data_5013 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N and 13C Assignments of the Catalytic Domain of E6-associated Protein (E6AP) ; _BMRB_accession_number 5013 _BMRB_flat_file_name bmr5013.str _Entry_type original _Submission_date 2001-05-18 _Accession_date 2001-05-18 _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 Wu Yu-Sung . . 2 Domaille Peter J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 617 "13C chemical shifts" 492 "15N chemical shifts" 118 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2002-01-23 original author . stop_ _Original_release_date 2002-01-23 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N and 13C Assignments of the Catalytic Domain of E6-associated Protein (E6AP) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 21631521 _PubMed_ID 11775746 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wu Yu-Sung . . 2 Domaille Peter J. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 21 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 285 _Page_last 286 _Year 2001 _Details . loop_ _Keyword E6AP 'ubiquitin ligase' stop_ save_ ################################## # Molecular system description # ################################## save_system_E6AP _Saveframe_category molecular_system _Mol_system_name 'E6AP catalytic domain' _Abbreviation_common E6AP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'E6AP catalytic domain' $cat-E6AP stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'Ubiquitin protein ligase' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_cat-E6AP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'E6-associated protein' _Abbreviation_common E6AP _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; ELLICGSRNLDFQALEETTE YDGGYTRDSVLIREFWEIVH SFTDEQKRLFLQFTTGTDRA PVGGLGKLKMIIAKNGPDTE RLPTSHTCFNVLLLPEYSSK EKLKERLLKAITYAKGFGML ; loop_ _Residue_seq_code _Residue_label 1 GLU 2 LEU 3 LEU 4 ILE 5 CYS 6 GLY 7 SER 8 ARG 9 ASN 10 LEU 11 ASP 12 PHE 13 GLN 14 ALA 15 LEU 16 GLU 17 GLU 18 THR 19 THR 20 GLU 21 TYR 22 ASP 23 GLY 24 GLY 25 TYR 26 THR 27 ARG 28 ASP 29 SER 30 VAL 31 LEU 32 ILE 33 ARG 34 GLU 35 PHE 36 TRP 37 GLU 38 ILE 39 VAL 40 HIS 41 SER 42 PHE 43 THR 44 ASP 45 GLU 46 GLN 47 LYS 48 ARG 49 LEU 50 PHE 51 LEU 52 GLN 53 PHE 54 THR 55 THR 56 GLY 57 THR 58 ASP 59 ARG 60 ALA 61 PRO 62 VAL 63 GLY 64 GLY 65 LEU 66 GLY 67 LYS 68 LEU 69 LYS 70 MET 71 ILE 72 ILE 73 ALA 74 LYS 75 ASN 76 GLY 77 PRO 78 ASP 79 THR 80 GLU 81 ARG 82 LEU 83 PRO 84 THR 85 SER 86 HIS 87 THR 88 CYS 89 PHE 90 ASN 91 VAL 92 LEU 93 LEU 94 LEU 95 PRO 96 GLU 97 TYR 98 SER 99 SER 100 LYS 101 GLU 102 LYS 103 LEU 104 LYS 105 GLU 106 ARG 107 LEU 108 LEU 109 LYS 110 ALA 111 ILE 112 THR 113 TYR 114 ALA 115 LYS 116 GLY 117 PHE 118 GLY 119 MET 120 LEU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 1C4Z "Structure Of E6ap: Insights Into Ubiquitination Pathway" 100.00 358 100.00 100.00 5.82e-79 PDB 1D5F "Structure Of An E6ap-Ubch7 Complex: Insights Into The Ubiquitination Pathway" 100.00 358 100.00 100.00 5.82e-79 DBJ BAD69554 "ubiquitin ligase E3A isoform 1 [Homo sapiens]" 100.00 852 100.00 100.00 1.82e-75 DBJ BAD90321 "mKIAA4216 protein [Mus musculus]" 100.00 906 98.33 100.00 5.40e-74 DBJ BAE02425 "unnamed protein product [Macaca fascicularis]" 100.00 813 100.00 100.00 6.71e-76 DBJ BAE37676 "unnamed protein product [Mus musculus]" 100.00 233 98.33 100.00 1.65e-79 DBJ BAF84094 "unnamed protein product [Homo sapiens]" 100.00 852 100.00 100.00 1.61e-75 EMBL CAA66653 "E6-AP [Homo sapiens]" 100.00 852 100.00 100.00 1.78e-75 EMBL CAA66654 "E6-AP [Homo sapiens]" 100.00 852 100.00 100.00 1.78e-75 EMBL CAA66655 "E6-AP [Homo sapiens]" 100.00 852 100.00 100.00 1.78e-75 EMBL CAA66656 "E6-AP [Homo sapiens]" 100.00 852 100.00 100.00 1.78e-75 EMBL CAH92897 "hypothetical protein [Pongo abelii]" 100.00 852 100.00 100.00 1.73e-75 GB AAA35542 "oncogenic protein-associated protein, partial [Homo sapiens]" 100.00 874 100.00 100.00 1.56e-75 GB AAB47756 "E6-AP ubiquitin-protein ligase [Mus musculus]" 100.00 849 98.33 100.00 2.19e-74 GB AAB49301 "E6-associated protein E6-AP/ubiquitin-protein ligase [Homo sapiens]" 100.00 852 100.00 100.00 1.61e-75 GB AAB69154 "E6-AP ubiquitin-protein ligase [Homo sapiens]" 100.00 852 100.00 100.00 1.61e-75 GB AAC83345 "E6-AP ubiquitin protein ligase [Mus spretus]" 100.00 849 98.33 100.00 2.17e-74 PIR A38920 "E6-associated protein - human (fragment)" 100.00 874 100.00 100.00 1.56e-75 REF NP_000453 "ubiquitin-protein ligase E3A isoform 2 [Homo sapiens]" 100.00 875 100.00 100.00 2.73e-75 REF NP_001029134 "ubiquitin-protein ligase E3A isoform 3 [Mus musculus]" 100.00 849 98.33 100.00 1.79e-74 REF NP_001091932 "ubiquitin-protein ligase E3A [Bos taurus]" 100.00 875 99.17 100.00 4.40e-75 REF NP_001126699 "ubiquitin-protein ligase E3A [Pongo abelii]" 100.00 852 100.00 100.00 1.73e-75 REF NP_001178766 "ubiquitin-protein ligase E3A [Rattus norvegicus]" 100.00 868 98.33 100.00 1.78e-74 SP Q05086 "RecName: Full=Ubiquitin-protein ligase E3A; AltName: Full=E6AP ubiquitin-protein ligase; AltName: Full=Human papillomavirus E6-" 100.00 875 100.00 100.00 2.73e-75 TPG DAA17742 "TPA: ubiquitin protein ligase E3A [Bos taurus]" 100.00 875 99.17 100.00 4.40e-75 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $cat-E6AP human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name _Details $cat-E6AP 'recombinant technology' 'E coli.' . . . plasmid pGEX-4T 'The protein contains cloning artifacts: Gly and Ser at the N-terminal.' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $cat-E6AP 0.9 mM '[U-15N; U-13C]' stop_ save_ ############################ # Computer software used # ############################ save_ANSIG _Saveframe_category software _Name ANSIG _Version 3.3 loop_ _Task 'peak picking' 'peak assignments' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _Sample_label . save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCACONH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HBCB/HACACONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name HBCB/HACACONH _Sample_label . save_ save_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HBCB/HACACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.5 0.2 n/a temperature 298 0.1 K 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 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'E6AP catalytic domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 LEU N N 122.58 0.01 1 2 . 2 LEU H H 8.211 0.004 1 3 . 3 LEU N N 123.09 0.00 1 4 . 3 LEU H H 8.155 0.001 1 5 . 3 LEU CA C 54.97 0.00 1 6 . 3 LEU CB C 42.19 0.00 1 7 . 4 ILE N N 121.67 0.01 1 8 . 4 ILE H H 8.106 0.003 1 9 . 4 ILE CA C 61.05 0.05 1 10 . 4 ILE HA H 4.239 0.008 1 11 . 4 ILE C C 176.19 0.00 1 12 . 4 ILE CB C 38.56 0.01 1 13 . 4 ILE HB H 1.945 0.006 1 14 . 4 ILE CG1 C 27.22 0.00 1 15 . 4 ILE HG12 H 1.528 0.002 2 16 . 4 ILE HG13 H 1.240 0.008 2 17 . 4 ILE CG2 C 17.52 0.06 1 18 . 4 ILE HG2 H 0.956 0.010 1 19 . 4 ILE CD1 C 12.80 0.03 1 20 . 