data_5959 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structure of human Ki67 FHA domain and its binding to a phosphoprotein fragment from hNIFK reveal unique recognition sites and new views to the structural basis of FHA domain functions ; _BMRB_accession_number 5959 _BMRB_flat_file_name bmr5959.str _Entry_type original _Submission_date 2003-09-29 _Accession_date 2003-09-29 _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 Byeon In-Ja L. . 2 Li Hongyuan . . 3 Tsai Ming-Daw . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 566 "13C chemical shifts" 434 "15N chemical shifts" 103 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-09-30 original author . stop_ _Original_release_date 2004-09-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Structure of human Ki67 FHA domain and its binding to a phosphoprotein fragment from hNIFK reveal unique recognition sites and new views to the structural basis of FHA domain functions ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14659764 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Li Hongyuan . . 2 Byeon In-Ja L. . 3 Tsai Ming-Daw . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 335 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 371 _Page_last 381 _Year 2004 _Details . loop_ _Keyword ki67 'FHA domain' NMR stop_ save_ ################################## # Molecular system description # ################################## save_system_Ki67_FHA _Saveframe_category molecular_system _Mol_system_name 'Antigen Ki-67 FHA domain' _Abbreviation_common 'Ki67 FHA' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'ki67 FHA monomer' $ki67_FHA_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state momomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'phosphoprotein binding domain' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_ki67_FHA_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Antigen Ki-67' _Name_variant 'residues 1-120' _Abbreviation_common ki-67 _Molecular_mass . _Mol_thiol_state 'all free' _Details 'The first 8 residues do not belong to ki67 FHA, they are from the fusion tag.' ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; GSPEFPGGMWPTRRLVTIKR SGVDGPHFPLSLSTCLFGRG IECDIRIQLPVVSKQHCKIE IHEQEAILHNFSSTNPTQVN GSVIDEPVRLKHGDVITIID RSFRYENESLQNGRKSTEFP RKIREQEP ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -7 GLY 2 -6 SER 3 -5 PRO 4 -4 GLU 5 -3 PHE 6 -2 PRO 7 -1 GLY 8 0 GLY 9 1 MET 10 2 TRP 11 3 PRO 12 4 THR 13 5 ARG 14 6 ARG 15 7 LEU 16 8 VAL 17 9 THR 18 10 ILE 19 11 LYS 20 12 ARG 21 13 SER 22 14 GLY 23 15 VAL 24 16 ASP 25 17 GLY 26 18 PRO 27 19 HIS 28 20 PHE 29 21 PRO 30 22 LEU 31 23 SER 32 24 LEU 33 25 SER 34 26 THR 35 27 CYS 36 28 LEU 37 29 PHE 38 30 GLY 39 31 ARG 40 32 GLY 41 33 ILE 42 34 GLU 43 35 CYS 44 36 ASP 45 37 ILE 46 38 ARG 47 39 ILE 48 40 GLN 49 41 LEU 50 42 PRO 51 43 VAL 52 44 VAL 53 45 SER 54 46 LYS 55 47 GLN 56 48 HIS 57 49 CYS 58 50 LYS 59 51 ILE 60 52 GLU 61 53 ILE 62 54 HIS 63 55 GLU 64 56 GLN 65 57 GLU 66 58 ALA 67 59 ILE 68 60 LEU 69 61 HIS 70 62 ASN 71 63 PHE 72 64 SER 73 65 SER 74 66 THR 75 67 ASN 76 68 PRO 77 69 THR 78 70 GLN 79 71 VAL 80 72 ASN 81 73 GLY 82 74 SER 83 75 VAL 84 76 ILE 85 77 ASP 86 78 GLU 87 79 PRO 88 80 VAL 89 81 ARG 90 82 LEU 91 83 LYS 92 84 HIS 93 85 GLY 94 86 ASP 95 87 VAL 96 88 ILE 97 89 THR 98 90 ILE 99 91 ILE 100 92 ASP 101 93 ARG 102 94 SER 103 95 PHE 104 96 ARG 105 97 TYR 106 98 GLU 107 99 ASN 108 100 GLU 109 101 SER 110 102 LEU 111 103 GLN 112 104 ASN 113 105 GLY 114 106 ARG 115 107 LYS 116 108 SER 117 109 THR 118 110 GLU 119 111 PHE 120 112 PRO 121 113 ARG 122 114 LYS 123 115 ILE 124 116 ARG 125 117 GLU 126 118 GLN 127 119 GLU 128 120 PRO stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1R21 "Solution Structure Of Human Ki67 Fha Domain" 100.00 128 100.00 100.00 1.59e-87 PDB 2AFF "The Solution Structure Of The Ki67fhaHNIFK(226-269)3p Compl" 93.75 120 100.00 100.00 3.19e-81 EMBL CAA46519 "antigen of the monoclonal antibody Ki-67 [Homo sapiens]" 93.75 3256 100.00 100.00 5.79e-76 EMBL CAA46520 "antigen of the monoclonal antibody Ki-67 [Homo sapiens]" 93.75 2896 100.00 100.00 5.01e-76 GB EAW49178 "antigen identified by monoclonal antibody Ki-67, isoform CRA_b [Homo sapiens]" 93.75 3256 99.17 100.00 3.26e-75 GB EAW49179 "antigen identified by monoclonal antibody Ki-67, isoform CRA_c [Homo sapiens]" 93.75 2896 99.17 100.00 2.56e-75 PIR B48666 "cell proliferation antigen Ki-67, short form - human" 93.75 2897 100.00 100.00 4.01e-76 REF NP_001139438 "antigen KI-67 isoform 2 [Homo sapiens]" 93.75 2896 100.00 100.00 4.59e-76 REF NP_002408 "antigen KI-67 isoform 1 [Homo sapiens]" 93.75 3256 100.00 100.00 5.85e-76 REF XP_002821326 "PREDICTED: antigen KI-67 isoform X1 [Pongo abelii]" 93.75 3254 98.33 99.17 2.89e-73 REF XP_002821327 "PREDICTED: antigen KI-67 isoform X2 [Pongo abelii]" 93.75 2894 98.33 99.17 2.87e-73 REF XP_004050323 "PREDICTED: antigen KI-67 isoform 1 [Gorilla gorilla gorilla]" 93.75 3254 99.17 100.00 3.49e-75 SP P46013 "RecName: Full=Antigen KI-67 [Homo sapiens]" 93.75 3256 100.00 100.00 5.85e-76 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ki67_FHA_monomer Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $ki67_FHA_monomer 'recombinant technology' . . . . . 