data_34184 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 4th KOW domain of human hSpt5 ; _BMRB_accession_number 34184 _BMRB_flat_file_name bmr34184.str _Entry_type original _Submission_date 2017-10-16 _Accession_date 2017-10-16 _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 Zuber P. K. . 2 Schweimer K. . . 3 Roesch P. . . 4 Woehrl B. M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 682 "13C chemical shifts" 522 "15N chemical shifts" 126 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2018-10-12 original BMRB . stop_ _Original_release_date 2018-10-08 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure and nucleic acid binding properties of KOW domains 4 and 6-7 of human transcription elongation factor DSIF. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 30076330 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zuber P. K. . 2 Hahn L. . . 3 Reinl A. . . 4 Schweimer K. . . 5 Knauer S. H. . 6 Gottesman M. E. . 7 Rosch P. . . 8 Wohrl B. M. . stop_ _Journal_abbreviation 'Sci. Rep.' _Journal_volume 8 _Journal_issue . _Journal_ISSN 2045-2322 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11660 _Page_last 11660 _Year 2018 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Transcription elongation factor SPT5' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity_1 $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity_1 _Molecular_mass 14414.549 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 129 _Mol_residue_sequence ; AMGSETASGVDVGGQHEWGE LVQLDPQTVGVIVRLERETF QVLNMYGKVVTVRHQAVTRK KDNRFAVALDSEQNNIHVKD IVKVIDGPHSGREGEIRHLF RSFAFLHCKKLVENGGMFVC KTRHLVLAG ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 2 ALA 2 3 MET 3 4 GLY 4 5 SER 5 6 GLU 6 7 THR 7 8 ALA 8 9 SER 9 10 GLY 10 11 VAL 11 12 ASP 12 13 VAL 13 14 GLY 14 15 GLY 15 16 GLN 16 17 HIS 17 18 GLU 18 19 TRP 19 20 GLY 20 21 GLU 21 22 LEU 22 23 VAL 23 24 GLN 24 25 LEU 25 26 ASP 26 27 PRO 27 28 GLN 28 29 THR 29 30 VAL 30 31 GLY 31 32 VAL 32 33 ILE 33 34 VAL 34 35 ARG 35 36 LEU 36 37 GLU 37 38 ARG 38 39 GLU 39 40 THR 40 41 PHE 41 42 GLN 42 43 VAL 43 44 LEU 44 45 ASN 45 46 MET 46 47 TYR 47 48 GLY 48 49 LYS 49 50 VAL 50 51 VAL 51 52 THR 52 53 VAL 53 54 ARG 54 55 HIS 55 56 GLN 56 57 ALA 57 58 VAL 58 59 THR 59 60 ARG 60 61 LYS 61 62 LYS 62 63 ASP 63 64 ASN 64 65 ARG 65 66 PHE 66 67 ALA 67 68 VAL 68 69 ALA 69 70 LEU 70 71 ASP 71 72 SER 72 73 GLU 73 74 GLN 74 75 ASN 75 76 ASN 76 77 ILE 77 78 HIS 78 79 VAL 79 80 LYS 80 81 ASP 81 82 ILE 82 83 VAL 83 84 LYS 84 85 VAL 85 86 ILE 86 87 ASP 87 88 GLY 88 89 PRO 89 90 HIS 90 91 SER 91 92 GLY 92 93 ARG 93 94 GLU 94 95 GLY 95 96 GLU 96 97 ILE 97 98 ARG 98 99 HIS 99 100 LEU 100 101 PHE 101 102 ARG 102 103 SER 103 104 PHE 104 105 ALA 105 106 PHE 106 107 LEU 107 108 HIS 108 109 CYS 109 110 LYS 110 111 LYS 111 112 LEU 112 113 VAL 113 114 GLU 114 115 ASN 115 116 GLY 116 117 GLY 117 118 MET 118 119 PHE 119 120 VAL 120 121 CYS 121 122 LYS 122 123 THR 123 124 ARG 124 125 HIS 125 126 LEU 126 127 VAL 127 128 LEU 128 129 ALA 129 130 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . 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 $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'SUPT5H, SPT5, SPT5H' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity_1 'recombinant technology' . . . . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '0.6 mM [U-99% 13C; U-99% 15N] KOW4, 20 mM sodium phosphate, 20 mM sodium chloride, 0.5 mM DTT, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.6 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 20 mM 'natural abundance' DTT 0.5 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_software_2 _Saveframe_category software _Name 'X-PLOR NIH' _Version . loop_ _Vendor _Address _Electronic_address 'Schwieters, Kuszewski, Tjandra and Clore' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 700 _Details cryoprobe save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AvanceIII _Field_strength 1000 _Details 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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_CCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_C(CO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 40 . mM pH 6.4 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_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 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D HNCO' '3D HNCA' '3D 1H-13C NOESY aliphatic' '3D 1H-15N NOESY' '3D CCH-TOCSY' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '3D HNCACB' '3D C(CO)NH' '3D CBCA(CO)NH' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name entity_1 _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 3 2 MET HA H 4.50 0.03 1 2 3 2 MET HB2 H 2.12 0.03 2 3 3 2 MET HB3 H 2.05 0.03 2 4 3 2 MET HE H 2.10 0.03 1 5 3 2 MET CA C 55.68 0.20 1 6 3 2 MET CB C 32.12 0.20 1 7 3 2 MET CG C 32.12 0.20 1 8 3 2 MET CE C 16.89 0.20 1 9 4 3 GLY H H 8.53 0.03 1 10 4 3 GLY HA2 H 4.03 0.03 2 11 4 3 GLY HA3 H 4.03 0.03 2 12 4 3 GLY C C 174.33 0.20 1 13 4 3 GLY CA C 45.40 0.20 1 14 4 3 GLY N N 110.88 0.20 1 15 5 4 SER H H 8.25 0.03 1 16 5 4 SER HA H 3.89 0.03 1 17 5 4 SER HB2 H 4.48 0.03 2 18 5 4 SER HB3 H 4.48 0.03 2 19 5 4 SER C C 174.86 0.20 1 20 5 4 SER CA C 58.49 0.20 1 21 5 4 SER CB C 63.99 0.20 1 22 5 4 SER N N 115.70 0.20 1 23 6 5 GLU H H 8.70 0.03 1 24 6 5 GLU HA H 4.37 0.03 1 25 6 5 GLU HB2 H 2.11 0.03 2 26 6 5 GLU HB3 H 1.98 0.03 2 27 6 5 GLU HG2 H 2.32 0.03 2 28 6 5 GLU HG3 H 2.28 0.03 2 29 6 5 GLU C C 176.85 0.20 1 30 6 5 GLU CA C 57.03 0.20 1 31 6 5 GLU CB C 30.10 0.20 1 32 6 5 GLU CG C 36.28 0.20 1 33 6 5 GLU N N 122.96 0.20 1 34 7 6 THR H H 8.17 0.03 1 35 7 6 THR HA H 4.33 0.03 1 36 7 6 THR HB H 4.22 0.03 1 37 7 6 THR HG2 H 1.21 0.03 1 38 7 6 THR C C 174.46 0.20 1 39 7 6 THR CA C 61.91 0.20 1 40 7 6 THR CB C 69.88 0.20 1 41 7 6 THR CG2 C 21.63 0.20 1 42 7 6 THR N N 114.86 0.20 1 43 8 7 ALA H H 8.34 0.03 1 44 8 7 ALA HA H 4.39 0.03 1 45 8 7 ALA HB H 1.42 0.03 1 46 8 7 ALA C C 177.74 0.20 1 47 8 7 ALA