4 ILE HD1 H 0.909 0.014 1 21 . 5 CYS N N 123.43 0.07 1 22 . 5 CYS H H 8.431 0.004 1 23 . 5 CYS CA C 58.77 0.05 1 24 . 5 CYS HA H 4.543 0.015 1 25 . 5 CYS CB C 28.09 0.08 1 26 . 5 CYS HB2 H 2.987 0.014 1 27 . 8 ARG CA C 56.10 0.00 1 28 . 8 ARG HA H 4.491 0.000 1 29 . 8 ARG C C 176.08 0.00 1 30 . 8 ARG CB C 30.56 0.00 1 31 . 8 ARG HB2 H 1.993 0.000 2 32 . 8 ARG HB3 H 1.831 0.000 2 33 . 8 ARG CG C 27.19 0.00 1 34 . 8 ARG CD C 43.42 0.00 1 35 . 8 ARG HG2 H 1.720 0.000 1 36 . 8 ARG HD2 H 3.277 0.000 1 37 . 9 ASN N N 119.43 0.03 1 38 . 9 ASN H H 8.567 0.000 1 39 . 9 ASN CA C 53.60 0.04 1 40 . 9 ASN HA H 4.734 0.007 1 41 . 9 ASN C C 175.04 0.00 1 42 . 9 ASN CB C 39.00 0.04 1 43 . 9 ASN HB2 H 2.908 0.015 2 44 . 9 ASN HB3 H 2.827 0.009 2 45 . 9 ASN ND2 N 112.93 0.06 1 46 . 9 ASN HD21 H 7.686 0.003 2 47 . 9 ASN HD22 H 7.010 0.003 2 48 . 10 LEU N N 123.13 0.00 1 49 . 10 LEU H H 8.604 0.003 1 50 . 10 LEU CA C 54.25 0.09 1 51 . 10 LEU HA H 4.496 0.012 1 52 . 10 LEU C C 175.35 0.00 1 53 . 10 LEU CB C 42.49 0.03 1 54 . 10 LEU HB2 H 1.889 0.003 2 55 . 10 LEU HB3 H 1.529 0.008 2 56 . 10 LEU CG C 26.99 0.00 1 57 . 10 LEU HG H 1.768 0.003 1 58 . 10 LEU CD1 C 25.79 0.01 2 59 . 10 LEU HD1 H 1.082 0.001 2 60 . 10 LEU CD2 C 24.03 0.00 2 61 . 10 LEU HD2 H 1.010 0.001 2 62 . 11 ASP N N 122.50 0.01 1 63 . 11 ASP H H 8.223 0.004 1 64 . 11 ASP CA C 53.26 0.07 1 65 . 11 ASP HA H 4.898 0.006 1 66 . 11 ASP C C 176.44 0.00 1 67 . 11 ASP CB C 40.92 0.06 1 68 . 11 ASP HB2 H 3.121 0.004 2 69 . 11 ASP HB3 H 2.696 0.013 2 70 . 12 PHE N N 126.00 0.00 1 71 . 12 PHE H H 9.488 0.004 1 72 . 12 PHE CA C 58.43 0.04 1 73 . 12 PHE HA H 4.666 0.015 1 74 . 12 PHE C C 178.21 0.00 1 75 . 12 PHE CB C 38.19 0.09 1 76 . 12 PHE HB2 H 3.592 0.008 2 77 . 12 PHE HB3 H 3.472 0.007 2 78 . 12 PHE CD1 C 130.51 0.17 1 79 . 12 PHE HD1 H 7.201 0.014 1 80 . 12 PHE CE1 C 129.09 0.04 1 81 . 12 PHE HE1 H 7.608 0.006 1 82 . 13 GLN N N 124.62 0.02 1 83 . 13 GLN H H 8.893 0.007 1 84 . 13 GLN CA C 60.14 0.01 1 85 . 13 GLN HA H 3.946 0.002 1 86 . 13 GLN C C 178.08 0.00 1 87 . 13 GLN CB C 27.51 0.07 1 88 . 13 GLN HB2 H 2.296 0.002 2 89 . 13 GLN HB3 H 2.177 0.008 2 90 . 13 GLN CG C 33.94 0.13 1 91 . 13 GLN HG2 H 2.397 0.002 1 92 . 13 GLN HG3 H 2.283 0.001 1 93 . 13 GLN NE2 N 112.03 0.03 1 94 . 13 GLN HE21 H 7.532 0.009 2 95 . 13 GLN HE22 H 6.577 0.007 2 96 . 14 ALA N N 121.49 0.03 1 97 . 14 ALA H H 7.815 0.003 1 98 . 14 ALA CA C 54.28 0.06 1 99 . 14 ALA HA H 4.133 0.017 1 100 . 14 ALA C C 179.87 0.00 1 101 . 14 ALA CB C 18.15 0.04 1 102 . 14 ALA HB H 1.425 0.010 1 103 . 15 LEU N N 116.48 0.04 1 104 . 15 LEU H H 6.919 0.007 1 105 . 15 LEU CA C 56.81 0.06 1 106 . 15 LEU HA H 4.059 0.015 1 107 . 15 LEU C C 179.23 0.00 1 108 . 15 LEU CB C 42.73 0.04 1 109 . 15 LEU HB2 H 2.067 0.005 2 110 . 15 LEU HB3 H 1.275 0.017 2 111 . 15 LEU CG C 27.01 0.00 1 112 . 15 LEU HG H 1.736 0.002 1 113 . 15 LEU CD1 C 24.40 0.01 2 114 . 15 LEU HD1 H 1.048 0.001 2 115 . 15 LEU CD2 C 25.83 0.11 2 116 . 15 LEU HD2 H 0.721 0.013 2 117 . 16 GLU N N 121.88 0.04 1 118 . 16 GLU H H 7.926 0.006 1 119 . 16 GLU CA C 59.95 0.07 1 120 . 16 GLU HA H 3.096 0.011 1 121 . 16 GLU C C 179.13 0.00 1 122 . 16 GLU CB C 27.81 0.05 1 123 . 16 GLU CG C 34.25 0.07 1 124 . 16 GLU HG2 H 1.394 0.014 2 125 . 16 GLU HG3 H 0.454 0.018 2 126 . 16 GLU HB2 H 0.760 0.009 1 127 . 17 GLU N N 116.49 0.03 1 128 . 17 GLU H H 7.679 0.003 1 129 . 17 GLU CA C 58.82 0.02 1 130 . 17 GLU HA H 4.057 0.005 1 131 . 17 GLU C C 177.87 0.00 1 132 . 