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 $ki67_FHA_monomer . mM 0.3 0.5 '[U-13C; U-15N]' 'TrisHCl buffer' 10 mM . . . DTT 2 mM . . . EDTA 1 mM . . . 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 $ki67_FHA_monomer . mM 0.3 0.5 . 'TrisHCl buffer' 10 mM . . . DTT 2 mM . . . EDTA 1 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 2.6 loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCACONH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HCCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_15N-edited_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited NOESY' _Sample_label . save_ save_15N-edited_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '15N-edited TOCSY' _Sample_label . save_ save_13C-edited_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY' _Sample_label . save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 8.4 0.2 n/a temperature 290 1 K 'ionic strength' 0.01 0.01 M stop_ save_ save_condition_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.1 n/a temperature 290 1 K 'ionic strength' 0.15 0.02 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 $entry_citation $entry_citation DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 $entry_citation $entry_citation DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation 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_ki67_FHA _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'ki67 FHA monomer' _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 . 9 MET H H 8.23 0.02 1 2 . 9 MET CA C 55.2 0.2 1 3 . 9 MET C C 175.5 0.2 1 4 . 9 MET CB C 33.0 0.2 1 5 . 9 MET HA H 4.36 0.02 1 6 . 10 TRP H H 8.26 0.02 1 7 . 10 TRP N N 124.1 0.2 1 8 . 10 TRP CA C 55.0 0.2 1 9 . 10 TRP CB C 29.0 0.2 1 10 . 10 TRP HB3 H 3.20 0.02 2 11 . 10 TRP HD1 H 7.11 0.02 1 12 . 10 TRP NE1 N 130.3 0.2 1 13 . 10 TRP HE1 H 10.14 0.02 1 14 . 10 TRP HE3 H 7.50 0.02 1 15 . 10 TRP HZ2 H 7.40 0.02 1 16 . 10 TRP HZ3 H 7.03 0.02 1 17 . 10 TRP HH2 H 7.16 0.02 1 18 . 10 TRP HA H 4.83 0.02 1 19 . 10 TRP HB2 H 3.03 0.02 2 20 . 11 PRO CA C 63.1 0.2 1 21 . 11 PRO C C 176.8 0.2 1 22 . 11 PRO CD C 50.8 0.2 1 23 . 11 PRO HD2 H 3.38 0.02 2 24 . 11 PRO HD3 H 3.61 0.02 2 25 . 11 PRO HA H 4.47 0.02 1 26 . 12 THR H H 8.33 0.02 1 27 . 12 THR N N 115.9 0.2 1 28 . 12 THR CA C 62.6 0.2 1 29 . 12 THR C C 173.6 0.2 1 30 . 12 THR CB C 69.3 0.2 1 31 . 12 THR CG2 C 22.4 0.2 1 32 . 12 THR HG2 H 1.21 0.02 1 33 . 12 THR HA H 4.30 0.02 1 34 . 12 THR HB H 4.16 0.02 1 35 . 13 ARG H H 7.98 0.02 1 36 . 13 ARG N N 123.3 0.2 1 37 . 13 ARG CA C 54.9 0.2 1 38 . 13 ARG C C 176 0.2 1 39 . 13 ARG CB C 33.0 0.2 1 40 . 13 ARG HB3 H 1.84 0.02 2 41 . 13 ARG CG C 28.4 0.2 1 42 . 13 ARG HG2 H 1.75 0.02 2 43 . 13 ARG CD C 44.3 0.2 1 44 . 13 ARG HD2 H 3.25 0.02 2 45 . 13 ARG HD3 H 3.35 0.02 2 46 . 13 ARG HA H 5.12 0.02 1 47 . 13 ARG HB2 H 1.90 0.02 2 48 . 14 ARG H H 9.07 0.02 1 49 . 14 ARG N N 121.1 0.2 1 50 . 14 ARG CA C 55.1 0.2 1 51 . 14 ARG C C 172.6 0.2 1 52 . 14 ARG CB C 33.3 0.2 1 53 . 14 ARG HB3 H 1.86 0.02 2 54 . 14 ARG CG C 26.3 0.2 1 55 . 14 ARG HG2 H 1.14 0.02 2 56 . 14 ARG HG3 H 1.47 0.02 2 57 . 14 ARG CD C 43.8 0.2 1 58 . 14 ARG HD2 H 2.81 0.02 2 59 . 14 ARG HA H 5.09 0.02 1 60 . 14 ARG HB2 H 1.50 0.02 2 61 . 15 LEU H H 8.76 0.02 1 62 . 15 LEU N N 118.4 0.2 1 63 . 15 LEU CA C 52.6 0.2 1 64 . 15 LEU C C 176.5 0.2 1 65 . 15 LEU CB C 46.0 0.2 1 66 . 15 LEU HB3 H 1.94 0.02 2 67 . 15 LEU CG C 27.3 0.2 1 68 . 15 LEU CD1 C 24.5 0.2 2 69 . 15 LEU HD1 H 1.00 0.02 2 70 . 15 LEU CD2 C 27.9 0.2 2 71 . 15 LEU HD2 H 0.81 0.02 2 72 . 15 LEU HG H 1.81 0.02 1 73 . 15 LEU HA H 5.47 0.02 1 74 . 15 LEU HB2 H 1.45 0.02 2 75 . 16 VAL H H 9.73 0.02 1 76 . 16 VAL N N 125.3 0.2 1 77 . 16 VAL CA C 62.2 0.2 1 78 . 16 VAL C C 176.6 0.2 1 79 . 16 VAL CB C 34.4 0.2 1 80 . 16 VAL CG1 C 19.8 0.2 2 81 . 16 VAL HG1 H 0.39 0.02 2 82 . 16 VAL CG2 C 20.0 0.2 2 83 . 16 VAL HG2 H 0.87 0.02 2 84 . 16 VAL HA H 4.20 0.02 1 85 . 16 VAL HB H 1.83 0.02 1 86 . 17 THR H H 8.33 0.02 1 87 . 17 THR N N 125.0 0.2 1 88 . 17 THR CA C 65.0 0.2 1 89 . 17 THR C C 172.4 0.2 1 90 . 17 THR CB C 70.3 0.2 1 91 . 17 THR CG2 C 21.3 0.2 1 92 . 17 THR HG2 H 1.20 0.02 1 93 . 17 THR HA H 3.98 0.02 1 94 . 17 THR HB H 3.99 0.02 1 95 . 18 ILE H H 7.68 0.02 1 96 . 18 ILE N N 127.3 0.2 1 97 . 18 ILE CA C 59.9 0.2 1 98 . 18 ILE C C 177.3 0.2 1 99 . 18 ILE CB C 37.3 0.2 1 100 . 18 ILE CG2 C 16.7 0.2 1 101 . 18 ILE HG2 H 0.80 0.02 1 102 . 18 ILE CG1 C 26.6 0.2 1 103 . 18 ILE HG12 H 1.01 0.02 2 104 . 18 ILE HG13 H 1.30 0.02 2 105 . 18 ILE CD1 C 12.6 0.2 1 106 . 18 ILE HD1 H 0.67 0.02 1 107 . 18 ILE HA H 4.29 0.02 1 108 . 18 ILE HB H 1.48 0.02 1 109 . 19 LYS H H 8.74 0.02 1 110 . 19 LYS N N 128.6 0.2 1 111 . 19 LYS CA C 57.1 0.2 1 112 . 