CA C 52.63 0.20 1 48 8 7 ALA CB C 19.26 0.20 1 49 8 7 ALA N N 126.83 0.20 1 50 9 8 SER H H 8.35 0.03 1 51 9 8 SER HA H 4.46 0.03 1 52 9 8 SER HB2 H 3.89 0.03 2 53 9 8 SER HB3 H 3.89 0.03 2 54 9 8 SER C C 175.15 0.20 1 55 9 8 SER CA C 58.53 0.20 1 56 9 8 SER CB C 64.00 0.20 1 57 9 8 SER N N 115.25 0.20 1 58 10 9 GLY H H 8.40 0.03 1 59 10 9 GLY HA2 H 4.02 0.03 2 60 10 9 GLY HA3 H 4.02 0.03 2 61 10 9 GLY C C 174.11 0.20 1 62 10 9 GLY CA C 45.44 0.20 1 63 10 9 GLY N N 110.93 0.20 1 64 11 10 VAL H H 7.93 0.03 1 65 11 10 VAL HA H 4.13 0.03 1 66 11 10 VAL HB H 2.07 0.03 1 67 11 10 VAL HG1 H 0.90 0.03 2 68 11 10 VAL HG2 H 0.90 0.03 2 69 11 10 VAL C C 175.79 0.20 1 70 11 10 VAL CA C 62.20 0.20 1 71 11 10 VAL CB C 32.91 0.20 1 72 11 10 VAL CG1 C 20.92 0.20 2 73 11 10 VAL CG2 C 20.92 0.20 2 74 11 10 VAL N N 118.71 0.20 1 75 12 11 ASP H H 8.48 0.03 1 76 12 11 ASP HA H 4.67 0.03 1 77 12 11 ASP HB2 H 2.76 0.03 2 78 12 11 ASP HB3 H 2.61 0.03 2 79 12 11 ASP C C 176.53 0.20 1 80 12 11 ASP CA C 54.20 0.20 1 81 12 11 ASP CB C 41.25 0.20 1 82 12 11 ASP N N 124.13 0.20 1 83 13 12 VAL H H 8.17 0.03 1 84 13 12 VAL HA H 4.15 0.03 1 85 13 12 VAL HB H 2.18 0.03 1 86 13 12 VAL HG1 H 0.92 0.03 2 87 13 12 VAL HG2 H 0.92 0.03 2 88 13 12 VAL C C 177.01 0.20 1 89 13 12 VAL CA C 62.55 0.20 1 90 13 12 VAL CB C 32.36 0.20 1 91 13 12 VAL CG1 C 20.14 0.20 2 92 13 12 VAL CG2 C 21.32 0.20 2 93 13 12 VAL N N 120.38 0.20 1 94 14 13 GLY H H 8.52 0.03 1 95 14 13 GLY HA2 H 3.94 0.03 2 96 14 13 GLY HA3 H 3.94 0.03 2 97 14 13 GLY C C 174.80 0.20 1 98 14 13 GLY CA C 45.58 0.20 1 99 14 13 GLY N N 111.60 0.20 1 100 15 14 GLY H H 8.21 0.03 1 101 15 14 GLY HA2 H 3.90 0.03 2 102 15 14 GLY HA3 H 3.90 0.03 2 103 15 14 GLY C C 174.06 0.20 1 104 15 14 GLY CA C 45.30 0.20 1 105 15 14 GLY N N 108.41 0.20 1 106 16 15 GLN H H 8.17 0.03 1 107 16 15 GLN HA H 4.26 0.03 1 108 16 15 GLN HB2 H 2.03 0.03 2 109 16 15 GLN HB3 H 1.88 0.03 2 110 16 15 GLN HG2 H 2.28 0.03 2 111 16 15 GLN HG3 H 2.28 0.03 2 112 16 15 GLN C C 175.66 0.20 1 113 16 15 GLN CA C 55.69 0.20 1 114 16 15 GLN CB C 29.50 0.20 1 115 16 15 GLN CG C 35.74 0.20 1 116 16 15 GLN N N 119.28 0.20 1 117 17 16 HIS H H 8.22 0.03 1 118 17 16 HIS HA H 4.89 0.03 1 119 17 16 HIS HB2 H 2.44 0.03 2 120 17 16 HIS HB3 H 2.59 0.03 2 121 17 16 HIS HD2 H 7.09 0.03 1 122 17 16 HIS C C 174.11 0.20 1 123 17 16 HIS CA C 55.66 0.20 1 124 17 16 HIS CB C 31.69 0.20 1 125 17 16 HIS N N 119.76 0.20 1 126 18 17 GLU H H 8.13 0.03 1 127 18 17 GLU HA H 4.63 0.03 1 128 18 17 GLU HB2 H 2.09 0.03 2 129 18 17 GLU HB3 H 1.87 0.03 2 130 18 17 GLU HG2 H 2.18 0.03 2 131 18 17 GLU HG3 H 2.18 0.03 2 132 18 17 GLU C C 174.70 0.20 1 133 18 17 GLU CA C 54.26 0.20 1 134 18 17 GLU CB C 33.45 0.20 1 135 18 17 GLU CG C 36.04 0.20 1 136 18 17 GLU N N 118.21 0.20 1 137 19 18 TRP H H 8.87 0.03 1 138 19 18 TRP HA H 3.44 0.03 1 139 19 18 TRP HB2 H 3.20 0.03 2 140 19 18 TRP HB3 H 3.09 0.03 2 141 19 18 TRP HD1 H 6.93 0.03 1 142 19 18 TRP HE1 H 9.50 0.03 1 143 19 18 TRP HE3 H 7.28 0.03 1 144 19 18 TRP HZ2 H 7.76 0.03 1 145 19 18 TRP HZ3 H 6.87 0.03 1 146 19 18 TRP HH2 H 7.00 0.03 1 147 19 18 TRP C C 178.11 0.20 1 148 19 18 TRP CA C 61.74 0.20 1 149 19 18 TRP CB C 28.90 0.20 1 150 19 18 TRP CD1 C 126.19 0.20 1 151 19 18 TRP CZ2 C 114.65 0.20 1 152 19 18 TRP CZ3 C 121.68 0.20 1 153 19 18 TRP CH2 C 124.89 0.20 1 154 19 18 TRP N N 121.09 0.20 1 155 19 18 TRP NE1 N 128.33 0.20 1 156 20 19 GLY H H 8.05 0.03 1 157 20 19 GLY HA2 H 2.40 0.03 2 158 20 19 GLY HA3 H 3.52 0.03 2 159 20 19 GLY C C 172.75 0.20 1 160 20 19 GLY CA C 45.53 0.20 1 161 20 19 GLY N N 116.47 0.20 1 162 21 20 GLU H H 7.13 0.03 1 163 21 20 GLU HA H 4.11 0.03 1 164 21 20 GLU HB2 H 2.11 0.03 2 165 21 20 GLU HB3 H 1.83 0.03 2 166 21 20 GLU HG2 H 2.17 0.03 2 167 21 20 GLU HG3 H 2.08 0.03 2 168 21 20 GLU C C 174.20 0.20 1 169 21 20 GLU CA C 55.94 0.20 1 170 21 20 GLU CB C 31.68 0.20 1 171 21 20 GLU CG C 35.24 0.20 1 172 21 20 GLU N N 121.00 0.20 1 173 22 21 LEU H H 8.11 0.03 1 174 22 21 LEU HA H 4.15 0.03 1 175 22 21 LEU HB2 H -0.43 0.03 2 176 22 21 LEU HB3 H 1.48 0.03 2 177 22 21 LEU HG H 0.81 0.03 1 178 22 21 LEU HD1 H 0.52 0.03 2 179 22 21 LEU HD2 H -0.05 0.03 2 180 22 21 LEU C C 175.83 0.20 1 181 22 21 LEU CA C 53.90 0.20 1 182 22 21 LEU CB C 41.74 0.20 1 183 22 21 LEU CG C 26.50 0.20 1 184 22 21 LEU CD1 C 26.21 0.20 2 185 22 21 LEU CD2 C 23.49 0.20 2 186 22 21 LEU N N 126.02 0.20 1 187 23 22 VAL H H 8.96 0.03 1 188 23 22 VAL HA H 4.85 0.03 1 189 23 22 VAL HB H 1.70 0.03 1 190 23 22 VAL HG1 H 0.48 0.03 2 191 23 22 VAL HG2 H 0.25 0.03 2 192 23 22 VAL C C 173.93 0.20 1 193 23 22 VAL CA C 58.02 0.20 1 194 23 22 VAL CB C 35.70 0.20 1 195 23 22 VAL CG1 C 22.35 0.20 2 196 23 22 VAL CG2 C 18.25 0.20 2 197 23 22 VAL N N 118.14 0.20 1 198 24 23 GLN H H 8.93 0.03 1 199 24 23 GLN HA H 4.33 0.03 1 200 24 23 GLN HB2 H 2.05 0.03 2 201 24 23 GLN HB3 H 1.77 0.03 2 202 24 23 GLN HG2 H 2.17 0.03 2 203 24 23 GLN HG3 H 2.17 0.03 2 204 24 23 GLN HE21 H 7.60 0.03 1 205 24 23 GLN HE22 H 6.67 0.03 1 206 24 23 GLN C C 176.16 0.20 1 207 24 23 GLN CA C 55.10 0.20 1 208 24 23 GLN CB C 29.87 0.20 1 209 24 23 GLN CG C 33.72 0.20 1 210 24 23 GLN N N 121.31 0.20 1 211 24 23 GLN NE2 N 112.40 0.20 1 212 25 24 LEU H H 8.51 0.03 1 213 25 24 LEU HA H 4.39 0.03 1 214 25 24 LEU HB2 H 1.62 0.03 2 215 25 24 LEU HB3 H 1.29 0.03 2 216 25 24 LEU HG H 1.27 0.03 1 217 25 24 LEU HD1 H 0.73 0.03 2 218 25 24 LEU HD2 H 0.68 0.03 2 219 25 24 LEU C C 176.20 0.20 1 220 25 24 LEU CA C 56.45 0.20 1 221 25 24 LEU CB C 43.45 0.20 1 222 25 24 LEU CG C 28.00 0.20 1 223 25 24 LEU CD1 C 23.94 0.20 2 224 25 24 LEU CD2 C 25.60 0.20 2 225 25 24 LEU N N 128.04 0.20 1 226 26 25 ASP H H 8.36 0.03 1 227 26 25 ASP HA H 4.73 0.03 1 228 26 25 ASP HB2 H 3.16 0.03 2 229 26 25 ASP HB3 H 3.00 0.03 2 230 26 25 ASP CA C 53.19 0.20 1 231 26 25 ASP CB C 39.42 0.20 1 232 26 25 ASP N N 117.08 0.20 1 233 27 26 PRO HA H 4.28 0.03 1 234 27 26 PRO HB2 H 2.46 0.03 2 235 27 26 PRO HB3 H 1.92 0.03 2 236 27 26 PRO HG2 H 2.19 0.03 2 237 27 26 