17 GLU CB C 29.81 0.02 1 133 . 17 GLU CG C 36.18 0.06 1 134 . 17 GLU HG2 H 2.435 0.000 1 135 . 17 GLU HG3 H 2.325 0.001 1 136 . 17 GLU HB2 H 2.150 0.003 1 137 . 18 THR N N 106.27 0.02 1 138 . 18 THR H H 7.299 0.009 1 139 . 18 THR CA C 60.82 0.05 1 140 . 18 THR HA H 4.586 0.012 1 141 . 18 THR C C 174.87 0.00 1 142 . 18 THR CB C 69.92 0.03 1 143 . 18 THR HB H 4.567 0.010 1 144 . 18 THR CG2 C 21.84 0.01 1 145 . 18 THR HG2 H 1.375 0.010 1 146 . 19 THR N N 122.65 0.03 1 147 . 19 THR H H 7.328 0.006 1 148 . 19 THR CA C 65.44 0.05 1 149 . 19 THR HA H 4.614 0.010 1 150 . 19 THR C C 173.18 0.00 1 151 . 19 THR CB C 69.64 0.06 1 152 . 19 THR HB H 4.233 0.008 1 153 . 19 THR CG2 C 22.44 0.09 1 154 . 19 THR HG2 H 1.059 0.014 1 155 . 20 GLU N N 126.17 0.02 1 156 . 20 GLU H H 8.395 0.004 1 157 . 20 GLU CA C 54.17 0.05 1 158 . 20 GLU HA H 4.613 0.011 1 159 . 20 GLU C C 173.57 0.00 1 160 . 20 GLU CB C 32.70 0.04 1 161 . 20 GLU HB2 H 2.190 0.016 2 162 . 20 GLU HB3 H 1.768 0.008 2 163 . 20 GLU CG C 36.49 0.04 1 164 . 20 GLU HG2 H 2.392 0.000 2 165 . 20 GLU HG3 H 2.295 0.001 2 166 . 21 TYR N N 115.99 0.05 1 167 . 21 TYR H H 8.323 0.003 1 168 . 21 TYR CA C 57.50 0.08 1 169 . 21 TYR HA H 5.564 0.010 1 170 . 21 TYR C C 175.49 0.00 1 171 . 21 TYR CB C 43.19 0.09 1 172 . 21 TYR HB2 H 3.028 0.014 2 173 . 21 TYR HB3 H 2.634 0.012 2 174 . 21 TYR CD1 C 132.76 0.10 1 175 . 21 TYR HD1 H 7.174 0.007 1 176 . 21 TYR CE1 C 118.31 0.13 1 177 . 21 TYR HE1 H 6.749 0.017 1 178 . 22 ASP N N 120.43 0.04 1 179 . 22 ASP H H 8.884 0.005 1 180 . 22 ASP CA C 52.51 0.05 1 181 . 22 ASP HA H 5.459 0.015 1 182 . 22 ASP C C 178.51 0.00 1 183 . 22 ASP CB C 45.88 0.07 1 184 . 22 ASP HB2 H 2.508 0.012 1 185 . 23 GLY N N 109.27 0.02 1 186 . 23 GLY H H 9.151 0.009 1 187 . 23 GLY CA C 46.58 0.07 1 188 . 23 GLY HA2 H 4.052 0.002 2 189 . 23 GLY HA3 H 3.949 0.007 2 190 . 23 GLY C C 173.61 0.00 1 191 . 24 GLY N N 107.41 0.00 1 192 . 24 GLY H H 8.960 0.001 1 193 . 24 GLY CA C 44.10 0.09 1 194 . 24 GLY HA2 H 4.548 0.011 2 195 . 24 GLY HA3 H 3.568 0.017 2 196 . 24 GLY C C 175.92 0.00 1 197 . 25 TYR N N 118.15 0.02 1 198 . 25 TYR H H 6.572 0.007 1 199 . 25 TYR CA C 55.19 0.07 1 200 . 25 TYR HA H 5.149 0.016 1 201 . 25 TYR C C 175.50 0.00 1 202 . 25 TYR CB C 39.57 0.05 1 203 . 25 TYR HB2 H 3.144 0.018 1 204 . 25 TYR CD1 C 131.24 0.11 1 205 . 25 TYR HD1 H 7.200 0.011 1 206 . 25 TYR CE1 C 118.15 0.06 1 207 . 25 TYR HE1 H 6.779 0.007 1 208 . 26 THR N N 109.60 0.03 1 209 . 26 THR H H 8.445 0.003 1 210 . 26 THR CA C 59.59 0.16 1 211 . 26 THR HA H 4.473 0.009 1 212 . 26 THR C C 174.20 0.00 1 213 . 26 THR CB C 72.90 0.05 1 214 . 26 THR HB H 4.511 0.014 1 215 . 26 THR CG2 C 21.28 0.07 1 216 . 26 THR HG2 H 1.227 0.007 1 217 . 27 ARG N N 118.14 0.02 1 218 . 27 ARG H H 8.694 0.003 1 219 . 27 ARG CA C 58.01 0.06 1 220 . 27 ARG HA H 3.553 0.014 1 221 . 27 ARG C C 175.19 0.00 1 222 . 27 ARG CB C 29.90 0.05 1 223 . 27 ARG HB2 H 1.965 0.007 2 224 . 27 ARG HB3 H 1.881 0.008 2 225 . 27 ARG CG C 26.80 0.00 1 226 . 27 ARG CD C 43.50 0.00 1 227 . 27 ARG HG2 H 1.746 0.000 1 228 . 27 ARG HD2 H 3.351 0.001 1 229 . 28 ASP N N 113.24 0.03 1 230 . 28 ASP H H 7.706 0.004 1 231 . 28 ASP CA C 53.51 0.02 1 232 . 28 ASP HA H 4.711 0.004 1 233 . 28 ASP C C 176.55 0.00 1 234 . 28 ASP CB C 41.96 0.02 1 235 . 28 ASP HB2 H 2.791 0.017 2 236 . 28 ASP HB3 H 2.393 0.019 2 237 . 29 SER N N 120.32 0.04 1 238 . 29 SER H H 7.698 0.005 1 239 . 29 SER CA C 60.27 0.07 1 240 . 29 SER HA H 4.361 0.016 1 241 . 29 SER C C 174.88 0.00 1 242 . 