19 LYS CB C 33.5 0.2 1 113 . 19 LYS HB3 H 2.05 0.02 2 114 . 19 LYS CG C 25.7 0.2 1 115 . 19 LYS HG2 H 1.40 0.02 2 116 . 19 LYS CD C 29.5 0.2 1 117 . 19 LYS HD2 H 1.62 0.02 2 118 . 19 LYS HE2 H 2.98 0.02 2 119 . 19 LYS HA H 4.29 0.02 1 120 . 19 LYS HB2 H 1.80 0.02 2 121 . 21 SER CA C 58.8 0.2 1 122 . 21 SER C C 175.7 0.2 1 123 . 21 SER CB C 63.2 0.2 1 124 . 21 SER HA H 4.22 0.02 1 125 . 21 SER HB2 H 4.03 0.02 2 126 . 22 GLY H H 8.34 0.02 1 127 . 22 GLY N N 111.7 0.2 1 128 . 22 GLY CA C 44.9 0.2 1 129 . 22 GLY HA3 H 4.33 0.02 2 130 . 22 GLY C C 174 0.2 1 131 . 22 GLY HA2 H 3.54 0.02 2 132 . 23 VAL H H 7.04 0.02 1 133 . 23 VAL N N 117.5 0.2 1 134 . 23 VAL CA C 60.7 0.2 1 135 . 23 VAL C C 174.4 0.2 1 136 . 23 VAL CB C 33.4 0.2 1 137 . 23 VAL CG1 C 21.1 0.2 2 138 . 23 VAL HG1 H 0.92 0.02 2 139 . 23 VAL CG2 C 19.9 0.2 2 140 . 23 VAL HG2 H 0.79 0.02 2 141 . 23 VAL HA H 4.29 0.02 1 142 . 23 VAL HB H 2.06 0.02 1 143 . 24 ASP H H 8.57 0.02 1 144 . 24 ASP N N 124.7 0.2 1 145 . 24 ASP CA C 55.8 0.2 1 146 . 24 ASP C C 177.2 0.2 1 147 . 24 ASP CB C 41.3 0.2 1 148 . 24 ASP HA H 4.62 0.02 1 149 . 24 ASP HB2 H 2.69 0.02 2 150 . 25 GLY H H 8.99 0.02 1 151 . 25 GLY N N 112.5 0.2 1 152 . 25 GLY CA C 43.2 0.2 1 153 . 25 GLY HA3 H 4.52 0.02 2 154 . 25 GLY HA2 H 3.51 0.02 2 155 . 26 PRO CA C 63.3 0.2 1 156 . 26 PRO C C 176.3 0.2 1 157 . 26 PRO HD2 H 3.52 0.02 2 158 . 26 PRO HA H 4.41 0.02 1 159 . 27 HIS H H 8.80 0.02 1 160 . 27 HIS N N 122.1 0.2 1 161 . 27 HIS CA C 54.4 0.2 1 162 . 27 HIS C C 175.2 0.2 1 163 . 27 HIS CB C 34.4 0.2 1 164 . 27 HIS HB3 H 3.06 0.02 2 165 . 27 HIS HD2 H 7.02 0.02 1 166 . 27 HIS HE1 H 7.55 0.02 1 167 . 27 HIS HA H 5.57 0.02 1 168 . 27 HIS HB2 H 2.77 0.02 2 169 . 28 PHE H H 9.64 0.02 1 170 . 28 PHE N N 124.2 0.2 1 171 . 28 PHE CA C 54.7 0.2 1 172 . 28 PHE C C 173 0.2 1 173 . 28 PHE CB C 41.8 0.2 1 174 . 28 PHE HB3 H 3.04 0.02 2 175 . 28 PHE HD1 H 7.07 0.02 3 176 . 28 PHE HE1 H 7.29 0.02 3 177 . 28 PHE HZ H 7.27 0.02 1 178 . 28 PHE HA H 5.05 0.02 1 179 . 28 PHE HB2 H 2.78 0.02 2 180 . 29 PRO CA C 62.8 0.2 1 181 . 29 PRO C C 175.8 0.2 1 182 . 29 PRO CB C 32.4 0.2 1 183 . 29 PRO HB3 H 2.19 0.02 2 184 . 29 PRO CG C 27.4 0.2 1 185 . 29 PRO HG2 H 1.91 0.02 2 186 . 29 PRO HG3 H 2.08 0.02 2 187 . 29 PRO CD C 51.0 0.2 1 188 . 29 PRO HD2 H 3.43 0.02 2 189 . 29 PRO HD3 H 3.62 0.02 2 190 . 29 PRO HA H 4.38 0.02 1 191 . 29 PRO HB2 H 1.89 0.02 2 192 . 30 LEU H H 8.19 0.02 1 193 . 30 LEU N N 125.8 0.2 1 194 . 30 LEU CA C 53.1 0.2 1 195 . 30 LEU C C 176.2 0.2 1 196 . 30 LEU CB C 41.3 0.2 1 197 . 30 LEU CG C 27.0 0.2 1 198 . 30 LEU CD1 C 24.3 0.2 2 199 . 30 LEU HD1 H 0.97 0.02 2 200 . 30 LEU CD2 C 26.6 0.2 2 201 . 30 LEU HD2 H 0.98 0.02 2 202 . 30 LEU HG H 1.75 0.02 1 203 . 30 LEU HA H 4.82 0.02 1 204 . 30 LEU HB2 H 1.51 0.02 2 205 . 31 SER H H 8.10 0.02 1 206 . 31 SER N N 118.9 0.2 1 207 . 31 SER CA C 58.3 0.2 1 208 . 31 SER C C 174.3 0.2 1 209 . 31 SER CB C 64.2 0.2 1 210 . 31 SER HB3 H 3.86 0.02 2 211 . 31 SER HA H 4.46 0.02 1 212 . 31 SER HB2 H 3.80 0.02 2 213 . 32 LEU H H 8.09 0.02 1 214 . 32 LEU N N 122.7 0.2 1 215 . 32 LEU CA C 54.1 0.2 1 216 . 32 LEU C C 177.2 0.2 1 217 . 32 LEU CB C 42.8 0.2 1 218 . 32 LEU HB3 H 1.91 0.02 2 219 . 32 LEU CG C 27.3 0.2 1 220 . 32 LEU CD1 C 23.2 0.2 2 221 . 32 LEU HD1 H 0.94 0.02 2 222 . 32 LEU CD2 C 25.7 0.2 2 223 . 32 LEU HD2 H 0.97 0.02 2 224 . 32 LEU HG H 1.69 0.02 1 225 . 32 LEU HA H 4.67 0.02 1 226 . 32 LEU HB2 H 1.82 0.02 2 227 . 33 SER H H 8.40 0.02 1 228 . 33 SER N N 114.1 0.2 1 229 . 33 SER CA C 60.2 0.2 1 230 . 33 SER C C 173.6 0.2 1 231 . 33 SER CB C 63.6 0.2 1 232 . 33 SER HB3 H 4.09 0.02 2 233 . 33 SER HA H 4.40 0.02 1 234 . 33 SER HB2 H 4.01 0.02 2 235 . 34 THR H H 7.42 0.02 1 236 . 34 THR N N 113.2 0.2 1 237 . 34 THR CA C 60.9 0.2 1 238 . 34 THR C C 173.6 0.2 1 239 . 34 THR CB C 72.0 0.2 1 240 . 34 THR CG2 C 22.9 0.2 1 241 . 34 THR HG2 H 1.19 0.02 1 242 . 34 THR HA H 5.25 0.02 1 243 . 34 THR HB H 3.91 0.02 1 244 . 35 CYS H H 8.88 0.02 1 245 . 35 CYS N N 124.9 0.2 1 246 . 35 CYS CA C 58.3 0.2 1 247 . 35 CYS C C 173.8 0.2 1 248 . 35 CYS CB C 28.8 0.2 1 249 . 35 CYS HB3 H 2.61 0.02 2 250 . 35 CYS HG H 0.70 0.02 1 251 . 35 CYS HA H 4.61 0.02 1 252 . 35 CYS HB2 H 2.55 0.02 2 253 . 36 LEU H H 10.22 0.02 1 254 . 36 LEU N N 133.6 0.2 1 255 . 36 LEU CA C 54.6 0.2 1 256 . 36 LEU C C 175.6 0.2 1 257 . 36 LEU CB C 46.7 0.2 1 258 . 36 LEU CG C 27.9 0.2 1 259 . 36 LEU CD1 C 25.5 0.2 2 260 . 36 LEU HD1 H 0.95 0.02 2 261 . 36 LEU CD2 C 24.7 0.2 2 262 . 36 LEU HD2 H 1.01 0.02 2 263 . 36 LEU HG H 1.76 0.02 1 264 . 36 LEU HA H 5.03 0.02 1 265 . 36 LEU HB2 H 1.73 0.02 2 266 . 37 PHE H H 9.11 0.02 1 267 . 37 PHE N N 122.4 0.2 1 268 . 37 PHE CA C 54.6 0.2 1 269 . 37 PHE C C 177 0.2 1 270 . 37 PHE CB C 42.8 0.2 1 271 . 37 PHE HB3 H 3.56 0.02 2 272 . 37 PHE HD1 H 6.75 0.02 3 273 . 37 PHE HE1 H 6.26 0.02 3 274 . 37 PHE HZ H 6.65 0.02 1 275 . 37 PHE HA H 5.89 0.02 1 276 . 37 PHE HB2 H 2.39 0.02 2 277 . 38 GLY H H 8.61 0.02 1 278 . 38 GLY N N 109.6 0.2 1 279 . 