PRO HG3 H 1.93 0.03 2 238 27 26 PRO HD2 H 3.87 0.03 2 239 27 26 PRO HD3 H 3.67 0.03 2 240 27 26 PRO C C 176.59 0.20 1 241 27 26 PRO CA C 66.38 0.20 1 242 27 26 PRO CB C 32.06 0.20 1 243 27 26 PRO CG C 28.13 0.20 1 244 27 26 PRO CD C 50.87 0.20 1 245 28 27 GLN H H 8.17 0.03 1 246 28 27 GLN HA H 4.70 0.03 1 247 28 27 GLN HB2 H 2.05 0.03 2 248 28 27 GLN HB3 H 2.38 0.03 2 249 28 27 GLN HG2 H 2.40 0.03 2 250 28 27 GLN HG3 H 2.40 0.03 2 251 28 27 GLN C C 176.12 0.20 1 252 28 27 GLN CA C 55.53 0.20 1 253 28 27 GLN CB C 31.16 0.20 1 254 28 27 GLN CG C 34.18 0.20 1 255 28 27 GLN N N 111.85 0.20 1 256 29 28 THR H H 7.74 0.03 1 257 29 28 THR HA H 4.72 0.03 1 258 29 28 THR HB H 3.74 0.03 1 259 29 28 THR HG2 H 1.33 0.03 1 260 29 28 THR C C 173.49 0.20 1 261 29 28 THR CA C 63.65 0.20 1 262 29 28 THR CB C 69.83 0.20 1 263 29 28 THR CG2 C 21.43 0.20 1 264 29 28 THR N N 116.41 0.20 1 265 30 29 VAL H H 7.37 0.03 1 266 30 29 VAL HA H 5.17 0.03 1 267 30 29 VAL HB H 1.77 0.03 1 268 30 29 VAL HG1 H 0.12 0.03 2 269 30 29 VAL HG2 H 0.34 0.03 2 270 30 29 VAL C C 174.82 0.20 1 271 30 29 VAL CA C 58.23 0.20 1 272 30 29 VAL CB C 34.45 0.20 1 273 30 29 VAL CG1 C 20.20 0.20 2 274 30 29 VAL CG2 C 19.60 0.20 2 275 30 29 VAL N N 119.47 0.20 1 276 31 30 GLY H H 8.48 0.03 1 277 31 30 GLY HA2 H 3.28 0.03 2 278 31 30 GLY HA3 H 4.43 0.03 2 279 31 30 GLY C C 169.50 0.20 1 280 31 30 GLY CA C 46.49 0.20 1 281 31 30 GLY N N 106.44 0.20 1 282 32 31 VAL H H 8.26 0.03 1 283 32 31 VAL HA H 5.05 0.03 1 284 32 31 VAL HB H 1.11 0.03 1 285 32 31 VAL HG1 H 0.04 0.03 2 286 32 31 VAL HG2 H 0.25 0.03 2 287 32 31 VAL C C 175.63 0.20 1 288 32 31 VAL CA C 57.39 0.20 1 289 32 31 VAL CB C 34.88 0.20 1 290 32 31 VAL CG1 C 21.89 0.20 2 291 32 31 VAL CG2 C 21.22 0.20 2 292 32 31 VAL N N 114.00 0.20 1 293 33 32 ILE H H 7.97 0.03 1 294 33 32 ILE HA H 3.67 0.03 1 295 33 32 ILE HB H 1.48 0.03 1 296 33 32 ILE HG12 H 0.09 0.03 2 297 33 32 ILE HG13 H 1.31 0.03 2 298 33 32 ILE HG2 H 0.46 0.03 1 299 33 32 ILE HD1 H -0.27 0.03 1 300 33 32 ILE C C 175.91 0.20 1 301 33 32 ILE CA C 63.95 0.20 1 302 33 32 ILE CB C 38.09 0.20 1 303 33 32 ILE CG2 C 17.65 0.20 1 304 33 32 ILE CD1 C 12.35 0.20 1 305 33 32 ILE N N 124.92 0.20 1 306 34 33 VAL H H 8.80 0.03 1 307 34 33 VAL HA H 4.46 0.03 1 308 34 33 VAL HB H 2.48 0.03 1 309 34 33 VAL HG1 H 0.77 0.03 2 310 34 33 VAL HG2 H 0.68 0.03 2 311 34 33 VAL C C 176.80 0.20 1 312 34 33 VAL CA C 60.53 0.20 1 313 34 33 VAL CB C 33.28 0.20 1 314 34 33 VAL CG1 C 23.25 0.20 2 315 34 33 VAL CG2 C 18.40 0.20 2 316 34 33 VAL N N 118.72 0.20 1 317 35 34 ARG H H 7.77 0.03 1 318 35 34 ARG HA H 4.68 0.03 1 319 35 34 ARG HB2 H 2.00 0.03 2 320 35 34 ARG HB3 H 1.66 0.03 2 321 35 34 ARG HG2 H 1.86 0.03 2 322 35 34 ARG HG3 H 1.63 0.03 2 323 35 34 ARG HD2 H 3.27 0.03 2 324 35 34 ARG HD3 H 3.27 0.03 2 325 35 34 ARG C C 174.44 0.20 1 326 35 34 ARG CA C 58.16 0.20 1 327 35 34 ARG CB C 34.58 0.20 1 328 35 34 ARG CG C 28.08 0.20 1 329 35 34 ARG CD C 43.62 0.20 1 330 35 34 ARG N N 121.74 0.20 1 331 36 35 LEU H H 9.37 0.03 1 332 36 35 LEU HA H 4.94 0.03 1 333 36 35 LEU HB2 H 1.90 0.03 2 334 36 35 LEU HB3 H 1.90 0.03 2 335 36 35 LEU HG H 1.68 0.03 1 336 36 35 LEU HD1 H 1.02 0.03 2 337 36 35 LEU HD2 H 0.85 0.03 2 338 36 35 LEU C C 175.29 0.20 1 339 36 35 LEU CA C 56.66 0.20 1 340 36 35 LEU CB C 41.94 0.20 1 341 36 35 LEU CG C 28.98 0.20 1 342 36 35 LEU CD1 C 25.96 0.20 2 343 36 35 LEU CD2 C 25.86 0.20 2 344 36 35 LEU N N 129.12 0.20 1 345 37 36 GLU H H 7.92 0.03 1 346 37 36 GLU HA H 4.89 0.03 1 347 37 36 GLU HB2 H 2.24 0.03 2 348 37 36 GLU HB3 H 2.24 0.03 2 349 37 36 GLU HG2 H 2.13 0.03 2 350 37 36 GLU HG3 H 2.13 0.03 2 351 37 36 GLU C C 176.83 0.20 1 352 37 36 GLU CA C 54.55 0.20 1 353 37 36 GLU CB C 31.69 0.20 1 354 37 36 GLU CG C 37.43 0.20 1 355 37 36 GLU N N 121.85 0.20 1 356 38 37 ARG H H 8.58 0.03 1 357 38 37 ARG HA H 4.07 0.03 1 358 38 37 ARG HB2 H 1.93 0.03 2 359 38 37 ARG HB3 H 1.84 0.03 2 360 38 37 ARG HG2 H 1.74 0.03 2 361 38 37 ARG HG3 H 1.62 0.03 2 362 38 37 ARG HD2 H 3.30 0.03 2 363 38 37 ARG HD3 H 3.25 0.03 2 364 38 37 ARG CA C 60.45 0.20 1 365 38 37 ARG CB C 30.20 0.20 1 366 38 37 ARG CG C 27.58 0.20 1 367 38 37 ARG CD C 43.21 0.20 1 368 38 37 ARG N N 121.79 0.20 1 369 39 38 GLU H H 8.70 0.03 1 370 39 38 GLU HA H 3.98 0.03 1 371 39 38 GLU HB2 H 2.03 0.03 2 372 39 38 GLU HB3 H 1.81 0.03 2 373 39 38 GLU HG2 H 2.08 0.03 2 374 39 38 GLU HG3 H 2.08 0.03 2 375 39 38 GLU C C 175.82 0.20 1 376 39 38 GLU CA C 55.50 0.20 1 377 39 38 GLU CB C 32.19 0.20 1 378 39 38 GLU CG C 36.76 0.20 1 379 39 38 GLU N N 112.02 0.20 1 380 40 39 THR H H 6.74 0.03 1 381 40 39 THR HA H 4.81 0.03 1 382 40 39 THR HB H 4.07 0.03 1 383 40 39 THR HG2 H 0.81 0.03 1 384 40 39 THR C C 173.84 0.20 1 385 40 39 THR CA C 58.96 0.20 1 386 40 39 THR CB C 73.46 0.20 1 387 40 39 THR CG2 C 21.85 0.20 1 388 40 39 THR N N 108.21 0.20 1 389 41 40 PHE H H 9.31 0.03 1 390 41 40 PHE HA H 5.59 0.03 1 391 41 40 PHE HB2 H 2.44 0.03 2 392 41 40 PHE HB3 H 3.16 0.03 2 393 41 40 PHE HD1 H 7.05 0.03 1 394 41 40 PHE HD2 H 7.05 0.03 1 395 41 40 PHE HE1 H 6.90 0.03 1 396 41 40 PHE HE2 H 6.90 0.03 1 397 41 40 PHE HZ H 6.62 0.03 1 398 41 40 PHE C C 176.46 0.20 1 399 41 40 PHE CA C 54.97 0.20 1 400 41 40 PHE CB C 43.02 0.20 1 401 41 40 PHE CD1 C 130.62 0.20 1 402 41 40 PHE CD2 C 130.62 0.20 1 403 41 40 PHE CE1 C 130.79 0.20 1 404 41 40 PHE CE2 C 130.70 0.20 1 405 41 40 PHE CZ C 128.63 0.20 1 406 41 40 PHE N N 115.92 0.20 1 407 42 41 GLN H H 8.48 0.03 1 408 42 41 GLN HA H 5.24 0.03 1 409 42 41 GLN HB2 H 1.90 0.03 2 410 42 41 GLN HB3 H 1.77 0.03 2 411 42 41 GLN HG2 H 2.28 0.03 2 412 42 41 GLN HG3 H 2.28 0.03 2 413 42 41 GLN C C 176.11 0.20 1 414 42 41 GLN CA C 54.93 0.20 1 415 42 41 GLN CB C 29.68 0.20 1 416 42 41 GLN CG C 33.82 0.20 1 417 42 41 GLN N N 117.26 0.20 1 418 43 42 VAL H H 9.56 0.03 1 419 43 42 VAL HA H 4.55 0.03 1 420 43 42 VAL HB H 1.77 0.03 1 421 43 42 VAL HG1 H 0.36 0.03 2 422 43 42 VAL HG2 H 0.60 0.03 2 423 43 42 VAL C C 173.77 0.20 1 424 43 42 VAL CA C 59.93 