 2 1038 170 92 PRO HG3 H 1.948 0.020 2 1039 170 92 PRO C C 177.481 0.300 1 1040 170 92 PRO CA C 66.599 0.300 1 1041 170 92 PRO CB C 31.740 0.300 1 1042 170 92 PRO CG C 28.096 0.300 1 1043 171 93 ALA H H 7.833 0.020 1 1044 171 93 ALA HA H 4.135 0.020 1 1045 171 93 ALA HB H 1.375 0.020 1 1046 171 93 ALA C C 180.982 0.300 1 1047 171 93 ALA CA C 54.982 0.300 1 1048 171 93 ALA CB C 18.373 0.300 1 1049 171 93 ALA N N 115.945 0.300 1 1050 172 94 GLN H H 7.868 0.020 1 1051 172 94 GLN HA H 3.911 0.020 1 1052 172 94 GLN HB2 H 1.995 0.020 2 1053 172 94 GLN HB3 H 2.337 0.020 2 1054 172 94 GLN HE21 H 6.832 0.020 2 1055 172 94 GLN HE22 H 7.849 0.020 2 1056 172 94 GLN HG2 H 2.459 0.020 2 1057 172 94 GLN HG3 H 2.459 0.020 2 1058 172 94 GLN C C 178.279 0.300 1 1059 172 94 GLN CA C 58.547 0.300 1 1060 172 94 GLN CB C 28.318 0.300 1 1061 172 94 GLN CG C 33.704 0.300 1 1062 172 94 GLN N N 118.910 0.300 1 1063 172 94 GLN NE2 N 112.382 0.300 1 1064 173 95 ALA H H 8.459 0.020 1 1065 173 95 ALA HA H 4.066 0.020 1 1066 173 95 ALA HB H 1.569 0.020 1 1067 173 95 ALA C C 179.362 0.300 1 1068 173 95 ALA CA C 55.413 0.300 1 1069 173 95 ALA CB C 17.730 0.300 1 1070 173 95 ALA N N 123.672 0.300 1 1071 174 96 ASP H H 8.541 0.020 1 1072 174 96 ASP HA H 4.317 0.020 1 1073 174 96 ASP HB2 H 2.547 0.020 2 1074 174 96 ASP HB3 H 2.803 0.020 2 1075 174 96 ASP C C 178.340 0.300 1 1076 174 96 ASP CA C 57.230 0.300 1 1077 174 96 ASP CB C 40.024 0.300 1 1078 174 96 ASP N N 119.397 0.300 1 1079 175 97 LEU H H 7.798 0.020 1 1080 175 97 LEU HA H 3.968 0.020 1 1081 175 97 LEU HB2 H 1.773 0.020 2 1082 175 97 LEU HB3 H 1.668 0.020 2 1083 175 97 LEU HD1 H 0.852 0.020 2 1084 175 97 LEU HD2 H 0.846 0.020 2 1085 175 97 LEU HG H 1.637 0.020 1 1086 175 97 LEU C C 179.822 0.300 1 1087 175 97 LEU CA C 58.737 0.300 1 1088 175 97 LEU CB C 41.661 0.300 1 1089 175 97 LEU CD1 C 24.752 0.300 1 1090 175 97 LEU CD2 C 24.268 0.300 1 1091 175 97 LEU CG C 27.024 0.300 1 1092 175 97 LEU N N 120.724 0.300 1 1093 176 98 GLU H H 8.172 0.020 1 1094 176 98 GLU HA H 3.885 0.020 1 1095 176 98 GLU HB2 H 0.989 0.020 2 1096 176 98 GLU HB3 H 0.989 0.020 2 1097 176 98 GLU HG2 H 1.955 0.020 2 1098 176 98 GLU HG3 H 2.148 0.020 2 1099 176 98 GLU C C 180.447 0.300 1 1100 176 98 GLU CA C 58.870 0.300 1 1101 176 98 GLU CB C 27.413 0.300 1 1102 176 98 GLU CG C 35.450 0.300 1 1103 176 98 GLU N N 119.724 0.300 1 1104 177 99 PHE H H 8.542 0.020 1 1105 177 99 PHE HA H 3.819 0.020 1 1106 177 99 PHE HB2 H 3.080 0.020 2 1107 177 99 PHE HB3 H 3.803 0.020 2 1108 177 99 PHE HD1 H 7.408 0.020 1 1109 177 99 PHE