38 GLY CA C 47.1 0.2 1 280 . 38 GLY HA3 H 4.89 0.02 2 281 . 38 GLY C C 171.2 0.2 1 282 . 38 GLY HA2 H 3.92 0.02 2 283 . 39 ARG H H 8.52 0.02 1 284 . 39 ARG N N 121.0 0.2 1 285 . 39 ARG CA C 56.5 0.2 1 286 . 39 ARG C C 178.3 0.2 1 287 . 39 ARG CB C 32.5 0.2 1 288 . 39 ARG HB3 H 1.86 0.02 2 289 . 39 ARG CG C 27.9 0.2 1 290 . 39 ARG HG2 H 1.52 0.02 2 291 . 39 ARG HG3 H 1.63 0.02 2 292 . 39 ARG CD C 44.1 0.2 1 293 . 39 ARG HD2 H 3.21 0.02 2 294 . 39 ARG HD3 H 3.41 0.02 2 295 . 39 ARG HA H 4.51 0.02 1 296 . 39 ARG HB2 H 1.69 0.02 2 297 . 40 GLY H H 9.45 0.02 1 298 . 40 GLY N N 113.0 0.2 1 299 . 40 GLY CA C 45.5 0.2 1 300 . 40 GLY HA3 H 4.11 0.02 2 301 . 40 GLY C C 175 0.2 1 302 . 40 GLY HA2 H 3.90 0.02 2 303 . 41 ILE H H 8.46 0.02 1 304 . 41 ILE N N 122.6 0.2 1 305 . 41 ILE CA C 63.3 0.2 1 306 . 41 ILE C C 175.9 0.2 1 307 . 41 ILE CB C 39.3 0.2 1 308 . 41 ILE CG2 C 17.5 0.2 1 309 . 41 ILE HG2 H 0.99 0.02 1 310 . 41 ILE CG1 C 28.8 0.2 1 311 . 41 ILE HG12 H 1.31 0.02 2 312 . 41 ILE HG13 H 1.48 0.02 2 313 . 41 ILE CD1 C 14.3 0.2 1 314 . 41 ILE HD1 H 0.92 0.02 1 315 . 41 ILE HA H 3.76 0.02 1 316 . 41 ILE HB H 1.87 0.02 1 317 . 42 GLU H H 10.51 0.02 1 318 . 42 GLU N N 122.8 0.2 1 319 . 42 GLU CA C 57.0 0.2 1 320 . 42 GLU C C 177 0.2 1 321 . 42 GLU CB C 28.1 0.2 1 322 . 42 GLU HB3 H 2.00 0.02 2 323 . 42 GLU CG C 35.6 0.2 1 324 . 42 GLU HG2 H 2.12 0.02 2 325 . 42 GLU HG3 H 2.29 0.02 2 326 . 42 GLU HA H 4.28 0.02 1 327 . 42 GLU HB2 H 1.96 0.02 2 328 . 43 CYS H H 7.60 0.02 1 329 . 43 CYS N N 121.9 0.2 1 330 . 43 CYS CA C 61.5 0.2 1 331 . 43 CYS C C 173.3 0.2 1 332 . 43 CYS CB C 27.6 0.2 1 333 . 43 CYS HB3 H 2.61 0.02 2 334 . 43 CYS HG H 2.21 0.02 1 335 . 43 CYS HA H 3.80 0.02 1 336 . 43 CYS HB2 H 2.50 0.02 2 337 . 44 ASP H H 7.89 0.02 1 338 . 44 ASP N N 123.9 0.2 1 339 . 44 ASP CA C 56.9 0.2 1 340 . 44 ASP C C 176 0.2 1 341 . 44 ASP CB C 43.4 0.2 1 342 . 44 ASP HB3 H 2.60 0.02 2 343 . 44 ASP HA H 4.23 0.02 1 344 . 44 ASP HB2 H 2.53 0.02 2 345 . 45 ILE H H 7.62 0.02 1 346 . 45 ILE N N 118.7 0.2 1 347 . 45 ILE CA C 59.6 0.2 1 348 . 45 ILE C C 173.7 0.2 1 349 . 45 ILE CB C 37.0 0.2 1 350 . 45 ILE CG2 C 17.5 0.2 1 351 . 45 ILE HG2 H 0.18 0.02 1 352 . 45 ILE CG1 C 25.7 0.2 1 353 . 45 ILE HG12 H -0.16 0.02 2 354 . 45 ILE HG13 H -0.25 0.02 2 355 . 45 ILE CD1 C 10.9 0.2 1 356 . 45 ILE HD1 H -0.63 0.02 1 357 . 45 ILE HA H 3.65 0.02 1 358 . 45 ILE HB H 0.79 0.02 1 359 . 46 ARG H H 8.42 0.02 1 360 . 46 ARG N N 127.7 0.2 1 361 . 46 ARG CA C 54.3 0.2 1 362 . 46 ARG C C 176.7 0.2 1 363 . 46 ARG CB C 31.0 0.2 1 364 . 46 ARG HB3 H 1.72 0.02 2 365 . 46 ARG CG C 28.2 0.2 1 366 . 46 ARG HG2 H 1.26 0.02 2 367 . 46 ARG HG3 H 1.59 0.02 2 368 . 46 ARG CD C 44.6 0.2 1 369 . 46 ARG HD2 H 3.11 0.02 2 370 . 46 ARG HA H 5.35 0.02 1 371 . 46 ARG HB2 H 1.59 0.02 2 372 . 47 ILE H H 8.18 0.02 1 373 . 47 ILE N N 129.5 0.2 1 374 . 47 ILE CA C 60.6 0.2 1 375 . 47 ILE CB C 40.4 0.2 1 376 . 47 ILE CG2 C 19.0 0.2 1 377 . 47 ILE HG2 H 0.80 0.02 1 378 . 47 ILE CG1 C 27.1 0.2 1 379 . 47 ILE HG12 H 1.16 0.02 2 380 . 47 ILE HG13 H 1.5 0.02 2 381 . 47 ILE CD1 C 15.8 0.2 1 382 . 47 ILE HD1 H 0.98 0.02 1 383 . 47 ILE HA H 4.16 0.02 1 384 . 47 ILE HB H 1.63 0.02 1 385 . 48 GLN H H 8.82 0.02 1 386 . 48 GLN N N 127 0.2 1 387 . 48 GLN CA C 55.5 0.2 1 388 . 48 GLN C C 175 0.2 1 389 . 48 GLN CB C 28.0 0.2 1 390 . 48 GLN HB3 H 2.19 0.02 2 391 . 48 GLN HA H 4.35 0.02 1 392 . 48 GLN HB2 H 1.92 0.02 2 393 . 49 LEU H H 7.20 0.02 1 394 . 49 LEU N N 123.6 0.2 1 395 . 49 LEU CA C 51.9 0.2 1 396 . 49 LEU C C 176.5 0.2 1 397 . 49 LEU CB C 45.8 0.2 1 398 . 49 LEU HB3 H 1.48 0.02 2 399 . 49 LEU CG C 27.6 0.2 1 400 . 49 LEU CD1 C 23.4 0.2 2 401 . 49 LEU HD1 H 1.00 0.02 2 402 . 49 LEU CD2 C 25.3 0.2 2 403 . 49 LEU HD2 H 0.83 0.02 2 404 . 49 LEU HG H 1.49 0.02 1 405 . 49 LEU HA H 4.91 0.02 1 406 . 49 LEU HB2 H 1.46 0.02 2 407 . 50 PRO CA C 64.9 0.2 1 408 . 50 PRO C C 177.2 0.2 1 409 . 50 PRO CB C 32.4 0.2 1 410 . 50 PRO HB3 H 2.38 0.02 2 411 . 50 PRO CG C 27.6 0.2 1 412 . 50 PRO HG2 H 2.09 0.02 2 413 . 50 PRO CD C 50.8 0.2 1 414 . 50 PRO HD2 H 3.88 0.02 2 415 . 50 PRO HD3 H 3.93 0.02 2 416 . 50 PRO HA H 4.21 0.02 1 417 . 50 PRO HB2 H 2.00 0.02 2 418 . 51 VAL H H 6.46 0.02 1 419 . 51 VAL N N 106.2 0.2 1 420 . 51 VAL CA C 61.6 0.2 1 421 . 51 VAL C C 175.7 0.2 1 422 . 51 VAL CB C 31.4 0.2 1 423 . 51 VAL CG1 C 19.4 0.2 2 424 . 51 VAL HG1 H 0.85 0.02 2 425 . 51 VAL CG2 C 21.6 0.2 2 426 . 51 VAL HG2 H 0.97 0.02 2 427 . 51 VAL HA H 4.20 0.02 1 428 . 51 VAL HB H 2.38 0.02 1 429 . 52 VAL H H 7.50 0.02 1 430 . 52 VAL N N 124.9 0.2 1 431 . 52 VAL CA C 61.8 0.2 1 432 . 52 VAL C C 176.1 0.2 1 433 . 52 VAL CB C 32.1 0.2 1 434 . 52 VAL CG1 C 21.8 0.2 2 435 . 52 VAL HG1 H 1.20 0.02 2 436 . 52 VAL CG2 C 25.4 0.2 2 437 . 52 VAL HG2 H 0.72 0.02 2 438 . 52 VAL HA H 4.19 0.02 1 439 . 52 VAL HB H 2.22 0.02 1 440 . 53 SER H H 10.90 0.02 1 441 . 53 SER N N 127.3 0.2 1 442 . 53 SER CA C 60.3 0.2 1 443 . 53 SER CB C 64.3 0.2 1 444 . 53 SER HB3 H 3.98 0.02 2 445 . 53 SER HA H 4.47 0.02 1 446 . 