0.20 1 425 43 42 VAL CB C 34.84 0.20 1 426 43 42 VAL CG1 C 21.51 0.20 2 427 43 42 VAL CG2 C 22.21 0.20 2 428 43 42 VAL N N 125.82 0.20 1 429 44 43 LEU H H 8.89 0.03 1 430 44 43 LEU HA H 4.70 0.03 1 431 44 43 LEU HB2 H 1.88 0.03 2 432 44 43 LEU HB3 H 1.12 0.03 2 433 44 43 LEU HG H 1.68 0.03 1 434 44 43 LEU HD1 H 0.84 0.03 2 435 44 43 LEU HD2 H 0.84 0.03 2 436 44 43 LEU C C 175.24 0.20 1 437 44 43 LEU CA C 53.42 0.20 1 438 44 43 LEU CB C 43.92 0.20 1 439 44 43 LEU CG C 27.06 0.20 1 440 44 43 LEU CD1 C 23.49 0.20 2 441 44 43 LEU CD2 C 23.49 0.20 2 442 44 43 LEU N N 129.57 0.20 1 443 45 44 ASN H H 9.57 0.03 1 444 45 44 ASN HA H 5.00 0.03 1 445 45 44 ASN HB2 H 2.90 0.03 2 446 45 44 ASN HB3 H 2.51 0.03 2 447 45 44 ASN CA C 51.57 0.20 1 448 45 44 ASN CB C 39.17 0.20 1 449 45 44 ASN N N 126.59 0.20 1 450 46 45 MET H H 7.45 0.03 1 451 46 45 MET HA H 3.72 0.03 1 452 46 45 MET HB2 H 1.14 0.03 2 453 46 45 MET HB3 H 1.14 0.03 2 454 46 45 MET HG2 H 0.46 0.03 2 455 46 45 MET HG3 H 1.75 0.03 2 456 46 45 MET HE H 2.09 0.03 1 457 46 45 MET C C 171.53 0.20 1 458 46 45 MET CA C 57.35 0.20 1 459 46 45 MET CB C 30.83 0.20 1 460 46 45 MET CG C 29.12 0.20 1 461 46 45 MET CE C 19.64 0.20 1 462 46 45 MET N N 112.36 0.20 1 463 47 46 TYR H H 7.10 0.03 1 464 47 46 TYR HA H 4.59 0.03 1 465 47 46 TYR HB2 H 3.40 0.03 2 466 47 46 TYR HB3 H 2.74 0.03 2 467 47 46 TYR HD1 H 7.04 0.03 1 468 47 46 TYR HD2 H 7.04 0.03 1 469 47 46 TYR HE1 H 6.90 0.03 1 470 47 46 TYR HE2 H 6.90 0.03 1 471 47 46 TYR C C 176.84 0.20 1 472 47 46 TYR CA C 57.08 0.20 1 473 47 46 TYR CB C 37.83 0.20 1 474 47 46 TYR CD1 C 132.33 0.20 1 475 47 46 TYR CD2 C 132.33 0.20 1 476 47 46 TYR CE1 C 118.43 0.20 1 477 47 46 TYR CE2 C 118.43 0.20 1 478 47 46 TYR N N 115.69 0.20 1 479 48 47 GLY H H 8.35 0.03 1 480 48 47 GLY HA2 H 4.39 0.03 2 481 48 47 GLY HA3 H 3.57 0.03 2 482 48 47 GLY C C 173.52 0.20 1 483 48 47 GLY CA C 45.59 0.20 1 484 48 47 GLY N N 108.04 0.20 1 485 49 48 LYS H H 7.65 0.03 1 486 49 48 LYS HA H 4.59 0.03 1 487 49 48 LYS HB2 H 1.77 0.03 2 488 49 48 LYS HB3 H 1.69 0.03 2 489 49 48 LYS HG2 H 1.30 0.03 2 490 49 48 LYS HG3 H 1.44 0.03 2 491 49 48 LYS HD2 H 1.63 0.03 2 492 49 48 LYS HD3 H 1.63 0.03 2 493 49 48 LYS HE2 H 2.98 0.03 2 494 49 48 LYS HE3 H 2.98 0.03 2 495 49 48 LYS C C 174.91 0.20 1 496 49 48 LYS CA C 54.02 0.20 1 497 49 48 LYS CB C 33.91 0.20 1 498 49 48 LYS CG C 24.86 0.20 1 499 49 48 LYS CD C 28.74 0.20 1 500 49 48 LYS CE C 42.36 0.20 1 501 49 48 LYS N N 121.52 0.20 1 502 50 49 VAL H H 8.67 0.03 1 503 50 49 VAL HA H 4.93 0.03 1 504 50 49 VAL HB H 1.96 0.03 1 505 50 49 VAL HG1 H 0.76 0.03 2 506 50 49 VAL HG2 H 0.98 0.03 2 507 50 49 VAL C C 176.45 0.20 1 508 50 49 VAL CA C 61.94 0.20 1 509 50 49 VAL CB C 31.52 0.20 1 510 50 49 VAL CG1 C 22.21 0.20 2 511 50 49 VAL CG2 C 22.85 0.20 2 512 50 49 VAL N N 124.70 0.20 1 513 51 50 VAL H H 9.33 0.03 1 514 51 50 VAL HA H 4.67 0.03 1 515 51 50 VAL HB H 2.11 0.03 1 516 51 50 VAL HG1 H 0.84 0.03 2 517 51 50 VAL HG2 H 0.85 0.03 2 518 51 50 VAL C C 174.62 0.20 1 519 51 50 VAL CA C 59.21 0.20 1 520 51 50 VAL CB C 34.68 0.20 1 521 51 50 VAL CG1 C 18.71 0.20 2 522 51 50 VAL CG2 C 21.45 0.20 2 523 51 50 VAL N N 124.46 0.20 1 524 52 51 THR H H 8.69 0.03 1 525 52 51 THR HA H 5.13 0.03 1 526 52 51 THR HB H 3.96 0.03 1 527 52 51 THR HG2 H 1.22 0.03 1 528 52 51 THR C C 174.95 0.20 1 529 52 51 THR CA C 62.42 0.20 1 530 52 51 THR CB C 69.53 0.20 1 531 52 51 THR CG2 C 21.44 0.20 1 532 52 51 THR N N 120.78 0.20 1 533 53 52 VAL H H 8.79 0.03 1 534 53 52 VAL HA H 4.76 0.03 1 535 53 52 VAL HB H 2.07 0.03 1 536 53 52 VAL HG1 H 0.77 0.03 2 537 53 52 VAL HG2 H 0.84 0.03 2 538 53 52 VAL CA C 58.45 0.20 1 539 53 52 VAL CB C 35.48 0.20 1 540 53 52 VAL CG1 C 20.09 0.20 2 541 53 52 VAL CG2 C 22.07 0.20 2 542 53 52 VAL N N 120.94 0.20 1 543 54 53 ARG H H 8.73 0.03 1 544 54 53 ARG HA H 4.33 0.03 1 545 54 53 ARG HB2 H 2.05 0.03 2 546 54 53 ARG HB3 H 1.72 0.03 2 547 54 53 ARG HG2 H 1.60 0.03 2 548 54 53 ARG HG3 H 1.75 0.03 2 549 54 53 ARG HD2 H 3.16 0.03 2 550 54 53 ARG HD3 H 3.16 0.03 2 551 54 53 ARG C C 177.91 0.20 1 552 54 53 ARG CA C 56.62 0.20 1 553 54 53 ARG CB C 30.28 0.20 1 554 54 53 ARG CG C 28.13 0.20 1 555 54 53 ARG CD C 42.94 0.20 1 556 54 53 ARG N N 122.41 0.20 1 557 55 54 HIS H H 7.28 0.03 1 558 55 54 HIS HA H 3.96 0.03 1 559 55 54 HIS HB2 H 2.87 0.03 2 560 55 54 HIS HB3 H 2.87 0.03 2 561 55 54 HIS C C 177.53 0.20 1 562 55 54 HIS CA C 57.98 0.20 1 563 55 54 HIS CB C 31.17 0.20 1 564 55 54 HIS N N 118.37 0.20 1 565 56 55 GLN H H 8.51 0.03 1 566 56 55 GLN HA H 4.28 0.03 1 567 56 55 GLN HB2 H 2.05 0.03 2 568 56 55 GLN HB3 H 2.20 0.03 2 569 56 55 GLN HG2 H 2.47 0.03 2 570 56 55 GLN HG3 H 2.47 0.03 2 571 56 55 GLN C C 175.96 0.20 1 572 56 55 GLN CA C 57.36 0.20 1 573 56 55 GLN CB C 28.08 0.20 1 574 56 55 GLN CG C 34.21 0.20 1 575 56 55 GLN N N 111.98 0.20 1 576 57 56 ALA H H 7.80 0.03 1 577 57 56 ALA HA H 4.43 0.03 1 578 57 56 ALA HB H 1.53 0.03 1 579 57 56 ALA C C 177.02 0.20 1 580 57 56 ALA CA C 52.47 0.20 1 581 57 56 ALA CB C 19.85 0.20 1 582 57 56 ALA N N 120.66 0.20 1 583 58 57 VAL H H 7.08 0.03 1 584 58 57 VAL HA H 4.83 0.03 1 585 58 57 VAL HB H 1.83 0.03 1 586 58 57 VAL HG1 H 0.77 0.03 2 587 58 57 VAL HG2 H 0.68 0.03 2 588 58 57 VAL CA C 59.03 0.20 1 589 58 57 VAL CB C 34.44 0.20 1 590 58 57 VAL CG1 C 23.21 0.20 2 591 58 57 VAL CG2 C 18.80 0.20 2 592 58 57 VAL N N 108.85 0.20 1 593 59 58 THR H H 7.56 0.03 1 594 59 58 THR HA H 4.00 0.03 1 595 59 58 THR HB H 4.65 0.03 1 596 59 58 THR HG2 H 1.22 0.03 1 597 59 58 THR C C 173.85 0.20 1 598 59 58 THR CA C 60.40 0.20 1 599 59 58 THR CB C 71.41 0.20 1 600 59 58 THR CG2 C 21.85 0.20 1 601 59 58 THR N N 113.56 0.20 1 602 60 59 ARG H H 9.06 0.03 1 603 60 59 ARG HA H 4.24 0.03 1 604 60 59 ARG HB2 H 1.77 0.03 2 605 60 59 ARG HB3 H 1.77 0.03 2 606 60 59 ARG HG2 H 1.49 0.03 2 607 60 59 ARG HG3 H 1.49 0.03 2 608 60 59 ARG HD2 H 3.06 0.03 2 609 60 59 ARG HD3 H 3.06 0.03 2 610 60 59 ARG C C 175.63 0.20 1 611 60 59 ARG CA C 57.57 0.20 1 612 60 59 ARG CB