29 SER CB C 63.15 0.08 1 243 . 29 SER HB2 H 4.293 0.015 2 244 . 29 SER HB3 H 3.926 0.022 2 245 . 30 VAL N N 128.24 0.02 1 246 . 30 VAL H H 8.892 0.004 1 247 . 30 VAL CA C 67.31 0.04 1 248 . 30 VAL HA H 3.542 0.015 1 249 . 30 VAL C C 177.62 0.00 1 250 . 30 VAL CB C 31.38 0.02 1 251 . 30 VAL HB H 2.072 0.008 1 252 . 30 VAL CG1 C 22.61 0.06 2 253 . 30 VAL HG1 H 1.153 0.015 2 254 . 30 VAL CG2 C 20.75 0.03 2 255 . 30 VAL HG2 H 0.973 0.015 2 256 . 31 LEU N N 118.14 0.03 1 257 . 31 LEU H H 8.426 0.002 1 258 . 31 LEU CA C 56.67 0.03 1 259 . 31 LEU HA H 4.258 0.012 1 260 . 31 LEU C C 179.02 0.00 1 261 . 31 LEU CB C 42.19 0.03 1 262 . 31 LEU HB2 H 1.861 0.012 2 263 . 31 LEU HB3 H 1.419 0.011 2 264 . 31 LEU CG C 27.38 0.04 1 265 . 31 LEU HG H 2.015 0.004 1 266 . 31 LEU CD1 C 26.37 0.02 2 267 . 31 LEU HD1 H 1.171 0.005 2 268 . 31 LEU CD2 C 24.95 0.07 2 269 . 31 LEU HD2 H 1.069 0.014 2 270 . 32 ILE N N 115.66 0.05 1 271 . 32 ILE H H 6.355 0.011 1 272 . 32 ILE CA C 59.54 0.07 1 273 . 32 ILE HA H 3.697 0.015 1 274 . 32 ILE C C 177.78 0.00 1 275 . 32 ILE CB C 34.69 0.05 1 276 . 32 ILE HB H 2.254 0.015 1 277 . 32 ILE CG2 C 19.22 0.07 1 278 . 32 ILE HG2 H 1.009 0.012 1 279 . 32 ILE CD1 C 7.13 0.05 1 280 . 32 ILE HD1 H 0.042 0.009 1 281 . 32 ILE HG12 H 2.307 0.000 1 282 . 33 ARG N N 120.27 0.04 1 283 . 33 ARG H H 8.185 0.004 1 284 . 33 ARG CA C 59.40 0.00 1 285 . 33 ARG HA H 4.289 0.000 1 286 . 33 ARG C C 180.98 0.00 1 287 . 33 ARG CB C 29.80 0.07 1 288 . 33 ARG HB2 H 2.182 0.002 2 289 . 33 ARG HB3 H 2.054 0.010 2 290 . 33 ARG CG C 26.66 0.03 1 291 . 33 ARG HG2 H 1.892 0.011 2 292 . 33 ARG HG3 H 1.747 0.002 2 293 . 33 ARG CD C 43.77 0.04 1 294 . 33 ARG HD2 H 3.360 0.002 1 295 . 34 GLU N N 119.55 0.04 1 296 . 34 GLU H H 8.331 0.005 1 297 . 34 GLU CA C 59.39 0.01 1 298 . 34 GLU HA H 4.032 0.004 1 299 . 34 GLU C C 177.96 0.00 1 300 . 34 GLU CB C 28.82 0.05 1 301 . 34 GLU HB2 H 2.440 0.019 2 302 . 34 GLU HB3 H 1.679 0.007 2 303 . 34 GLU CG C 36.89 0.09 1 304 . 34 GLU HG2 H 2.683 0.007 2 305 . 34 GLU HG3 H 2.186 0.016 2 306 . 35 PHE N N 120.96 0.05 1 307 . 35 PHE H H 8.722 0.005 1 308 . 35 PHE CA C 62.12 0.07 1 309 . 35 PHE HA H 3.708 0.010 1 310 . 35 PHE C C 176.12 0.00 1 311 . 35 PHE CB C 38.05 0.05 1 312 . 35 PHE HB2 H 3.427 0.015 2 313 . 35 PHE HB3 H 2.828 0.016 2 314 . 35 PHE CD1 C 130.62 0.20 1 315 . 35 PHE HD1 H 5.987 0.007 1 316 . 35 PHE CE1 C 130.61 0.00 1 317 . 35 PHE HE1 H 5.882 0.001 1 318 . 36 TRP N N 119.28 0.04 1 319 . 36 TRP H H 8.270 0.006 1 320 . 36 TRP CA C 60.18 0.04 1 321 . 36 TRP HA H 4.098 0.018 1 322 . 36 TRP C C 177.33 0.00 1 323 . 36 TRP CB C 28.62 0.12 1 324 . 36 TRP HB2 H 3.360 0.013 2 325 . 36 TRP HB3 H 3.116 0.012 2 326 . 36 TRP CD1 C 129.01 0.10 1 327 . 36 TRP HD1 H 7.384 0.011 1 328 . 36 TRP NE1 N 125.72 0.02 1 329 . 36 TRP HE1 H 10.004 0.009 1 330 . 36 TRP CE3 C 121.33 0.10 1 331 . 36 TRP HE3 H 6.855 0.006 1 332 . 36 TRP CZ2 C 115.06 0.11 1 333 . 36 TRP HZ2 H 7.669 0.010 1 334 . 36 TRP CZ3 C 120.50 0.21 1 335 . 36 TRP HZ3 H 6.735 0.007 1 336 . 36 TRP CH2 C 123.26 0.12 1 337 . 36 TRP HH2 H 6.978 0.005 1 338 . 37 GLU N N 118.31 0.03 1 339 . 37 GLU H H 7.722 0.004 1 340 . 37 GLU CA C 59.76 0.24 1 341 . 37 GLU HA H 4.048 0.007 1 342 . 37 GLU C C 180.32 0.00 1 343 . 37 GLU CB C 29.28 0.03 1 344 . 37 GLU HB2 H 2.302 0.007 2 345 . 37 GLU HB3 H 2.088 0.001 2 346 . 37 GLU HG2 H 2.597 0.000 2 347 . 38 ILE N N 118.85 0.06 1 348 . 38 ILE H H 7.804 0.005 1 349 . 38 ILE CA C 64.05 0.05 1 350 . 