HD2 H 7.408 0.020 1 1110 177 99 PHE HE1 H 6.947 0.020 1 1111 177 99 PHE HE2 H 6.947 0.020 1 1112 177 99 PHE HZ H 7.375 0.020 1 1113 177 99 PHE C C 176.805 0.300 1 1114 177 99 PHE CA C 62.277 0.300 1 1115 177 99 PHE CB C 38.948 0.300 1 1116 177 99 PHE CD1 C 132.240 0.300 1 1117 177 99 PHE CD2 C 132.240 0.300 1 1118 177 99 PHE CE1 C 129.632 0.300 1 1119 177 99 PHE CE2 C 129.632 0.300 1 1120 177 99 PHE CZ C 131.777 0.300 1 1121 177 99 PHE N N 123.837 0.300 1 1122 178 100 LEU H H 8.532 0.020 1 1123 178 100 LEU HA H 4.028 0.020 1 1124 178 100 LEU HB2 H 2.007 0.020 2 1125 178 100 LEU HB3 H 1.661 0.020 2 1126 178 100 LEU HD1 H 0.881 0.020 2 1127 178 100 LEU HD2 H 0.795 0.020 2 1128 178 100 LEU HG H 2.077 0.020 1 1129 178 100 LEU C C 179.884 0.300 1 1130 178 100 LEU CA C 58.046 0.300 1 1131 178 100 LEU CB C 41.419 0.300 1 1132 178 100 LEU CD1 C 25.736 0.300 1 1133 178 100 LEU CD2 C 23.392 0.300 1 1134 178 100 LEU CG C 26.633 0.300 1 1135 178 100 LEU N N 119.496 0.300 1 1136 179 101 GLU H H 8.769 0.020 1 1137 179 101 GLU HA H 4.043 0.020 1 1138 179 101 GLU HB2 H 1.941 0.020 2 1139 179 101 GLU HB3 H 2.077 0.020 2 1140 179 101 GLU HG2 H 2.256 0.020 2 1141 179 101 GLU HG3 H 2.256 0.020 2 1142 179 101 GLU C C 179.881 0.300 1 1143 179 101 GLU CA C 59.465 0.300 1 1144 179 101 GLU CB C 29.478 0.300 1 1145 179 101 GLU CG C 36.265 0.300 1 1146 179 101 GLU N N 120.825 0.300 1 1147 180 102 ASN H H 7.865 0.020 1 1148 180 102 ASN HA H 4.329 0.020 1 1149 180 102 ASN HB2 H 2.724 0.020 2 1150 180 102 ASN HB3 H 2.249 0.020 2 1151 180 102 ASN HD21 H 7.499 0.020 2 1152 180 102 ASN HD22 H 7.757 0.020 2 1153 180 102 ASN C C 176.692 0.300 1 1154 180 102 ASN CA C 57.537 0.300 1 1155 180 102 ASN CB C 40.085 0.300 1 1156 180 102 ASN N N 116.591 0.300 1 1157 180 102 ASN ND2 N 117.152 0.300 1 1158 181 103 ALA H H 8.744 0.020 1 1159 181 103 ALA HA H 4.130 0.020 1 1160 181 103 ALA HB H 1.324 0.020 1 1161 181 103 ALA C C 179.546 0.300 1 1162 181 103 ALA CA C 55.148 0.300 1 1163 181 103 ALA CB C 18.154 0.300 1 1164 181 103 ALA N N 122.431 0.300 1 1165 182 104 LYS H H 8.493 0.020 1 1166 182 104 LYS HA H 3.786 0.020 1 1167 182 104 LYS HB2 H 1.838 0.020 2 1168 182 104 LYS HB3 H 1.937 0.020 2 1169 182 104 LYS HD2 H 1.370 0.020 2 1170 182 104 LYS HD3 H 1.410 0.020 2 1171 182 104 LYS HE2 H 2.624 0.020 2 1172 182 104 LYS HE3 H 2.739 0.020 2 1173 182 104 LYS HG2 H 1.259 0.020 2 1174 182 104 LYS HG3 H 1.398 0.020 2 1175 182 104 LYS C C 180.012 0.300 1 1176 182 104 LYS CA C 58.547 0.300 1 1177 182 104 LYS CB C 31.194 0.300 1 1178 182 104 LYS CD C 28.127 0.300 1 