C 30.86 0.20 1 613 60 59 ARG CG C 27.68 0.20 1 614 60 59 ARG CD C 43.45 0.20 1 615 60 59 ARG N N 125.79 0.20 1 616 61 60 LYS H H 8.48 0.03 1 617 61 60 LYS HA H 4.42 0.03 1 618 61 60 LYS CA C 54.71 0.20 1 619 61 60 LYS CB C 33.33 0.20 1 620 61 60 LYS N N 127.28 0.20 1 621 63 62 ASP C C 175.27 0.20 1 622 63 62 ASP CA C 54.74 0.20 1 623 63 62 ASP CB C 39.42 0.20 1 624 64 63 ASN H H 8.61 0.03 1 625 64 63 ASN CA C 56.66 0.20 1 626 64 63 ASN N N 125.62 0.20 1 627 65 64 ARG C C 176.46 0.20 1 628 65 64 ARG CA C 57.39 0.20 1 629 65 64 ARG CB C 29.75 0.20 1 630 66 65 PHE H H 8.13 0.03 1 631 66 65 PHE HA H 4.74 0.03 1 632 66 65 PHE HB2 H 3.39 0.03 2 633 66 65 PHE HB3 H 2.96 0.03 2 634 66 65 PHE HD1 H 7.34 0.03 1 635 66 65 PHE HD2 H 7.34 0.03 1 636 66 65 PHE HE1 H 7.27 0.03 1 637 66 65 PHE HE2 H 7.27 0.03 1 638 66 65 PHE HZ H 7.13 0.03 1 639 66 65 PHE C C 175.16 0.20 1 640 66 65 PHE CA C 57.19 0.20 1 641 66 65 PHE CB C 38.29 0.20 1 642 66 65 PHE CD1 C 131.68 0.20 1 643 66 65 PHE CD2 C 131.68 0.20 1 644 66 65 PHE CE1 C 129.85 0.20 1 645 66 65 PHE CE2 C 129.85 0.20 1 646 66 65 PHE CZ C 129.24 0.20 1 647 66 65 PHE N N 118.77 0.20 1 648 67 66 ALA H H 7.38 0.03 1 649 67 66 ALA HA H 4.30 0.03 1 650 67 66 ALA HB H 1.48 0.03 1 651 67 66 ALA C C 176.04 0.20 1 652 67 66 ALA CA C 53.01 0.20 1 653 67 66 ALA CB C 20.32 0.20 1 654 67 66 ALA N N 124.28 0.20 1 655 68 67 VAL H H 8.05 0.03 1 656 68 67 VAL HA H 4.68 0.03 1 657 68 67 VAL HB H 1.92 0.03 1 658 68 67 VAL HG1 H 0.82 0.03 2 659 68 67 VAL HG2 H 0.82 0.03 2 660 68 67 VAL C C 173.91 0.20 1 661 68 67 VAL CA C 60.12 0.20 1 662 68 67 VAL CB C 34.87 0.20 1 663 68 67 VAL CG1 C 20.75 0.20 2 664 68 67 VAL CG2 C 20.75 0.20 2 665 68 67 VAL N N 118.65 0.20 1 666 69 68 ALA H H 8.30 0.03 1 667 69 68 ALA HA H 4.63 0.03 1 668 69 68 ALA HB H 1.31 0.03 1 669 69 68 ALA C C 174.18 0.20 1 670 69 68 ALA CA C 50.50 0.20 1 671 69 68 ALA CB C 23.18 0.20 1 672 69 68 ALA N N 128.17 0.20 1 673 70 69 LEU H H 8.00 0.03 1 674 70 69 LEU HA H 5.28 0.03 1 675 70 69 LEU HB2 H 1.62 0.03 2 676 70 69 LEU HB3 H 1.20 0.03 2 677 70 69 LEU HG H 1.49 0.03 1 678 70 69 LEU HD1 H 0.64 0.03 2 679 70 69 LEU HD2 H 0.82 0.03 2 680 70 69 LEU C C 177.43 0.20 1 681 70 69 LEU CA C 53.09 0.20 1 682 70 69 LEU CB C 45.23 0.20 1 683 70 69 LEU CG C 26.95 0.20 1 684 70 69 LEU CD1 C 23.91 0.20 2 685 70 69 LEU CD2 C 25.64 0.20 2 686 70 69 LEU N N 119.32 0.20 1 687 71 70 ASP H H 8.44 0.03 1 688 71 70 ASP HA H 4.81 0.03 1 689 71 70 ASP HB2 H 2.51 0.03 2 690 71 70 ASP HB3 H 3.20 0.03 2 691 71 70 ASP CA C 51.85 0.20 1 692 71 70 ASP CB C 41.13 0.20 1 693 71 70 ASP N N 121.02 0.20 1 694 72 71 SER H H 8.36 0.03 1 695 72 71 SER HA H 4.22 0.03 1 696 72 71 SER HB2 H 4.09 0.03 2 697 72 71 SER HB3 H 3.99 0.03 2 698 72 71 SER C C 175.52 0.20 1 699 72 71 SER CA C 61.47 0.20 1 700 72 71 SER CB C 64.41 0.20 1 701 72 71 SER N N 110.65 0.20 1 702 73 72 GLU H H 8.39 0.03 1 703 73 72 GLU HA H 4.55 0.03 1 704 73 72 GLU HB2 H 2.35 0.03 2 705 73 72 GLU HB3 H 1.79 0.03 2 706 73 72 GLU HG2 H 1.79 0.03 2 707 73 72 GLU HG3 H 2.32 0.03 2 708 73 72 GLU C C 175.38 0.20 1 709 73 72 GLU CA C 55.19 0.20 1 710 73 72 GLU CB C 29.80 0.20 1 711 73 72 GLU CG C 36.18 0.20 1 712 73 72 GLU N N 122.50 0.20 1 713 74 73 GLN H H 8.03 0.03 1 714 74 73 GLN HA H 3.61 0.03 1 715 74 73 GLN HB2 H 2.44 0.03 2 716 74 73 GLN HB3 H 2.33 0.03 2 717 74 73 GLN HG2 H 2.32 0.03 2 718 74 73 GLN HG3 H 2.20 0.03 2 719 74 73 GLN C C 175.17 0.20 1 720 74 73 GLN CA C 57.80 0.20 1 721 74 73 GLN CB C 25.48 0.20 1 722 74 73 GLN CG C 34.31 0.20 1 723 74 73 GLN N N 111.31 0.20 1 724 75 74 ASN H H 9.14 0.03 1 725 75 74 ASN HA H 4.76 0.03 1 726 75 74 ASN HB2 H 2.81 0.03 2 727 75 74 ASN HB3 H 2.42 0.03 2 728 75 74 ASN HD21 H 7.55 0.03 1 729 75 74 ASN HD22 H 9.54 0.03 1 730 75 74 ASN C C 175.76 0.20 1 731 75 74 ASN CA C 52.86 0.20 1 732 75 74 ASN CB C 39.11 0.20 1 733 75 74 ASN N N 118.07 0.20 1 734 75 74 ASN ND2 N 122.37 0.20 1 735 76 75 ASN H H 8.62 0.03 1 736 76 75 ASN HA H 5.02 0.03 1 737 76 75 ASN HB2 H 2.72 0.03 2 738 76 75 ASN HB3 H 2.18 0.03 2 739 76 75 ASN HD21 H 6.89 0.03 1 740 76 75 ASN HD22 H 7.33 0.03 1 741 76 75 ASN C C 174.99 0.20 1 742 76 75 ASN CA C 53.50 0.20 1 743 76 75 ASN CB C 38.86 0.20 1 744 76 75 ASN N N 119.68 0.20 1 745 76 75 ASN ND2 N 111.38 0.20 1 746 77 76 ILE H H 8.64 0.03 1 747 77 76 ILE HA H 4.76 0.03 1 748 77 76 ILE HB H 1.66 0.03 1 749 77 76 ILE HG12 H 1.12 0.03 2 750 77 76 ILE HG13 H 0.80 0.03 2 751 77 76 ILE HG2 H 0.82 0.03 1 752 77 76 ILE HD1 H 0.55 0.03 1 753 77 76 ILE C C 173.35 0.20 1 754 77 76 ILE CA C 59.50 0.20 1 755 77 76 ILE CB C 41.03 0.20 1 756 77 76 ILE CG2 C 19.65 0.20 1 757 77 76 ILE CD1 C 13.47 0.20 1 758 77 76 ILE N N 116.72 0.20 1 759 78 77 HIS H H 9.06 0.03 1 760 78 77 HIS HA H 4.87 0.03 1 761 78 77 HIS HB2 H 3.48 0.03 2 762 78 77 HIS HB3 H 2.79 0.03 2 763 78 77 HIS HD2 H 7.33 0.03 1 764 78 77 HIS CA C 53.71 0.20 1 765 78 77 HIS CB C 32.26 0.20 1 766 78 77 HIS N N 117.24 0.20 1 767 79 78 VAL H H 8.79 0.03 1 768 79 78 VAL HA H 3.26 0.03 1 769 79 78 VAL HB H 1.94 0.03 1 770 79 78 VAL HG1 H 0.94 0.03 2 771 79 78 VAL HG2 H 0.96 0.03 2 772 79 78 VAL C C 176.97 0.20 1 773 79 78 VAL CA C 66.28 0.20 1 774 79 78 VAL CB C 31.47 0.20 1 775 79 78 VAL CG1 C 21.72 0.20 2 776 79 78 VAL CG2 C 22.88 0.20 2 777 79 78 VAL N N 121.36 0.20 1 778 80 79 LYS H H 8.89 0.03 1 779 80 79 LYS HA H 3.85 0.03 1 780 80 79 LYS HB2 H 2.46 0.03 2 781 80 79 LYS HB3 H 2.09 0.03 2 782 80 79 LYS HG2 H 1.51 0.03 2 783 80 79 LYS HG3 H 1.51 0.03 2 784 80 79 LYS HD2 H 1.67 0.03 2 785 80 79 LYS HD3 H 1.67 0.03 2 786 80 79 LYS HE2 H 2.98 0.03 2 787 80 79 LYS HE3 H 2.98 0.03 2 788 80 79 LYS C C 176.19 0.20 1 789 80 79 LYS CA C 60.22 0.20 1 790 80 79 LYS CB C 30.90 0.20 1 791 80 79 LYS CG C 26.40 0.20 1 792 80 79 LYS CD C 28.93 0.20 1 793 80 79 LYS CE C 42.33 0.20 1 794 80 79 LYS N N 119.82 0.20 1 795 81 80 ASP H H 8.03 0.03 1 796 81 80 ASP HA H 4.76 0.03 1 797 81 80 ASP HB2 H 2.98 0.03 2 798 81 80 ASP HB3 H 2.53 0.03 2 799 81 80 ASP C C 175.26 0.20 1 800 