53 SER HB2 H 3.71 0.02 2 447 . 54 LYS H H 9.16 0.02 1 448 . 54 LYS N N 126.9 0.2 1 449 . 54 LYS CA C 61.6 0.2 1 450 . 54 LYS C C 177.1 0.2 1 451 . 54 LYS HA H 3.76 0.02 1 452 . 55 GLN H H 7.46 0.02 1 453 . 55 GLN N N 112.1 0.2 1 454 . 55 GLN CA C 56.4 0.2 1 455 . 55 GLN C C 173.1 0.2 1 456 . 55 GLN CB C 29.1 0.2 1 457 . 55 GLN CG C 33.3 0.2 1 458 . 55 GLN HG2 H 2.19 0.02 2 459 . 55 GLN HG3 H 2.32 0.02 2 460 . 55 GLN NE2 N 112.4 0.2 1 461 . 55 GLN HE21 H 6.53 0.02 2 462 . 55 GLN HE22 H 8.53 0.02 2 463 . 55 GLN HA H 4.42 0.02 1 464 . 55 GLN HB2 H 1.81 0.02 2 465 . 56 HIS H H 10.07 0.02 1 466 . 56 HIS N N 128.1 0.2 1 467 . 56 HIS CA C 59.7 0.2 1 468 . 56 HIS C C 175.3 0.2 1 469 . 56 HIS CB C 36.6 0.2 1 470 . 56 HIS HB3 H 3.23 0.02 2 471 . 56 HIS HD2 H 7.13 0.02 1 472 . 56 HIS HE1 H 7.91 0.02 1 473 . 56 HIS NE2 N 164.9 0.2 1 474 . 56 HIS HE2 H 11.10 0.02 1 475 . 56 HIS HA H 4.40 0.02 1 476 . 56 HIS HB2 H 3.10 0.02 2 477 . 57 CYS H H 8.36 0.02 1 478 . 57 CYS N N 111.8 0.2 1 479 . 57 CYS CA C 56.5 0.2 1 480 . 57 CYS C C 171.8 0.2 1 481 . 57 CYS CB C 30.0 0.2 1 482 . 57 CYS HA H 4.60 0.02 1 483 . 57 CYS HB2 H 3.18 0.02 2 484 . 58 LYS H H 8.70 0.02 1 485 . 58 LYS N N 120.2 0.2 1 486 . 58 LYS CA C 54.8 0.2 1 487 . 58 LYS C C 174.4 0.2 1 488 . 58 LYS CB C 38.6 0.2 1 489 . 58 LYS CG C 25.3 0.2 1 490 . 58 LYS HG2 H 1.22 0.02 2 491 . 58 LYS CD C 30.2 0.2 1 492 . 58 LYS HD2 H 1.70 0.02 2 493 . 58 LYS CE C 42.1 0.2 1 494 . 58 LYS HE2 H 2.38 0.02 2 495 . 58 LYS HE3 H 2.63 0.02 2 496 . 58 LYS HA H 5.76 0.02 1 497 . 58 LYS HB2 H 1.81 0.02 2 498 . 59 ILE H H 9.42 0.02 1 499 . 59 ILE N N 124.3 0.2 1 500 . 59 ILE CA C 60.2 0.2 1 501 . 59 ILE C C 175.2 0.2 1 502 . 59 ILE CB C 41.7 0.2 1 503 . 59 ILE CG2 C 18.3 0.2 1 504 . 59 ILE HG2 H 0.66 0.02 1 505 . 59 ILE CG1 C 29.5 0.2 1 506 . 59 ILE HG12 H 0.79 0.02 2 507 . 59 ILE HG13 H 1.91 0.02 2 508 . 59 ILE CD1 C 15.2 0.2 1 509 . 59 ILE HD1 H 0.93 0.02 1 510 . 59 ILE HA H 5.09 0.02 1 511 . 59 ILE HB H 1.60 0.02 1 512 . 60 GLU H H 9.47 0.02 1 513 . 60 GLU N N 128.3 0.2 1 514 . 60 GLU CA C 54.4 0.2 1 515 . 60 GLU C C 175.1 0.2 1 516 . 60 GLU CB C 33.2 0.2 1 517 . 60 GLU HB3 H 2.09 0.02 2 518 . 60 GLU CG C 36.4 0.2 1 519 . 60 GLU HG2 H 2.10 0.02 2 520 . 60 GLU HG3 H 2.20 0.02 2 521 . 60 GLU HA H 5.03 0.02 1 522 . 60 GLU HB2 H 1.95 0.02 2 523 . 61 ILE H H 8.80 0.02 1 524 . 61 ILE N N 126.1 0.2 1 525 . 61 ILE CA C 59.9 0.2 1 526 . 61 ILE C C 175.9 0.2 1 527 . 61 ILE CB C 37.3 0.2 1 528 . 61 ILE CG2 C 18.0 0.2 1 529 . 61 ILE HG2 H 0.72 0.02 1 530 . 61 ILE CG1 C 28.1 0.2 1 531 . 61 ILE HG12 H 1.15 0.02 2 532 . 61 ILE HG13 H 1.41 0.02 2 533 . 61 ILE CD1 C 12.7 0.2 1 534 . 61 ILE HD1 H 0.70 0.02 1 535 . 61 ILE HA H 4.76 0.02 1 536 . 61 ILE HB H 1.91 0.02 1 537 . 62 HIS H H 8.83 0.02 1 538 . 62 HIS N N 129.6 0.2 1 539 . 62 HIS CA C 55.1 0.2 1 540 . 62 HIS CB C 33.0 0.2 1 541 . 62 HIS HB3 H 3.10 0.02 2 542 . 62 HIS HD2 H 6.85 0.02 1 543 . 62 HIS HE1 H 7.71 0.02 1 544 . 62 HIS HA H 4.72 0.02 1 545 . 62 HIS HB2 H 2.93 0.02 2 546 . 63 GLU CG C 36.6 0.2 1 547 . 63 GLU HG2 H 2.04 0.02 2 548 . 63 GLU HA H 4.1 0.02 1 549 . 63 GLU HB2 H 1.70 0.02 2 550 . 64 GLN H H 8.52 0.02 1 551 . 64 GLN N N 114.0 0.2 1 552 . 64 GLN CA C 56.4 0.2 1 553 . 64 GLN C C 175.5 0.2 1 554 . 64 GLN CG C 33.8 0.2 1 555 . 64 GLN HG2 H 2.27 0.02 2 556 . 64 GLN NE2 N 113.4 0.2 1 557 . 64 GLN HE21 H 7.58 0.02 1 558 . 64 GLN HE22 H 6.80 0.02 1 559 . 64 GLN HA H 4.05 0.02 1 560 . 64 GLN HB2 H 2.0 0.02 2 561 . 65 GLU H H 7.91 0.02 1 562 . 65 GLU N N 120.2 0.2 1 563 . 65 GLU CA C 55.1 0.2 1 564 . 65 GLU C C 173.3 0.2 1 565 . 65 GLU CB C 32.2 0.2 1 566 . 65 GLU HB3 H 2.06 0.02 2 567 . 65 GLU CG C 35.6 0.2 1 568 . 65 GLU HG2 H 2.25 0.02 2 569 . 65 GLU HA H 4.59 0.02 1 570 . 65 GLU HB2 H 1.97 0.02 2 571 . 66 ALA H H 8.96 0.02 1 572 . 66 ALA N N 126.0 0.2 1 573 . 66 ALA CA C 50.7 0.2 1 574 . 66 ALA C C 174.6 0.2 1 575 . 66 ALA CB C 21.7 0.2 1 576 . 66 ALA HA H 5.00 0.02 1 577 . 66 ALA HB H 1.01 0.02 1 578 . 67 ILE H H 9.04 0.02 1 579 . 67 ILE N N 124.7 0.2 1 580 . 67 ILE CA C 59.1 0.2 1 581 . 67 ILE C C 174.6 0.2 1 582 . 67 ILE CB C 39.9 0.2 1 583 . 67 ILE CG2 C 18.6 0.2 1 584 . 67 ILE HG2 H 0.41 0.02 1 585 . 67 ILE CG1 C 28.2 0.2 1 586 . 67 ILE HG12 H 1.03 0.02 2 587 . 67 ILE HG13 H 1.39 0.02 2 588 . 67 ILE CD1 C 12.5 0.2 1 589 . 67 ILE HD1 H 0.69 0.02 1 590 . 67 ILE HA H 4.63 0.02 1 591 . 67 ILE HB H 1.93 0.02 1 592 . 68 LEU H H 9.25 0.02 1 593 . 68 LEU N N 130.9 0.2 1 594 . 68 LEU CA C 54.0 0.2 1 595 . 68 LEU C C 175 0.2 1 596 . 68 LEU CB C 44.9 0.2 1 597 . 68 LEU HB3 H 1.68 0.02 2 598 . 68 LEU CG C 28.0 0.2 1 599 . 68 LEU CD1 C 25.4 0.2 2 600 . 68 LEU HD1 H 0.67 0.02 2 601 . 68 LEU CD2 C 27.8 0.2 2 602 . 68 LEU HD2 H 0.59 0.02 2 603 . 68 LEU HG H 1.23 0.02 1 604 . 68 LEU HA H 5.04 0.02 1 605 . 68 LEU HB2 H 1.04 0.02 2 606 . 69 HIS H H 9.65 0.02 1 607 . 69 HIS N N 121.7 0.2 1 608 . 69 HIS CA C 53.8 0.2 1 609 . 69 HIS C C 174.1 0.2 1 610 . 69 HIS CB C 34.4 0.2 1 611 . 69 HIS HB3 H 2.68 0.02 2 612 . 69 HIS HD2 H 6.83 0.02 1 613 . 