38 ILE HA H 3.432 0.014 1 351 . 38 ILE C C 178.54 0.00 1 352 . 38 ILE CB C 37.76 0.09 1 353 . 38 ILE HB H 1.709 0.013 1 354 . 38 ILE CG1 C 28.74 0.02 1 355 . 38 ILE HG12 H 1.656 0.009 2 356 . 38 ILE HG13 H 0.893 0.025 2 357 . 38 ILE CG2 C 17.97 0.06 1 358 . 38 ILE HG2 H 0.423 0.013 1 359 . 38 ILE CD1 C 14.63 0.02 1 360 . 38 ILE HD1 H 0.809 0.008 1 361 . 39 VAL N N 119.08 0.03 1 362 . 39 VAL H H 7.926 0.004 1 363 . 39 VAL CA C 65.01 0.05 1 364 . 39 VAL HA H 1.894 0.014 1 365 . 39 VAL C C 178.79 0.00 1 366 . 39 VAL CB C 30.46 0.05 1 367 . 39 VAL HB H 1.046 0.011 1 368 . 39 VAL CG1 C 21.16 0.06 2 369 . 39 VAL HG1 H 0.067 0.012 2 370 . 39 VAL CG2 C 21.42 0.09 2 371 . 39 VAL HG2 H 0.468 0.008 2 372 . 40 HIS N N 116.39 0.04 1 373 . 40 HIS H H 8.457 0.004 1 374 . 40 HIS CA C 59.46 0.09 1 375 . 40 HIS HA H 4.639 0.009 1 376 . 40 HIS C C 178.15 0.00 1 377 . 40 HIS CB C 30.41 0.06 1 378 . 40 HIS HB2 H 3.175 0.003 2 379 . 40 HIS HB3 H 3.102 0.014 2 380 . 40 HIS CD2 C 119.93 0.12 1 381 . 40 HIS HD2 H 7.232 0.008 1 382 . 40 HIS CE1 C 136.49 0.11 1 383 . 40 HIS HE1 H 7.308 0.007 1 384 . 41 SER N N 113.52 0.04 1 385 . 41 SER H H 7.376 0.003 1 386 . 41 SER CA C 58.83 0.11 1 387 . 41 SER HA H 4.612 0.011 1 388 . 41 SER C C 174.34 0.00 1 389 . 41 SER CB C 64.27 0.03 1 390 . 41 SER HB2 H 4.126 0.007 2 391 . 41 SER HB3 H 4.040 0.007 2 392 . 42 PHE N N 123.36 0.04 1 393 . 42 PHE H H 7.415 0.007 1 394 . 42 PHE CA C 53.43 0.05 1 395 . 42 PHE HA H 5.000 0.012 1 396 . 42 PHE C C 177.85 0.00 1 397 . 42 PHE CB C 38.92 0.04 1 398 . 42 PHE HB2 H 3.549 0.017 2 399 . 42 PHE HB3 H 3.478 0.017 2 400 . 42 PHE CZ C 126.93 0.02 1 401 . 42 PHE HZ H 6.654 0.003 1 402 . 42 PHE CD1 C 129.46 0.09 1 403 . 42 PHE HD1 H 6.824 0.003 1 404 . 42 PHE CE1 C 130.40 0.05 1 405 . 42 PHE HE1 H 6.803 0.004 1 406 . 43 THR N N 111.40 0.04 1 407 . 43 THR H H 8.577 0.004 1 408 . 43 THR CA C 60.77 0.08 1 409 . 43 THR HA H 4.439 0.016 1 410 . 43 THR C C 175.35 0.00 1 411 . 43 THR CB C 70.81 0.06 1 412 . 43 THR HB H 4.805 0.017 1 413 . 43 THR CG2 C 21.69 0.10 1 414 . 43 THR HG2 H 1.380 0.013 1 415 . 44 ASP N N 121.88 0.03 1 416 . 44 ASP H H 9.127 0.007 1 417 . 44 ASP CA C 58.46 0.04 1 418 . 44 ASP HA H 4.345 0.013 1 419 . 44 ASP C C 178.25 0.00 1 420 . 44 ASP CB C 40.03 0.06 1 421 . 44 ASP HB2 H 2.736 0.013 1 422 . 45 GLU N N 118.58 0.03 1 423 . 45 GLU H H 8.470 0.004 1 424 . 45 GLU CA C 59.61 0.25 1 425 . 45 GLU HA H 4.039 0.000 1 426 . 45 GLU C C 178.91 0.00 1 427 . 45 GLU CB C 29.53 0.00 1 428 . 46 GLN N N 118.78 0.03 1 429 . 46 GLN H H 7.565 0.005 1 430 . 46 GLN CA C 58.68 0.04 1 431 . 46 GLN HA H 3.625 0.014 1 432 . 46 GLN C C 178.19 0.00 1 433 . 46 GLN CB C 26.10 0.03 1 434 . 46 GLN HB2 H 2.175 0.009 2 435 . 46 GLN HB3 H 0.726 0.011 2 436 . 46 GLN CG C 34.09 0.06 1 437 . 46 GLN HG2 H 2.278 0.019 2 438 . 46 GLN HG3 H 1.867 0.016 2 439 . 46 GLN NE2 N 109.69 0.05 1 440 . 46 GLN HE21 H 7.236 0.006 2 441 . 46 GLN HE22 H 6.615 0.007 2 442 . 47 LYS N N 119.69 0.05 1 443 . 47 LYS H H 8.863 0.006 1 444 . 47 LYS CA C 61.57 0.08 1 445 . 47 LYS HA H 3.931 0.011 1 446 . 47 LYS C C 178.91 0.00 1 447 . 47 LYS CB C 33.10 0.04 1 448 . 47 LYS CG C 28.56 0.07 1 449 . 47 LYS HG2 H 1.689 0.000 2 450 . 47 LYS HG3 H 0.451 0.017 2 451 . 47 LYS CD C 29.97 0.05 1 452 . 47 LYS HD2 H 1.418 0.006 2 453 . 47 LYS HD3 H 0.939 0.011 2 454 . 47 LYS CE C 42.09 0.10 1 455 . 47 LYS HE2 H 2.903 0.001 2 456 . 47 LYS HE3 H 2.672 0.004 2 457 . 48 ARG N N 119.26 0.05 1 458 . 48 ARG H H 8.076 0.008 1 459 . 