81 80 ASP CA C 55.82 0.20 1 801 81 80 ASP CB C 41.22 0.20 1 802 81 80 ASP N N 119.83 0.20 1 803 82 81 ILE H H 8.51 0.03 1 804 82 81 ILE HA H 4.89 0.03 1 805 82 81 ILE HB H 1.88 0.03 1 806 82 81 ILE HG12 H 1.60 0.03 2 807 82 81 ILE HG13 H 1.47 0.03 2 808 82 81 ILE HG2 H 0.88 0.03 1 809 82 81 ILE HD1 H 0.88 0.03 1 810 82 81 ILE C C 176.41 0.20 1 811 82 81 ILE CA C 59.29 0.20 1 812 82 81 ILE CB C 36.90 0.20 1 813 82 81 ILE CG2 C 17.53 0.20 1 814 82 81 ILE CD1 C 11.03 0.20 1 815 82 81 ILE N N 120.48 0.20 1 816 83 82 VAL H H 8.95 0.03 1 817 83 82 VAL HA H 5.20 0.03 1 818 83 82 VAL HB H 2.07 0.03 1 819 83 82 VAL HG1 H 0.76 0.03 2 820 83 82 VAL HG2 H 0.85 0.03 2 821 83 82 VAL C C 174.03 0.20 1 822 83 82 VAL CA C 58.19 0.20 1 823 83 82 VAL CB C 35.74 0.20 1 824 83 82 VAL CG1 C 20.64 0.20 2 825 83 82 VAL CG2 C 22.13 0.20 2 826 83 82 VAL N N 117.37 0.20 1 827 84 83 LYS H H 9.08 0.03 1 828 84 83 LYS HA H 4.96 0.03 1 829 84 83 LYS HB2 H 1.81 0.03 2 830 84 83 LYS HB3 H 1.64 0.03 2 831 84 83 LYS HG2 H 1.38 0.03 2 832 84 83 LYS HG3 H 1.38 0.03 2 833 84 83 LYS HD2 H 1.64 0.03 2 834 84 83 LYS HD3 H 1.64 0.03 2 835 84 83 LYS HE2 H 2.89 0.03 2 836 84 83 LYS HE3 H 2.89 0.03 2 837 84 83 LYS C C 175.28 0.20 1 838 84 83 LYS CA C 54.45 0.20 1 839 84 83 LYS CB C 35.13 0.20 1 840 84 83 LYS CG C 25.39 0.20 1 841 84 83 LYS CD C 29.41 0.20 1 842 84 83 LYS CE C 41.99 0.20 1 843 84 83 LYS N N 119.10 0.20 1 844 85 84 VAL H H 8.72 0.03 1 845 85 84 VAL HA H 4.67 0.03 1 846 85 84 VAL HB H 2.31 0.03 1 847 85 84 VAL HG1 H 1.26 0.03 2 848 85 84 VAL HG2 H 0.95 0.03 2 849 85 84 VAL C C 178.79 0.20 1 850 85 84 VAL CA C 62.06 0.20 1 851 85 84 VAL CB C 31.25 0.20 1 852 85 84 VAL CG1 C 23.72 0.20 2 853 85 84 VAL CG2 C 20.89 0.20 2 854 85 84 VAL N N 123.55 0.20 1 855 86 85 ILE H H 9.06 0.03 1 856 86 85 ILE HA H 4.70 0.03 1 857 86 85 ILE HB H 2.33 0.03 1 858 86 85 ILE HG12 H 1.07 0.03 2 859 86 85 ILE HG13 H 1.07 0.03 2 860 86 85 ILE HG2 H 0.82 0.03 1 861 86 85 ILE HD1 H 0.82 0.03 1 862 86 85 ILE C C 174.99 0.20 1 863 86 85 ILE CA C 60.42 0.20 1 864 86 85 ILE CB C 39.43 0.20 1 865 86 85 ILE CG2 C 20.93 0.20 1 866 86 85 ILE CD1 C 14.53 0.20 1 867 86 85 ILE N N 120.94 0.20 1 868 87 86 ASP H H 7.73 0.03 1 869 87 86 ASP HA H 4.72 0.03 1 870 87 86 ASP HB2 H 1.92 0.03 2 871 87 86 ASP HB3 H 2.57 0.03 2 872 87 86 ASP C C 174.95 0.20 1 873 87 86 ASP CA C 52.60 0.20 1 874 87 86 ASP CB C 42.88 0.20 1 875 87 86 ASP N N 117.60 0.20 1 876 88 87 GLY H H 8.65 0.03 1 877 88 87 GLY CA C 45.38 0.20 1 878 88 87 GLY N N 105.87 0.20 1 879 89 88 PRO HA H 4.22 0.03 1 880 89 88 PRO HB2 H 2.22 0.03 2 881 89 88 PRO HB3 H 1.42 0.03 2 882 89 88 PRO HG2 H 2.05 0.03 2 883 89 88 PRO HG3 H 1.92 0.03 2 884 89 88 PRO HD2 H 3.89 0.03 2 885 89 88 PRO HD3 H 3.60 0.03 2 886 89 88 PRO C C 177.96 0.20 1 887 89 88 PRO CA C 64.56 0.20 1 888 89 88 PRO CB C 32.02 0.20 1 889 89 88 PRO CG C 27.28 0.20 1 890 89 88 PRO CD C 49.76 0.20 1 891 90 89 HIS H H 8.96 0.03 1 892 90 89 HIS HA H 4.72 0.03 1 893 90 89 HIS HB2 H 2.94 0.03 2 894 90 89 HIS HB3 H 2.94 0.03 2 895 90 89 HIS C C 173.84 0.20 1 896 90 89 HIS CA C 55.18 0.20 1 897 90 89 HIS CB C 30.47 0.20 1 898 90 89 HIS N N 116.21 0.20 1 899 91 90 SER H H 7.18 0.03 1 900 91 90 SER HA H 3.48 0.03 1 901 91 90 SER HB2 H 3.63 0.03 2 902 91 90 SER HB3 H 3.63 0.03 2 903 91 90 SER C C 175.64 0.20 1 904 91 90 SER CA C 60.58 0.20 1 905 91 90 SER CB C 63.32 0.20 1 906 91 90 SER N N 113.28 0.20 1 907 92 91 GLY H H 8.80 0.03 1 908 92 91 GLY HA2 H 4.51 0.03 2 909 92 91 GLY HA3 H 3.68 0.03 2 910 92 91 GLY C C 175.12 0.20 1 911 92 91 GLY CA C 44.95 0.20 1 912 92 91 GLY N N 115.26 0.20 1 913 93 92 ARG H H 8.06 0.03 1 914 93 92 ARG HA H 4.43 0.03 1 915 93 92 ARG HB2 H 1.89 0.03 2 916 93 92 ARG HB3 H 1.89 0.03 2 917 93 92 ARG HG2 H 1.63 0.03 2 918 93 92 ARG HG3 H 1.63 0.03 2 919 93 92 ARG HD2 H 2.54 0.03 2 920 93 92 ARG HD3 H 2.36 0.03 2 921 93 92 ARG C C 174.25 0.20 1 922 93 92 ARG CA C 56.67 0.20 1 923 93 92 ARG CB C 31.86 0.20 1 924 93 92 ARG CG C 28.17 0.20 1 925 93 92 ARG CD C 42.90 0.20 1 926 93 92 ARG N N 119.65 0.20 1 927 94 93 GLU H H 8.35 0.03 1 928 94 93 GLU HA H 5.35 0.03 1 929 94 93 GLU HB2 H 2.05 0.03 2 930 94 93 GLU HB3 H 2.05 0.03 2 931 94 93 GLU HG2 H 2.14 0.03 2 932 94 93 GLU HG3 H 2.19 0.03 2 933 94 93 GLU C C 175.77 0.20 1 934 94 93 GLU CA C 54.69 0.20 1 935 94 93 GLU CB C 33.35 0.20 1 936 94 93 GLU CG C 36.64 0.20 1 937 94 93 GLU N N 119.33 0.20 1 938 95 94 GLY H H 8.78 0.03 1 939 95 94 GLY HA2 H 4.43 0.03 2 940 95 94 GLY HA3 H 3.98 0.03 2 941 95 94 GLY C C 174.63 0.20 1 942 95 94 GLY CA C 45.74 0.20 1 943 95 94 GLY N N 106.32 0.20 1 944 96 95 GLU H H 8.64 0.03 1 945 96 95 GLU HA H 5.13 0.03 1 946 96 95 GLU HB2 H 2.05 0.03 2 947 96 95 GLU HB3 H 2.05 0.03 2 948 96 95 GLU HG2 H 1.92 0.03 2 949 96 95 GLU HG3 H 1.92 0.03 2 950 96 95 GLU C C 177.42 0.20 1 951 96 95 GLU CA C 53.38 0.20 1 952 96 95 GLU CB C 33.14 0.20 1 953 96 95 GLU CG C 36.83 0.20 1 954 96 95 GLU N N 119.40 0.20 1 955 97 96 ILE H H 9.08 0.03 1 956 97 96 ILE HA H 3.78 0.03 1 957 97 96 ILE HB H 2.12 0.03 1 958 97 96 ILE HG12 H 0.67 0.03 2 959 97 96 ILE HG13 H 1.81 0.03 2 960 97 96 ILE HG2 H 0.64 0.03 1 961 97 96 ILE HD1 H 0.77 0.03 1 962 97 96 ILE C C 176.70 0.20 1 963 97 96 ILE CA C 63.85 0.20 1 964 97 96 ILE CB C 36.91 0.20 1 965 97 96 ILE CG2 C 18.65 0.20 1 966 97 96 ILE CD1 C 14.21 0.20 1 967 97 96 ILE N N 125.06 0.20 1 968 98 97 ARG H H 9.58 0.03 1 969 98 97 ARG HA H 4.37 0.03 1 970 98 97 ARG HB2 H 1.51 0.03 2 971 98 97 ARG HB3 H 1.51 0.03 2 972 98 97 ARG HG2 H 1.55 0.03 2 973 98 97 ARG HG3 H 1.49 0.03 2 974 98 97 ARG HD2 H 3.10 0.03 2 975 98 97 ARG HD3 H 3.10 0.03 2 976 98 97 ARG C C 174.82 0.20 1 977 98 97 ARG CA C 55.53 0.20 1 978 98 97 ARG CB C 31.19 0.20 1 979 98 97 ARG CG C 27.25 0.20 1 980 98 97 ARG CD C 41.55 0.20 1 981 98 97 ARG N N 130.76 0.20 1 982 99 98 HIS H H 7.68 0.03 1 983 99 98 HIS HA H 4.89 0.03 1 984 99 98 HIS HB2 H 2.94 0.03 2 985 99 98 HIS HB3 H 2.61 0.03 2 986 99 98 HIS HD2 H 6.21 0.03 1 987 99 98 HIS C C 173.67 0.20 