69 HIS HE1 H 7.59 0.02 1 614 . 69 HIS HA H 4.58 0.02 1 615 . 69 HIS HB2 H 2.60 0.02 2 616 . 70 ASN H H 9.14 0.02 1 617 . 70 ASN N N 124.7 0.2 1 618 . 70 ASN CA C 54.0 0.2 1 619 . 70 ASN CB C 43.2 0.2 1 620 . 70 ASN HB3 H 2.74 0.02 2 621 . 70 ASN ND2 N 124.5 0.2 1 622 . 70 ASN HD21 H 8.00 0.02 2 623 . 70 ASN HD22 H 8.31 0.02 2 624 . 70 ASN HA H 4.52 0.02 1 625 . 70 ASN HB2 H 2.12 0.02 2 626 . 71 PHE H H 8.35 0.02 1 627 . 71 PHE N N 121.6 0.2 1 628 . 71 PHE CA C 55.5 0.2 1 629 . 71 PHE C C 176.1 0.2 1 630 . 71 PHE CB C 40.3 0.2 1 631 . 71 PHE HB3 H 3.40 0.02 2 632 . 71 PHE HD1 H 6.92 0.02 3 633 . 71 PHE HE1 H 7.11 0.02 3 634 . 71 PHE HZ H 6.98 0.02 1 635 . 71 PHE HA H 5.12 0.02 1 636 . 71 PHE HB2 H 2.80 0.02 2 637 . 72 SER H H 6.79 0.02 1 638 . 72 SER N N 111.1 0.2 1 639 . 72 SER CA C 57.2 0.2 1 640 . 72 SER CB C 63.8 0.2 1 641 . 72 SER HB3 H 3.10 0.02 2 642 . 72 SER HA H 4.56 0.02 1 643 . 72 SER HB2 H 2.75 0.02 2 644 . 74 THR CA C 69.7 0.2 1 645 . 74 THR HG2 H 1.09 0.02 1 646 . 74 THR HA H 4.17 0.02 1 647 . 75 ASN CA C 52.7 0.2 1 648 . 75 ASN CB C 40.6 0.2 1 649 . 75 ASN HB3 H 2.75 0.02 2 650 . 75 ASN ND2 N 115.6 0.2 1 651 . 75 ASN HD21 H 7.13 0.02 2 652 . 75 ASN HD22 H 7.81 0.02 2 653 . 75 ASN HA H 4.88 0.02 1 654 . 75 ASN HB2 H 2.59 0.02 2 655 . 76 PRO CA C 64.0 0.2 1 656 . 76 PRO C C 177.1 0.2 1 657 . 76 PRO CB C 32.9 0.2 1 658 . 76 PRO HB3 H 2.51 0.02 2 659 . 76 PRO CG C 28.4 0.2 1 660 . 76 PRO HG2 H 1.96 0.02 2 661 . 76 PRO HG3 H 2.05 0.02 2 662 . 76 PRO CD C 50.9 0.2 1 663 . 76 PRO HD2 H 3.26 0.02 2 664 . 76 PRO HD3 H 3.53 0.02 2 665 . 76 PRO HA H 4.55 0.02 1 666 . 76 PRO HB2 H 2.00 0.02 2 667 . 77 THR H H 7.77 0.02 1 668 . 77 THR N N 120.2 0.2 1 669 . 77 THR CA C 65.9 0.2 1 670 . 77 THR C C 171.6 0.2 1 671 . 77 THR CB C 70.0 0.2 1 672 . 77 THR HG1 H 5.54 0.02 1 673 . 77 THR CG2 C 23.1 0.2 1 674 . 77 THR HG2 H 1.10 0.02 1 675 . 77 THR HA H 3.94 0.02 1 676 . 77 THR HB H 3.53 0.02 1 677 . 78 GLN H H 8.31 0.02 1 678 . 78 GLN N N 122.4 0.2 1 679 . 78 GLN CA C 53.7 0.2 1 680 . 78 GLN C C 176.1 0.2 1 681 . 78 GLN CB C 33.3 0.2 1 682 . 78 GLN HB3 H 1.80 0.02 2 683 . 78 GLN CG C 33.8 0.2 1 684 . 78 GLN HG2 H 1.79 0.02 2 685 . 78 GLN HG3 H 2.34 0.02 2 686 . 78 GLN NE2 N 110.2 0.2 1 687 . 78 GLN HE21 H 6.56 0.02 2 688 . 78 GLN HE22 H 7.22 0.02 2 689 . 78 GLN HA H 5.13 0.02 1 690 . 78 GLN HB2 H 1.58 0.02 2 691 . 79 VAL H H 8.52 0.02 1 692 . 79 VAL N N 119.0 0.2 1 693 . 79 VAL CA C 61.2 0.2 1 694 . 79 VAL C C 176.9 0.2 1 695 . 79 VAL CB C 33.3 0.2 1 696 . 79 VAL CG1 C 21.2 0.2 2 697 . 79 VAL HG1 H 0.75 0.02 2 698 . 79 VAL CG2 C 23.8 0.2 2 699 . 79 VAL HG2 H 0.72 0.02 2 700 . 79 VAL HA H 4.90 0.02 1 701 . 79 VAL HB H 1.76 0.02 1 702 . 80 ASN H H 10.02 0.02 1 703 . 80 ASN N N 128.4 0.2 1 704 . 80 ASN CA C 54.1 0.2 1 705 . 80 ASN C C 176.1 0.2 1 706 . 80 ASN CB C 37.3 0.2 1 707 . 80 ASN ND2 N 118.7 0.2 1 708 . 80 ASN HD21 H 7.52 0.02 2 709 . 80 ASN HD22 H 7.87 0.02 2 710 . 80 ASN HA H 4.43 0.02 1 711 . 80 ASN HB2 H 3.01 0.02 2 712 . 81 GLY H H 8.77 0.02 1 713 . 81 GLY N N 104.0 0.2 1 714 . 81 GLY CA C 45.7 0.2 1 715 . 81 GLY HA3 H 4.13 0.02 2 716 . 81 GLY C C 173.9 0.2 1 717 . 81 GLY HA2 H 3.74 0.02 2 718 . 82 SER H H 7.68 0.02 1 719 . 82 SER N N 116.5 0.2 1 720 . 82 SER CA C 57.2 0.2 1 721 . 82 SER C C 173.6 0.2 1 722 . 82 SER CB C 64.7 0.2 1 723 . 82 SER HB3 H 3.86 0.02 2 724 . 82 SER HA H 4.88 0.02 1 725 . 82 SER HB2 H 3.71 0.02 2 726 . 83 VAL H H 8.59 0.02 1 727 . 83 VAL N N 124.5 0.2 1 728 . 83 VAL CA C 64.0 0.2 1 729 . 83 VAL C C 176.2 0.2 1 730 . 83 VAL CB C 33.0 0.2 1 731 . 83 VAL CG1 C 21.7 0.2 2 732 . 83 VAL HG1 H 0.99 0.02 2 733 . 83 VAL CG2 C 22.0 0.2 2 734 . 83 VAL HG2 H 0.90 0.02 2 735 . 83 VAL HA H 3.86 0.02 1 736 . 83 VAL HB H 1.97 0.02 1 737 . 84 ILE H H 7.90 0.02 1 738 . 84 ILE N N 124.8 0.2 1 739 . 84 ILE CA C 59.1 0.2 1 740 . 84 ILE C C 174.5 0.2 1 741 . 84 ILE CB C 38.4 0.2 1 742 . 84 ILE CG2 C 18.6 0.2 1 743 . 84 ILE HG2 H 0.75 0.02 1 744 . 84 ILE CG1 C 26.2 0.2 1 745 . 84 ILE HG12 H 1.09 0.02 2 746 . 84 ILE HG13 H 1.20 0.02 2 747 . 84 ILE CD1 C 12.7 0.2 1 748 . 84 ILE HD1 H 0.5 0.02 1 749 . 84 ILE HA H 4.40 0.02 1 750 . 84 ILE HB H 1.85 0.02 1 751 . 85 ASP H H 8.56 0.02 1 752 . 85 ASP N N 124.8 0.2 1 753 . 85 ASP CA C 54.2 0.2 1 754 . 85 ASP C C 175.5 0.2 1 755 . 85 ASP CB C 42.1 0.2 1 756 . 85 ASP HB3 H 2.77 0.02 2 757 . 85 ASP HA H 4.73 0.02 1 758 . 85 ASP HB2 H 2.69 0.02 2 759 . 86 GLU H H 8.31 0.02 1 760 . 86 GLU N N 122.2 0.2 1 761 . 86 GLU CA C 54.9 0.2 1 762 . 86 GLU CB C 28.9 0.2 1 763 . 86 GLU HB3 H 2.11 0.02 2 764 . 86 GLU CG C 36.2 0.2 1 765 . 86 GLU HG2 H 2.30 0.02 2 766 . 86 GLU HA H 4.53 0.02 1 767 . 86 GLU HB2 H 1.91 0.02 2 768 . 87 PRO CA C 63.5 0.2 1 769 . 87 PRO C C 177.6 0.2 1 770 . 87 PRO CB C 31.9 0.2 1 771 . 87 PRO CG C 28.6 0.2 1 772 . 87 PRO HG2 H 1.82 0.02 2 773 . 87 PRO CD C 50.5 0.2 1 774 . 87 PRO HD2 H 3.51 0.02 2 775 . 87 PRO HD3 H 3.80 0.02 2 776 . 87 PRO HA H 4.57 0.02 1 777 . 87 PRO HB2 H 1.20 0.02 2 778 . 88 VAL H H 8.20 0.02 1 779 . 