1179 182 104 LYS CE C 41.694 0.300 1 1180 182 104 LYS CG C 24.040 0.300 1 1181 182 104 LYS N N 119.195 0.300 1 1182 183 105 LYS H H 7.661 0.020 1 1183 183 105 LYS HA H 4.111 0.020 1 1184 183 105 LYS HB2 H 1.970 0.020 2 1185 183 105 LYS HB3 H 1.970 0.020 2 1186 183 105 LYS HD2 H 1.675 0.020 2 1187 183 105 LYS HD3 H 1.675 0.020 2 1188 183 105 LYS HE2 H 2.944 0.020 2 1189 183 105 LYS HE3 H 2.944 0.020 2 1190 183 105 LYS HG2 H 1.653 0.020 2 1191 183 105 LYS HG3 H 1.506 0.020 2 1192 183 105 LYS C C 178.010 0.300 1 1193 183 105 LYS CA C 58.823 0.300 1 1194 183 105 LYS CB C 32.287 0.300 1 1195 183 105 LYS CD C 29.434 0.300 1 1196 183 105 LYS CE C 41.946 0.300 1 1197 183 105 LYS CG C 25.380 0.300 1 1198 183 105 LYS N N 120.301 0.300 1 1199 184 106 LEU H H 7.403 0.020 1 1200 184 106 LEU HA H 4.385 0.020 1 1201 184 106 LEU HB2 H 1.768 0.020 2 1202 184 106 LEU HB3 H 1.768 0.020 2 1203 184 106 LEU HD1 H 0.906 0.020 2 1204 184 106 LEU HD2 H 0.917 0.020 2 1205 184 106 LEU C C 176.332 0.300 1 1206 184 106 LEU CA C 54.857 0.300 1 1207 184 106 LEU CB C 42.054 0.300 1 1208 184 106 LEU CD1 C 26.544 0.300 1 1209 184 106 LEU CD2 C 22.569 0.300 1 1210 184 106 LEU N N 118.606 0.300 1 1211 185 107 SER H H 8.123 0.020 1 1212 185 107 SER HA H 4.202 0.020 1 1213 185 107 SER HB2 H 3.994 0.020 2 1214 185 107 SER HB3 H 4.031 0.020 2 1215 185 107 SER C C 174.826 0.300 1 1216 185 107 SER CA C 58.894 0.300 1 1217 185 107 SER CB C 61.684 0.300 1 1218 185 107 SER N N 113.023 0.300 1 1219 186 108 MET H H 8.212 0.020 1 1220 186 108 MET HA H 4.188 0.020 1 1221 186 108 MET HB2 H 2.255 0.020 2 1222 186 108 MET HB3 H 1.808 0.020 2 1223 186 108 MET HE H 1.973 0.020 1 1224 186 108 MET HG2 H 2.596 0.020 2 1225 186 108 MET HG3 H 2.473 0.020 2 1226 186 108 MET C C 174.495 0.300 1 1227 186 108 MET CA C 57.328 0.300 1 1228 186 108 MET CB C 33.414 0.300 1 1229 186 108 MET CE C 18.041 0.300 1 1230 186 108 MET CG C 33.058 0.300 1 1231 186 108 MET N N 117.267 0.300 1 1232 187 109 TYR H H 7.461 0.020 1 1233 187 109 TYR HA H 4.293 0.020 1 1234 187 109 TYR HB2 H 2.966 0.020 2 1235 187 109 TYR HB3 H 2.966 0.020 2 1236 187 109 TYR HD1 H 6.907 0.020 1 1237 187 109 TYR HD2 H 6.907 0.020 1 1238 187 109 TYR HE1 H 6.812 0.020 1 1239 187 109 TYR HE2 H 6.812 0.020 1 1240 187 109 TYR C C 178.918 0.300 1 1241 187 109 TYR CA C 58.548 0.300 1 1242 187 109 TYR CB C 39.121 0.300 1 1243 187 109 TYR CD1 C 133.227 0.300 1 1244 187 109 TYR CD2 C 133.227 0.300 1 1245 187 109 TYR CE1 C 117.841 0.300 1 1246 187 109 TYR CE2 C 117.841 0.300 1 1247 187 109 TYR N N 120.895 0.300 1 stop_ save_