1 988 99 98 HIS CA C 55.42 0.20 1 989 99 98 HIS CB C 36.95 0.20 1 990 99 98 HIS N N 111.18 0.20 1 991 100 99 LEU H H 9.07 0.03 1 992 100 99 LEU HA H 4.98 0.03 1 993 100 99 LEU HB2 H 1.46 0.03 2 994 100 99 LEU HB3 H 1.46 0.03 2 995 100 99 LEU HG H 1.26 0.03 1 996 100 99 LEU HD1 H 0.67 0.03 2 997 100 99 LEU HD2 H 0.63 0.03 2 998 100 99 LEU C C 174.84 0.20 1 999 100 99 LEU CA C 54.01 0.20 1 1000 100 99 LEU CB C 45.90 0.20 1 1001 100 99 LEU CG C 26.67 0.20 1 1002 100 99 LEU CD1 C 24.51 0.20 2 1003 100 99 LEU CD2 C 25.82 0.20 2 1004 100 99 LEU N N 124.30 0.20 1 1005 101 100 PHE H H 8.65 0.03 1 1006 101 100 PHE HA H 4.55 0.03 1 1007 101 100 PHE HB2 H 2.83 0.03 2 1008 101 100 PHE HB3 H 2.83 0.03 2 1009 101 100 PHE HD1 H 7.28 0.03 1 1010 101 100 PHE HD2 H 7.28 0.03 1 1011 101 100 PHE HE1 H 7.17 0.03 1 1012 101 100 PHE HE2 H 7.17 0.03 1 1013 101 100 PHE C C 173.04 0.20 1 1014 101 100 PHE CA C 57.84 0.20 1 1015 101 100 PHE CB C 41.94 0.20 1 1016 101 100 PHE CD1 C 132.90 0.20 1 1017 101 100 PHE CD2 C 132.90 0.20 1 1018 101 100 PHE CE1 C 132.41 0.20 1 1019 101 100 PHE CE2 C 132.41 0.20 1 1020 101 100 PHE N N 122.05 0.20 1 1021 102 101 ARG H H 8.43 0.03 1 1022 102 101 ARG CA C 58.91 0.20 1 1023 102 101 ARG N N 123.33 0.20 1 1024 103 102 SER HA H 4.50 0.03 1 1025 103 102 SER HB2 H 3.78 0.03 2 1026 103 102 SER HB3 H 3.78 0.03 2 1027 103 102 SER C C 173.63 0.20 1 1028 103 102 SER CA C 58.41 0.20 1 1029 103 102 SER CB C 63.19 0.20 1 1030 104 103 PHE H H 8.56 0.03 1 1031 104 103 PHE HA H 4.94 0.03 1 1032 104 103 PHE HB2 H 3.07 0.03 2 1033 104 103 PHE HB3 H 2.59 0.03 2 1034 104 103 PHE HD1 H 7.15 0.03 1 1035 104 103 PHE HD2 H 7.15 0.03 1 1036 104 103 PHE C C 172.99 0.20 1 1037 104 103 PHE CA C 57.79 0.20 1 1038 104 103 PHE CB C 41.10 0.20 1 1039 104 103 PHE CD1 C 132.65 0.20 1 1040 104 103 PHE CD2 C 132.65 0.20 1 1041 104 103 PHE N N 120.96 0.20 1 1042 105 104 ALA H H 9.00 0.03 1 1043 105 104 ALA HA H 5.05 0.03 1 1044 105 104 ALA HB H 0.98 0.03 1 1045 105 104 ALA C C 174.60 0.20 1 1046 105 104 ALA CA C 50.04 0.20 1 1047 105 104 ALA CB C 22.79 0.20 1 1048 105 104 ALA N N 121.61 0.20 1 1049 106 105 PHE H H 8.91 0.03 1 1050 106 105 PHE HA H 4.83 0.03 1 1051 106 105 PHE HB2 H 2.90 0.03 2 1052 106 105 PHE HB3 H 2.74 0.03 2 1053 106 105 PHE HD1 H 6.86 0.03 1 1054 106 105 PHE HD2 H 6.86 0.03 1 1055 106 105 PHE HE1 H 6.89 0.03 1 1056 106 105 PHE HE2 H 6.89 0.03 1 1057 106 105 PHE HZ H 6.56 0.03 1 1058 106 105 PHE C C 174.53 0.20 1 1059 106 105 PHE CA C 57.20 0.20 1 1060 106 105 PHE CB C 40.00 0.20 1 1061 106 105 PHE CD1 C 132.41 0.20 1 1062 106 105 PHE CD2 C 132.41 0.20 1 1063 106 105 PHE CE1 C 130.90 0.20 1 1064 106 105 PHE CE2 C 130.90 0.20 1 1065 106 105 PHE CZ C 128.00 0.20 1 1066 106 105 PHE N N 119.51 0.20 1 1067 107 106 LEU H H 9.16 0.03 1 1068 107 106 LEU HA H 5.00 0.03 1 1069 107 106 LEU HB2 H -0.03 0.03 2 1070 107 106 LEU HB3 H 0.54 0.03 2 1071 107 106 LEU HG H 1.00 0.03 1 1072 107 106 LEU HD1 H 0.34 0.03 2 1073 107 106 LEU HD2 H 0.38 0.03 2 1074 107 106 LEU C C 173.59 0.20 1 1075 107 106 LEU CA C 53.50 0.20 1 1076 107 106 LEU CB C 45.18 0.20 1 1077 107 106 LEU CG C 27.89 0.20 1 1078 107 106 LEU CD1 C 26.92 0.20 2 1079 107 106 LEU CD2 C 27.89 0.20 2 1080 107 106 LEU N N 127.06 0.20 1 1081 108 107 HIS H H 8.71 0.03 1 1082 108 107 HIS HA H 5.52 0.03 1 1083 108 107 HIS HB2 H 3.05 0.03 2 1084 108 107 HIS HB3 H 2.96 0.03 2 1085 108 107 HIS HD2 H 7.18 0.03 1 1086 108 107 HIS C C 175.12 0.20 1 1087 108 107 HIS CA C 55.79 0.20 1 1088 108 107 HIS CB C 35.45 0.20 1 1089 108 107 HIS N N 116.91 0.20 1 1090 109 108 CYS H H 9.11 0.03 1 1091 109 108 CYS HA H 4.89 0.03 1 1092 109 108 CYS HB2 H 3.50 0.03 2 1093 109 108 CYS HB3 H 2.74 0.03 2 1094 109 108 CYS C C 174.69 0.20 1 1095 109 108 CYS CA C 57.27 0.20 1 1096 109 108 CYS CB C 29.59 0.20 1 1097 109 108 CYS N N 128.74 0.20 1 1098 110 109 LYS H H 8.89 0.03 1 1099 110 109 LYS HA H 4.07 0.03 1 1100 110 109 LYS HB2 H 1.92 0.03 2 1101 110 109 LYS HB3 H 1.92 0.03 2 1102 110 109 LYS HG2 H 1.60 0.03 2 1103 110 109 LYS HG3 H 1.60 0.03 2 1104 110 109 LYS HD2 H 1.75 0.03 2 1105 110 109 LYS HD3 H 1.75 0.03 2 1106 110 109 LYS HE2 H 3.05 0.03 2 1107 110 109 LYS HE3 H 3.05 0.03 2 1108 110 109 LYS C C 176.88 0.20 1 1109 110 109 LYS CA C 58.93 0.20 1 1110 110 109 LYS CB C 32.71 0.20 1 1111 110 109 LYS CG C 25.36 0.20 1 1112 110 109 LYS CD C 32.96 0.20 1 1113 110 109 LYS CE C 42.11 0.20 1 1114 110 109 LYS N N 126.97 0.20 1 1115 111 110 LYS H H 7.90 0.03 1 1116 111 110 LYS HA H 4.28 0.03 1 1117 111 110 LYS HB2 H 2.01 0.03 2 1118 111 110 LYS HB3 H 1.68 0.03 2 1119 111 110 LYS HG2 H 1.46 0.03 2 1120 111 110 LYS HG3 H 1.46 0.03 2 1121 111 110 LYS HD2 H 1.66 0.03 2 1122 111 110 LYS HD3 H 1.66 0.03 2 1123 111 110 LYS HE2 H 3.00 0.03 2 1124 111 110 LYS HE3 H 3.00 0.03 2 1125 111 110 LYS C C 175.77 0.20 1 1126 111 110 LYS CA C 56.33 0.20 1 1127 111 110 LYS CB C 32.84 0.20 1 1128 111 110 LYS CG C 25.36 0.20 1 1129 111 110 LYS CD C 29.10 0.20 1 1130 111 110 LYS CE C 42.08 0.20 1 1131 111 110 LYS N N 116.99 0.20 1 1132 112 111 LEU H H 7.37 0.03 1 1133 112 111 LEU HA H 4.50 0.03 1 1134 112 111 LEU HB2 H 1.35 0.03 2 1135 112 111 LEU HB3 H 1.87 0.03 2 1136 112 111 LEU HG H 1.59 0.03 1 1137 112 111 LEU HD1 H 0.74 0.03 2 1138 112 111 LEU HD2 H 0.65 0.03 2 1139 112 111 LEU C C 175.57 0.20 1 1140 112 111 LEU CA C 54.10 0.20 1 1141 112 111 LEU CB C 43.56 0.20 1 1142 112 111 LEU CG C 26.79 0.20 1 1143 112 111 LEU CD1 C 24.76 0.20 2 1144 112 111 LEU CD2 C 24.58 0.20 2 1145 112 111 LEU N N 122.74 0.20 1 1146 113 112 VAL H H 8.34 0.03 1 1147 113 112 VAL HA H 3.89 0.03 1 1148 113 112 VAL HB H 2.07 0.03 1 1149 113 112 VAL HG1 H 0.97 0.03 2 1150 113 112 VAL HG2 H 0.97 0.03 2 1151 113 112 VAL C C 177.69 0.20 1 1152 113 112 VAL CA C 64.22 0.20 1 1153 113 112 VAL CB C 32.33 0.20 1 1154 113 112 VAL CG1 C 21.30 0.20 2 1155 113 112 VAL CG2 C 21.30 0.20 2 1156 113 112 VAL N N 123.55 0.20 1 1157 114 113 GLU H H 7.93 0.03 1 1158 114 113 GLU HA H 4.22 0.03 1 1159 114 113 GLU HB2 H 2.03 