88 VAL N N 117.8 0.2 1 780 . 88 VAL CA C 59.1 0.2 1 781 . 88 VAL C C 174 0.2 1 782 . 88 VAL CB C 36.1 0.2 1 783 . 88 VAL CG1 C 20.6 0.2 2 784 . 88 VAL HG1 H 0.91 0.02 2 785 . 88 VAL CG2 C 21.5 0.2 2 786 . 88 VAL HG2 H 0.93 0.02 2 787 . 88 VAL HA H 4.57 0.02 1 788 . 88 VAL HB H 1.91 0.02 1 789 . 89 ARG H H 8.50 0.02 1 790 . 89 ARG N N 125.5 0.2 1 791 . 89 ARG CA C 56.0 0.2 1 792 . 89 ARG C C 176.6 0.2 1 793 . 89 ARG CB C 30.5 0.2 1 794 . 89 ARG HB3 H 1.78 0.02 2 795 . 89 ARG CG C 28.4 0.2 1 796 . 89 ARG HG2 H 1.54 0.02 2 797 . 89 ARG HG3 H 1.62 0.02 2 798 . 89 ARG CD C 44.1 0.2 1 799 . 89 ARG HD2 H 3.17 0.02 2 800 . 89 ARG HA H 4.56 0.02 1 801 . 89 ARG HB2 H 1.68 0.02 2 802 . 90 LEU H H 8.70 0.02 1 803 . 90 LEU N N 128.2 0.2 1 804 . 90 LEU CA C 54.3 0.2 1 805 . 90 LEU C C 176.1 0.2 1 806 . 90 LEU CB C 44.0 0.2 1 807 . 90 LEU HB3 H 1.01 0.02 2 808 . 90 LEU CG C 26.7 0.2 1 809 . 90 LEU CD1 C 23.1 0.2 2 810 . 90 LEU HD1 H 0.65 0.02 2 811 . 90 LEU CD2 C 26.7 0.2 2 812 . 90 LEU HD2 H 0.25 0.02 2 813 . 90 LEU HG H 1.37 0.02 1 814 . 90 LEU HA H 4.38 0.02 1 815 . 90 LEU HB2 H 0.67 0.02 2 816 . 91 LYS H H 9.15 0.02 1 817 . 91 LYS N N 123.3 0.2 1 818 . 91 LYS CA C 54.0 0.2 1 819 . 91 LYS C C 175.3 0.2 1 820 . 91 LYS CB C 35.5 0.2 1 821 . 91 LYS HB3 H 1.90 0.02 2 822 . 91 LYS CG C 24.0 0.2 1 823 . 91 LYS HG2 H 1.40 0.02 2 824 . 91 LYS HG3 H 1.61 0.02 2 825 . 91 LYS HE2 H 3.09 0.02 2 826 . 91 LYS HA H 4.80 0.02 1 827 . 91 LYS HB2 H 1.82 0.02 2 828 . 92 HIS H H 8.93 0.02 1 829 . 92 HIS N N 122.1 0.2 1 830 . 92 HIS CA C 59.9 0.2 1 831 . 92 HIS C C 176.9 0.2 1 832 . 92 HIS CB C 32.0 0.2 1 833 . 92 HIS HB3 H 3.24 0.02 2 834 . 92 HIS HD2 H 6.95 0.02 1 835 . 92 HIS HE1 H 7.53 0.02 1 836 . 92 HIS HA H 4.12 0.02 1 837 . 92 HIS HB2 H 3.00 0.02 2 838 . 93 GLY H H 9.29 0.02 1 839 . 93 GLY N N 118.8 0.2 1 840 . 93 GLY CA C 44.8 0.2 1 841 . 93 GLY HA3 H 4.32 0.02 2 842 . 93 GLY C C 174.2 0.2 1 843 . 93 GLY HA2 H 3.11 0.02 2 844 . 94 ASP H H 8.47 0.02 1 845 . 94 ASP N N 123.6 0.2 1 846 . 94 ASP CA C 56.0 0.2 1 847 . 94 ASP C C 175.2 0.2 1 848 . 94 ASP CB C 42.1 0.2 1 849 . 94 ASP HB3 H 2.88 0.02 2 850 . 94 ASP HA H 4.84 0.02 1 851 . 94 ASP HB2 H 2.35 0.02 2 852 . 95 VAL H H 8.35 0.02 1 853 . 95 VAL N N 120.5 0.2 1 854 . 95 VAL CA C 61.5 0.2 1 855 . 95 VAL C C 176.1 0.2 1 856 . 95 VAL CB C 34.1 0.2 1 857 . 95 VAL CG1 C 21.6 0.2 1 858 . 95 VAL HG1 H 0.77 0.02 2 859 . 95 VAL CG2 C 21.6 0.2 1 860 . 95 VAL HG2 H 0.99 0.02 2 861 . 95 VAL HA H 4.73 0.02 1 862 . 95 VAL HB H 1.98 0.02 1 863 . 96 ILE H H 9.75 0.02 1 864 . 96 ILE N N 133.8 0.2 1 865 . 96 ILE CA C 60.3 0.2 1 866 . 96 ILE C C 175.8 0.2 1 867 . 96 ILE CB C 41.8 0.2 1 868 . 96 ILE CG2 C 17.6 0.2 1 869 . 96 ILE HG2 H 0.50 0.02 1 870 . 96 ILE CG1 C 28.4 0.2 1 871 . 96 ILE HG12 H 0.82 0.02 2 872 . 96 ILE HG13 H 1.64 0.02 2 873 . 96 ILE CD1 C 16.1 0.2 1 874 . 96 ILE HD1 H 0.80 0.02 1 875 . 96 ILE HA H 4.72 0.02 1 876 . 96 ILE HB H 1.80 0.02 1 877 . 97 THR H H 9.16 0.02 1 878 . 97 THR N N 124.5 0.2 1 879 . 97 THR CA C 62.0 0.2 1 880 . 97 THR C C 173.3 0.2 1 881 . 97 THR CB C 71.7 0.2 1 882 . 97 THR CG2 C 22.0 0.2 1 883 . 97 THR HG2 H 0.88 0.02 1 884 . 97 THR HA H 5.33 0.02 1 885 . 97 THR HB H 3.57 0.02 1 886 . 98 ILE H H 9.14 0.02 1 887 . 98 ILE N N 130.1 0.2 1 888 . 98 ILE CA C 60.9 0.2 1 889 . 98 ILE C C 174.9 0.2 1 890 . 98 ILE CB C 40.4 0.2 1 891 . 98 ILE CG2 C 17.8 0.2 1 892 . 98 ILE HG2 H 0.23 0.02 1 893 . 98 ILE CG1 C 28.7 0.2 1 894 . 98 ILE HG12 H 0.80 0.02 2 895 . 98 ILE HG13 H 1.27 0.02 2 896 . 98 ILE CD1 C 16.1 0.2 1 897 . 98 ILE HD1 H 0.41 0.02 1 898 . 98 ILE HA H 4.08 0.02 1 899 . 98 ILE HB H 1.60 0.02 1 900 . 99 ILE H H 8.94 0.02 1 901 . 99 ILE N N 123.0 0.2 1 902 . 99 ILE CA C 63.6 0.2 1 903 . 99 ILE C C 172.5 0.2 1 904 . 99 ILE CB C 32.6 0.2 1 905 . 99 ILE CG2 C 17.7 0.2 1 906 . 99 ILE HG2 H 0.78 0.2 1 907 . 99 ILE HG12 H 1.08 0.02 2 908 . 99 ILE HG13 H 1.20 0.02 2 909 . 99 ILE CD1 C 10.4 0.2 1 910 . 99 ILE HD1 H 0.66 0.02 1 911 . 99 ILE HA H 3.26 0.02 1 912 . 99 ILE HB H 2.32 0.02 1 913 . 100 ASP H H 8.14 0.02 1 914 . 100 ASP N N 123.3 0.2 1 915 . 100 ASP CA C 52.8 0.2 1 916 . 100 ASP C C 175.6 0.2 1 917 . 100 ASP CB C 40.6 0.2 1 918 . 100 ASP HB3 H 2.98 0.02 2 919 . 100 ASP HA H 4.51 0.02 1 920 . 100 ASP HB2 H 2.48 0.02 2 921 . 101 ARG H H 8.34 0.02 1 922 . 101 ARG N N 123.3 0.2 1 923 . 101 ARG CA C 53.8 0.2 1 924 . 101 ARG C C 174.8 0.2 1 925 . 101 ARG CB C 30.4 0.2 1 926 . 101 ARG HB3 H 2.20 0.02 2 927 . 101 ARG CG C 26.9 0.2 1 928 . 101 ARG HG2 H 1.76 0.02 2 929 . 101 ARG CD C 42.6 0.2 1 930 . 101 ARG HD2 H 3.06 0.02 2 931 . 101 ARG HD3 H 3.14 0.02 2 932 . 101 ARG HA H 4.54 0.02 1 933 . 101 ARG HB2 H 1.80 0.02 2 934 . 102 SER H H 8.39 0.02 1 935 . 102 SER N N 118.9 0.2 1 936 . 102 SER CA C 57.8 0.2 1 937 . 102 SER C C 173.1 0.2 1 938 . 102 SER CB C 66.0 0.2 1 939 . 102 SER HB3 H 3.51 0.02 2 940 . 102 SER HA H 5.99 0.02 1 941 . 102 SER HB2 H 3.40 0.02 2 942 . 103 PHE H H 9.34 0.02 1 943 . 103 PHE N N 121.0 0.2 1 944 . 