48 ARG CA C 60.83 0.06 1 460 . 48 ARG HA H 4.076 0.012 1 461 . 48 ARG C C 179.04 0.00 1 462 . 48 ARG CB C 30.21 0.03 1 463 . 48 ARG CD C 43.47 0.00 1 464 . 48 ARG HB2 H 2.132 0.000 1 465 . 48 ARG HG2 H 1.745 0.000 1 466 . 48 ARG HD2 H 3.342 0.002 1 467 . 49 LEU N N 119.57 0.03 1 468 . 49 LEU H H 8.212 0.004 1 469 . 49 LEU CA C 57.75 0.05 1 470 . 49 LEU HA H 4.175 0.014 1 471 . 49 LEU C C 180.47 0.00 1 472 . 49 LEU CB C 41.20 0.03 1 473 . 49 LEU HB2 H 1.904 0.001 2 474 . 49 LEU HB3 H 1.467 0.015 2 475 . 49 LEU CD1 C 22.14 0.04 2 476 . 49 LEU HD1 H 0.945 0.016 2 477 . 49 LEU CD2 C 25.73 0.07 2 478 . 49 LEU HD2 H 0.805 0.010 2 479 . 50 PHE N N 122.43 0.05 1 480 . 50 PHE H H 9.048 0.005 1 481 . 50 PHE CA C 62.38 0.05 1 482 . 50 PHE HA H 4.262 0.012 1 483 . 50 PHE C C 177.84 0.00 1 484 . 50 PHE CB C 39.05 0.10 1 485 . 50 PHE HB2 H 3.806 0.014 2 486 . 50 PHE HB3 H 3.393 0.014 2 487 . 50 PHE CD1 C 131.00 0.12 1 488 . 50 PHE HD1 H 7.324 0.012 1 489 . 50 PHE CE1 C 128.52 0.02 1 490 . 50 PHE HE1 H 6.606 0.007 1 491 . 51 LEU N N 122.91 0.03 1 492 . 51 LEU H H 8.704 0.005 1 493 . 51 LEU CA C 58.13 0.06 1 494 . 51 LEU HA H 4.032 0.017 1 495 . 51 LEU C C 180.43 0.00 1 496 . 51 LEU CB C 41.42 0.03 1 497 . 51 LEU HB2 H 2.133 0.013 2 498 . 51 LEU HB3 H 1.970 0.014 2 499 . 51 LEU CG C 26.90 0.04 1 500 . 51 LEU HG H 2.295 0.009 1 501 . 51 LEU CD1 C 26.03 0.03 2 502 . 51 LEU HD1 H 1.033 0.017 2 503 . 51 LEU CD2 C 22.92 0.06 2 504 . 51 LEU HD2 H 0.883 0.008 2 505 . 52 GLN N N 123.42 0.02 1 506 . 52 GLN H H 8.707 0.003 1 507 . 52 GLN CA C 59.54 0.01 1 508 . 52 GLN HA H 3.708 0.002 1 509 . 52 GLN C C 178.52 0.00 1 510 . 52 GLN CB C 28.60 0.06 1 511 . 52 GLN CG C 34.10 0.06 1 512 . 52 GLN HG2 H 2.310 0.002 2 513 . 52 GLN HG3 H 2.228 0.012 2 514 . 52 GLN NE2 N 110.40 0.04 1 515 . 52 GLN HE21 H 7.430 0.005 2 516 . 52 GLN HE22 H 6.612 0.010 2 517 . 52 GLN HB2 H 2.135 0.018 1 518 . 53 PHE N N 120.28 0.04 1 519 . 53 PHE H H 8.431 0.006 1 520 . 53 PHE CA C 60.76 0.12 1 521 . 53 PHE HA H 4.249 0.014 1 522 . 53 PHE C C 176.13 0.00 1 523 . 53 PHE CB C 40.34 0.10 1 524 . 53 PHE HB2 H 3.453 0.016 2 525 . 53 PHE HB3 H 3.076 0.015 2 526 . 53 PHE CD1 C 131.89 0.11 1 527 . 53 PHE HD1 H 7.103 0.009 1 528 . 54 THR N N 109.75 0.04 1 529 . 54 THR H H 7.803 0.006 1 530 . 54 THR CA C 65.10 0.04 1 531 . 54 THR HA H 3.710 0.019 1 532 . 54 THR C C 174.62 0.00 1 533 . 54 THR CB C 69.76 0.09 1 534 . 54 THR HB H 3.673 0.018 1 535 . 54 THR CG2 C 23.13 0.02 1 536 . 54 THR HG2 H 0.926 0.007 1 537 . 55 THR N N 106.76 0.03 1 538 . 55 THR H H 8.161 0.006 1 539 . 55 THR CA C 61.25 0.04 1 540 . 55 THR HA H 5.136 0.013 1 541 . 55 THR C C 176.59 0.00 1 542 . 55 THR CB C 72.14 0.05 1 543 . 55 THR HB H 4.337 0.012 1 544 . 55 THR CG2 C 20.99 0.09 1 545 . 55 THR HG2 H 1.137 0.013 1 546 . 56 GLY N N 110.80 0.05 1 547 . 56 GLY H H 7.834 0.005 1 548 . 56 GLY CA C 45.29 0.07 1 549 . 56 GLY HA2 H 4.388 0.016 2 550 . 56 GLY HA3 H 3.857 0.015 2 551 . 56 GLY C C 173.03 0.00 1 552 . 57 THR N N 114.67 0.04 1 553 . 57 THR H H 7.797 0.007 1 554 . 57 THR CA C 59.70 0.13 1 555 . 57 THR HA H 4.793 0.015 1 556 . 57 THR C C 170.38 0.00 1 557 . 57 THR CB C 69.77 0.10 1 558 . 57 THR HB H 4.166 0.014 1 559 . 57 THR CG2 C 19.86 0.06 1 560 . 57 THR HG2 H 1.170 0.014 1 561 . 58 ASP N N 120.82 0.05 1 562 . 58 ASP H H 8.050 0.004 1 563 . 58 ASP CA C 52.86 0.04 1 564 . 58 ASP HA H 4.658 0.013 1 565 . 58 ASP C C 174.90 0.00 1 566 . 58 ASP CB C 40.86 0.06 1 567 . 58 ASP HB2 H 3.060 0.019 2 568 . 