0.03 2 1160 114 113 GLU HB3 H 2.03 0.03 2 1161 114 113 GLU HG2 H 3.30 0.03 2 1162 114 113 GLU HG3 H 2.30 0.03 2 1163 114 113 GLU C C 177.24 0.20 1 1164 114 113 GLU CA C 57.21 0.20 1 1165 114 113 GLU CB C 30.18 0.20 1 1166 114 113 GLU CG C 36.28 0.20 1 1167 114 113 GLU N N 120.93 0.20 1 1168 115 114 ASN H H 9.37 0.03 1 1169 115 114 ASN HA H 4.55 0.03 1 1170 115 114 ASN HB2 H 3.55 0.03 2 1171 115 114 ASN HB3 H 2.98 0.03 2 1172 115 114 ASN HD21 H 6.81 0.03 1 1173 115 114 ASN HD22 H 8.17 0.03 1 1174 115 114 ASN C C 175.79 0.20 1 1175 115 114 ASN CA C 54.68 0.20 1 1176 115 114 ASN CB C 37.55 0.20 1 1177 115 114 ASN N N 118.86 0.20 1 1178 115 114 ASN ND2 N 114.52 0.20 1 1179 116 115 GLY H H 8.31 0.03 1 1180 116 115 GLY HA2 H 4.05 0.03 2 1181 116 115 GLY HA3 H 4.30 0.03 2 1182 116 115 GLY C C 174.81 0.20 1 1183 116 115 GLY CA C 47.17 0.20 1 1184 116 115 GLY N N 103.97 0.20 1 1185 117 116 GLY H H 8.11 0.03 1 1186 117 116 GLY HA2 H 3.96 0.03 2 1187 117 116 GLY HA3 H 4.40 0.03 2 1188 117 116 GLY C C 169.81 0.20 1 1189 117 116 GLY CA C 46.10 0.20 1 1190 117 116 GLY N N 107.74 0.20 1 1191 118 117 MET H H 7.61 0.03 1 1192 118 117 MET HA H 5.89 0.03 1 1193 118 117 MET HB2 H 2.33 0.03 2 1194 118 117 MET HB3 H 1.98 0.03 2 1195 118 117 MET HG2 H 2.77 0.03 2 1196 118 117 MET HG3 H 2.47 0.03 2 1197 118 117 MET HE H 1.74 0.03 1 1198 118 117 MET C C 176.18 0.20 1 1199 118 117 MET CA C 53.35 0.20 1 1200 118 117 MET CB C 33.20 0.20 1 1201 118 117 MET CG C 31.91 0.20 1 1202 118 117 MET CE C 16.32 0.20 1 1203 118 117 MET N N 118.70 0.20 1 1204 119 118 PHE H H 9.28 0.03 1 1205 119 118 PHE HA H 4.76 0.03 1 1206 119 118 PHE HB2 H 2.88 0.03 2 1207 119 118 PHE HB3 H 2.50 0.03 2 1208 119 118 PHE HD1 H 6.74 0.03 1 1209 119 118 PHE HD2 H 6.74 0.03 1 1210 119 118 PHE HE1 H 6.89 0.03 1 1211 119 118 PHE HE2 H 6.89 0.03 1 1212 119 118 PHE HZ H 6.63 0.03 1 1213 119 118 PHE CA C 56.28 0.20 1 1214 119 118 PHE CB C 39.43 0.20 1 1215 119 118 PHE CD1 C 133.18 0.20 1 1216 119 118 PHE CD2 C 133.18 0.20 1 1217 119 118 PHE CE1 C 130.83 0.20 1 1218 119 118 PHE CE2 C 130.83 0.20 1 1219 119 118 PHE CZ C 128.60 0.20 1 1220 119 118 PHE N N 118.74 0.20 1 1221 120 119 VAL H H 8.60 0.03 1 1222 120 119 VAL HA H 5.11 0.03 1 1223 120 119 VAL HB H 1.46 0.03 1 1224 120 119 VAL HG1 H 0.25 0.03 2 1225 120 119 VAL HG2 H 0.75 0.03 2 1226 120 119 VAL C C 173.92 0.20 1 1227 120 119 VAL CA C 59.01 0.20 1 1228 120 119 VAL CB C 34.95 0.20 1 1229 120 119 VAL CG1 C 20.93 0.20 2 1230 120 119 VAL CG2 C 18.80 0.20 2 1231 120 119 VAL N N 120.07 0.20 1 1232 121 120 CYS H H 8.52 0.03 1 1233 121 120 CYS HA H 5.07 0.03 1 1234 121 120 CYS HB2 H 3.09 0.03 2 1235 121 120 CYS HB3 H 2.66 0.03 2 1236 121 120 CYS C C 173.58 0.20 1 1237 121 120 CYS CA C 56.74 0.20 1 1238 121 120 CYS CB C 32.92 0.20 1 1239 121 120 CYS N N 122.21 0.20 1 1240 122 121 LYS H H 8.92 0.03 1 1241 122 121 LYS HA H 4.40 0.03 1 1242 122 121 LYS HB2 H 1.89 0.03 2 1243 122 121 LYS HB3 H 1.89 0.03 2 1244 122 121 LYS C C 179.47 0.20 1 1245 122 121 LYS CA C 56.76 0.20 1 1246 122 121 LYS CB C 31.79 0.20 1 1247 122 121 LYS N N 121.93 0.20 1 1248 123 122 THR H H 8.53 0.03 1 1249 123 122 THR HA H 3.63 0.03 1 1250 123 122 THR HB H 4.32 0.03 1 1251 123 122 THR HG2 H 0.84 0.03 1 1252 123 122 THR C C 176.70 0.20 1 1253 123 122 THR CA C 65.69 0.20 1 1254 123 122 THR CB C 66.55 0.20 1 1255 123 122 THR CG2 C 23.44 0.20 1 1256 123 122 THR N N 116.27 0.20 1 1257 124 123 ARG H H 7.74 0.03 1 1258 124 123 ARG HA H 4.09 0.03 1 1259 124 123 ARG HB2 H 1.85 0.03 2 1260 124 123 ARG HB3 H 1.68 0.03 2 1261 124 123 ARG HG2 H 1.41 0.03 2 1262 124 123 ARG HG3 H 1.14 0.03 2 1263 124 123 ARG HD2 H 3.03 0.03 2 1264 124 123 ARG HD3 H 3.03 0.03 2 1265 124 123 ARG C C 175.51 0.20 1 1266 124 123 ARG CA C 56.97 0.20 1 1267 124 123 ARG CB C 29.01 0.20 1 1268 124 123 ARG CG C 26.58 0.20 1 1269 124 123 ARG CD C 43.21 0.20 1 1270 124 123 ARG N N 115.65 0.20 1 1271 125 124 HIS H H 7.72 0.03 1 1272 125 124 HIS HA H 4.87 0.03 1 1273 125 124 HIS HB2 H 3.65 0.03 2 1274 125 124 HIS HB3 H 3.28 0.03 2 1275 125 124 HIS HD2 H 6.78 0.03 1 1276 125 124 HIS C C 173.66 0.20 1 1277 125 124 HIS CA C 53.70 0.20 1 1278 125 124 HIS CB C 31.43 0.20 1 1279 125 124 HIS N N 118.47 0.20 1 1280 126 125 LEU H H 7.55 0.03 1 1281 126 125 LEU HA H 5.63 0.03 1 1282 126 125 LEU HB2 H 2.05 0.03 2 1283 126 125 LEU HB3 H 1.20 0.03 2 1284 126 125 LEU HG H 0.82 0.03 1 1285 126 125 LEU HD1 H 0.81 0.03 2 1286 126 125 LEU HD2 H 0.81 0.03 2 1287 126 125 LEU C C 178.27 0.20 1 1288 126 125 LEU CA C 53.27 0.20 1 1289 126 125 LEU CB C 45.46 0.20 1 1290 126 125 LEU CG C 25.87 0.20 1 1291 126 125 LEU CD1 C 24.76 0.20 2 1292 126 125 LEU CD2 C 24.76 0.20 2 1293 126 125 LEU N N 117.77 0.20 1 1294 127 126 VAL H H 9.30 0.03 1 1295 127 126 VAL HA H 4.67 0.03 1 1296 127 126 VAL HB H 1.81 0.03 1 1297 127 126 VAL HG1 H 0.97 0.03 2 1298 127 126 VAL HG2 H 0.90 0.03 2 1299 127 126 VAL C C 173.51 0.20 1 1300 127 126 VAL CA C 61.23 0.20 1 1301 127 126 VAL CB C 36.30 0.20 1 1302 127 126 VAL CG1 C 21.76 0.20 2 1303 127 126 VAL CG2 C 20.57 0.20 2 1304 127 126 VAL N N 122.07 0.20 1 1305 128 127 LEU H H 9.03 0.03 1 1306 128 127 LEU HA H 4.26 0.03 1 1307 128 127 LEU HB2 H 1.75 0.03 2 1308 128 127 LEU HB3 H 1.46 0.03 2 1309 128 127 LEU HG H 1.69 0.03 1 1310 128 127 LEU HD1 H 0.97 0.03 2 1311 128 127 LEU HD2 H 1.07 0.03 2 1312 128 127 LEU C C 176.24 0.20 1 1313 128 127 LEU CA C 57.04 0.20 1 1314 128 127 LEU CB C 42.69 0.20 1 1315 128 127 LEU CG C 27.07 0.20 1 1316 128 127 LEU CD1 C 25.48 0.20 2 1317 128 127 LEU CD2 C 23.64 0.20 2 1318 128 127 LEU N N 129.33 0.20 1 1319 129 128 ALA H H 8.86 0.03 1 1320 129 128 ALA HA H 4.44 0.03 1 1321 129 128 ALA HB H 1.33 0.03 1 1322 129 128 ALA C C 176.40 0.20 1 1323 129 128 ALA CA C 52.33 0.20 1 1324 129 128 ALA CB C 19.83 0.20 1 1325 129 128 ALA N N 129.70 0.20 1 1326 130 129 GLY H H 7.82 0.03 1 1327 130 129 GLY HA2 H 3.79 0.03 2 1328 130 129 GLY HA3 H 3.79 0.03 2 1329 130 129 GLY CA C 46.35 0.20 1 1330 130 129 GLY N N 114.46 0.20 1 stop_ save_