103 PHE CA C 56.2 0.2 1 945 . 103 PHE C C 173.8 0.2 1 946 . 103 PHE CB C 44.2 0.2 1 947 . 103 PHE HD1 H 7.03 0.02 3 948 . 103 PHE HE1 H 7.16 0.02 3 949 . 103 PHE HA H 5.13 0.02 1 950 . 103 PHE HB2 H 2.83 0.02 2 951 . 104 ARG H H 9.84 0.02 1 952 . 104 ARG N N 126.1 0.2 1 953 . 104 ARG CA C 54.9 0.2 1 954 . 104 ARG C C 175.5 0.2 1 955 . 104 ARG CB C 30.0 0.2 1 956 . 104 ARG HB3 H 1.42 0.02 2 957 . 104 ARG HD2 H 3.19 0.02 2 958 . 104 ARG NE N 84.1 0.2 1 959 . 104 ARG HE H 7.67 0.02 1 960 . 104 ARG HA H 5.22 0.02 1 961 . 104 ARG HB2 H 1.14 0.02 2 962 . 105 TYR H H 9.43 0.02 1 963 . 105 TYR N N 130.4 0.2 1 964 . 105 TYR CA C 57.9 0.2 1 965 . 105 TYR C C 173.3 0.2 1 966 . 105 TYR CB C 39.7 0.2 1 967 . 105 TYR HB3 H 2.96 0.02 2 968 . 105 TYR HD1 H 6.90 0.02 3 969 . 105 TYR HE1 H 6.38 0.02 3 970 . 105 TYR HA H 4.90 0.02 1 971 . 105 TYR HB2 H 2.72 0.02 2 972 . 106 GLU H H 8.52 0.02 1 973 . 106 GLU N N 126.9 0.2 1 974 . 106 GLU CA C 54.0 0.2 1 975 . 106 GLU C C 174.3 0.2 1 976 . 106 GLU CG C 37.4 0.2 1 977 . 106 GLU HG2 H 1.75 0.02 2 978 . 106 GLU HG3 H 2.05 0.02 2 979 . 106 GLU HA H 4.72 0.02 1 980 . 106 GLU HB2 H 1.89 0.02 2 981 . 107 ASN H H 10.88 0.02 1 982 . 107 ASN N N 121.7 0.2 1 983 . 107 ASN CA C 52.4 0.2 1 984 . 107 ASN CB C 40.4 0.2 1 985 . 107 ASN ND2 N 111.1 0.2 1 986 . 107 ASN HD21 H 6.99 0.02 2 987 . 107 ASN HD22 H 7.32 0.02 2 988 . 107 ASN HA H 4.90 0.02 1 989 . 107 ASN HB2 H 2.68 0.02 2 990 . 108 GLU H H 8.50 0.02 1 991 . 108 GLU N N 124.3 0.2 1 992 . 108 GLU CA C 56.3 0.2 1 993 . 108 GLU C C 176 0.2 1 994 . 108 GLU CB C 31.3 0.2 1 995 . 108 GLU HB3 H 1.90 0.02 2 996 . 108 GLU HA H 4.11 0.02 1 997 . 108 GLU HB2 H 1.71 0.02 2 998 . 109 SER H H 8.38 0.02 1 999 . 109 SER N N 118.0 0.2 1 1000 . 109 SER CA C 58.7 0.2 1 1001 . 109 SER C C 174.7 0.2 1 1002 . 109 SER CB C 63.6 0.2 1 1003 . 110 LEU H H 8.29 0.02 1 1004 . 110 LEU N N 124.6 0.2 1 1005 . 110 LEU CA C 55.3 0.2 1 1006 . 110 LEU C C 177.6 0.2 1 1007 . 110 LEU CB C 42.2 0.2 1 1008 . 110 LEU HD1 H 0.80 0.02 2 1009 . 110 LEU HD2 H 0.86 0.02 2 1010 . 110 LEU HA H 4.31 0.02 1 1011 . 110 LEU HB2 H 1.60 0.02 2 1012 . 111 GLN H H 8.34 0.02 1 1013 . 111 GLN CA C 56.1 0.2 1 1014 . 111 GLN C C 176 0.2 1 1015 . 111 GLN CB C 29.3 0.2 1 1016 . 112 ASN H H 8.4 0.02 1 1017 . 112 ASN CA C 53.6 0.2 1 1018 . 112 ASN C C 175.8 0.2 1 1019 . 112 ASN CB C 38.8 0.2 1 1020 . 112 ASN HB3 H 2.82 0.02 2 1021 . 112 ASN HB2 H 2.77 0.02 2 1022 . 113 GLY H H 8.34 0.02 1 1023 . 113 GLY CA C 45.6 0.2 1 1024 . 113 GLY C C 174.1 0.2 1 1025 . 114 ARG H H 8.06 0.02 1 1026 . 114 ARG CA C 56.1 0.2 1 1027 . 114 ARG C C 176.5 0.2 1 1028 . 114 ARG CB C 31.0 0.2 1 1029 . 115 LYS H H 8.59 0.02 1 1030 . 115 LYS CA C 56.2 0.2 1 1031 . 115 LYS C C 177 0.2 1 1032 . 115 LYS CB C 33.2 0.2 1 1033 . 116 SER H H 8.51 0.02 1 1034 . 116 SER CA C 58.7 0.2 1 1035 . 116 SER C C 175 0.2 1 1036 . 116 SER CB C 63.6 0.2 1 1037 . 117 THR H H 8.16 0.02 1 1038 . 117 THR CA C 62.0 0.2 1 1039 . 117 THR C C 174.3 0.2 1 1040 . 117 THR CB C 69.3 0.2 1 1041 . 117 THR HA H 4.20 0.02 1 1042 . 117 THR HB H 4.24 0.02 1 1043 . 118 GLU H H 8.2 0.02 1 1044 . 118 GLU CA C 56.3 0.2 1 1045 . 118 GLU C C 175.7 0.2 1 1046 . 118 GLU CB C 30.5 0.2 1 1047 . 119 PHE H H 8.29 0.02 1 1048 . 119 PHE N N 123.1 0.2 1 1049 . 119 PHE CA C 55.9 0.2 1 1050 . 119 PHE CB C 39.0 0.2 1 1051 . 119 PHE HB3 H 3.14 0.02 2 1052 . 119 PHE HD1 H 7.12 0.02 3 1053 . 119 PHE HA H 4.83 0.02 1 1054 . 119 PHE HB2 H 2.91 0.02 2 1055 . 120 PRO CA C 63.2 0.2 1 1056 . 120 PRO C C 176.7 0.2 1 1057 . 120 PRO CB C 32.0 0.2 1 1058 . 120 PRO HA H 4.31 0.02 1 1059 . 121 ARG H H 8.45 0.02 1 1060 . 121 ARG CA C 56.0 0.2 1 1061 . 121 ARG C C 176.3 0.2 1 1062 . 121 ARG CB C 31.2 0.2 1 1063 . 122 LYS H H 8.47 0.02 1 1064 . 122 LYS CA C 56.3 0.2 1 1065 . 122 LYS C C 176.5 0.2 1 1066 . 122 LYS CB C 33.2 0.2 1 1067 . 123 ILE H H 8.31 0.02 1 1068 . 123 ILE N N 124.1 0.2 1 1069 . 123 ILE CA C 61.4 0.2 1 1070 . 123 ILE C C 176.2 0.2 1 1071 . 123 ILE CB C 39.0 0.2 1 1072 . 123 ILE CG2 C 17.7 0.2 1 1073 . 123 ILE HG2 H 0.84 0.02 1 1074 . 123 ILE CG1 C 28.8 0.2 1 1075 . 123 ILE HG12 H 1.25 0.02 2 1076 . 123 ILE HG13 H 1.40 0.02 2 1077 . 123 ILE CD1 C 13.1 0.2 1 1078 . 123 ILE HD1 H 0.7 0.02 1 1079 . 123 ILE HA H 4.05 0.02 1 1080 . 123 ILE HB H 1.79 0.02 1 1081 . 124 ARG H H 8.44 0.02 1 1082 . 124 ARG N N 125.6 0.2 1 1083 . 124 ARG CA C 56.2 0.2 1 1084 . 124 ARG C C 176.2 0.2 1 1085 . 124 ARG CB C 30.9 0.2 1 1086 . 124 ARG HA H 4.24 0.02 1 1087 . 124 ARG HB2 H 1.72 0.02 2 1088 . 125 GLU H H 8.6 0.02 1 1089 . 125 GLU CA C 57.0 0.2 1 1090 . 125 GLU C C 176.3 0.2 1 1091 . 125 GLU CB C 30.5 0.2 1 1092 . 125 GLU HA H 4.15 0.02 1 1093 . 125 GLU HB2 H 1.83 0.02 2 1094 . 126 GLN H H 8.4 0.02 1 1095 . 126 GLN CA C 55.8 0.2 1 1096 . 126 GLN C C 175.6 0.2 1 1097 . 126 GLN CB C 30 0.2 1 1098 . 127 GLU H H 8.49 0.02 1 1099 . 127 GLU N N 125.3 0.2 1 1100 . 127 GLU CA C 54.5 0.2 1 1101 . 127 GLU CB C 29.6 0.2 1 1102 . 127 GLU HA H 4.48 0.02 1 1103 . 127 GLU HB2 H 1.83 0.02 2 stop_ save_