58 ASP HB3 H 2.595 0.018 2 569 . 59 ARG N N 117.70 0.04 1 570 . 59 ARG H H 7.646 0.004 1 571 . 59 ARG CA C 54.46 0.08 1 572 . 59 ARG HA H 4.454 0.018 1 573 . 59 ARG C C 175.43 0.00 1 574 . 59 ARG CB C 31.85 0.02 1 575 . 59 ARG HB2 H 1.842 0.010 2 576 . 59 ARG HB3 H 1.746 0.014 2 577 . 59 ARG CG C 26.38 0.06 1 578 . 59 ARG CD C 43.29 0.07 1 579 . 59 ARG HG2 H 1.658 0.017 1 580 . 59 ARG HD2 H 3.208 0.012 1 581 . 60 ALA N N 125.35 0.03 1 582 . 60 ALA H H 8.610 0.002 1 583 . 60 ALA CA C 49.98 0.05 1 584 . 60 ALA HA H 4.387 0.003 1 585 . 60 ALA CB C 18.25 0.03 1 586 . 60 ALA HB H 1.362 0.013 1 587 . 61 PRO CA C 62.01 0.02 1 588 . 61 PRO HA H 4.602 0.009 1 589 . 61 PRO C C 177.09 0.00 1 590 . 61 PRO CB C 32.01 0.03 1 591 . 61 PRO HB2 H 2.311 0.013 2 592 . 61 PRO HB3 H 1.939 0.006 2 593 . 61 PRO CG C 27.15 0.01 1 594 . 61 PRO HG2 H 1.912 0.010 2 595 . 61 PRO HG3 H 1.837 0.005 2 596 . 61 PRO CD C 49.88 0.02 1 597 . 61 PRO HD2 H 3.759 0.010 2 598 . 61 PRO HD3 H 3.218 0.013 2 599 . 62 VAL N N 123.01 0.03 1 600 . 62 VAL H H 8.541 0.006 1 601 . 62 VAL CA C 65.26 0.04 1 602 . 62 VAL HA H 3.790 0.017 1 603 . 62 VAL C C 177.36 0.00 1 604 . 62 VAL CB C 31.27 0.05 1 605 . 62 VAL HB H 2.012 0.012 1 606 . 62 VAL CG1 C 21.71 0.03 2 607 . 62 VAL HG1 H 1.089 0.017 2 608 . 62 VAL CG2 C 20.91 0.07 2 609 . 62 VAL HG2 H 0.994 0.015 2 610 . 63 GLY N N 113.98 0.01 1 611 . 63 GLY H H 8.779 0.004 1 612 . 63 GLY CA C 44.82 0.10 1 613 . 63 GLY HA2 H 4.229 0.009 2 614 . 63 GLY HA3 H 3.841 0.008 2 615 . 63 GLY C C 175.31 0.00 1 616 . 64 GLY N N 108.67 0.04 1 617 . 64 GLY H H 8.216 0.007 1 618 . 64 GLY CA C 44.46 0.07 1 619 . 64 GLY HA2 H 4.558 0.011 2 620 . 64 GLY HA3 H 3.865 0.007 2 621 . 64 GLY C C 174.25 0.00 1 622 . 65 LEU N N 116.70 0.03 1 623 . 65 LEU H H 8.880 0.007 1 624 . 65 LEU CA C 57.18 0.04 1 625 . 65 LEU HA H 3.926 0.008 1 626 . 65 LEU C C 177.98 0.00 1 627 . 65 LEU CB C 41.59 0.03 1 628 . 65 LEU HB2 H 1.849 0.004 2 629 . 65 LEU HB3 H 1.546 0.009 2 630 . 65 LEU CG C 27.34 0.00 1 631 . 65 LEU HG H 1.953 0.004 1 632 . 65 LEU CD1 C 24.26 0.00 1 633 . 65 LEU HD1 H 0.935 0.004 1 634 . 66 GLY N N 104.84 0.04 1 635 . 66 GLY H H 8.796 0.007 1 636 . 66 GLY CA C 45.98 0.06 1 637 . 66 GLY HA2 H 4.038 0.015 2 638 . 66 GLY HA3 H 3.761 0.014 2 639 . 66 GLY C C 175.91 0.00 1 640 . 67 LYS N N 116.94 0.05 1 641 . 67 LYS H H 7.604 0.005 1 642 . 67 LYS CA C 54.72 0.05 1 643 . 67 LYS HA H 4.306 0.013 1 644 . 67 LYS C C 177.21 0.00 1 645 . 67 LYS CB C 31.46 0.02 1 646 . 67 LYS HB2 H 2.056 0.002 2 647 . 67 LYS HB3 H 1.869 0.003 2 648 . 67 LYS CG C 24.20 0.01 1 649 . 67 LYS HG2 H 1.680 0.009 2 650 . 67 LYS HG3 H 1.365 0.005 2 651 . 67 LYS CD C 27.61 0.12 1 652 . 67 LYS CE C 42.21 0.00 1 653 . 67 LYS HE2 H 3.085 0.003 2 654 . 67 LYS HE3 H 3.000 0.001 2 655 . 67 LYS HD2 H 1.674 0.007 1 656 . 68 LEU N N 121.03 0.04 1 657 . 68 LEU H H 7.601 0.006 1 658 . 68 LEU CA C 55.90 0.02 1 659 . 68 LEU HA H 4.137 0.001 1 660 . 68 LEU C C 175.64 0.00 1 661 . 68 LEU CB C 42.69 0.04 1 662 . 68 LEU HB2 H 1.693 0.013 2 663 . 68 LEU HB3 H 1.577 0.009 2 664 . 68 LEU CD1 C 24.26 0.00 1 665 . 68 LEU HD1 H 0.944 0.013 1 666 . 69 LYS N N 118.83 0.04 1 667 . 69 LYS H H 7.738 0.006 1 668 . 69 LYS CA C 55.85 0.02 1 669 . 69 LYS HA H 4.137 0.001 1 670 . 69 LYS C C 174.87 0.00 1 671 . 69 LYS CB C 30.41 0.08 1 672 . 69 LYS HB2 H 1.894 0.001 2 673 . 69 LYS HB3 H 1.772 0.012 2 674 . 69 LYS CG C 24.44 0.06 1 675 . 69 LYS HG2 H 1.506 0.002 2 676 . 69 LYS HG3 H 1.370 0.002 2 677 . 69 LYS CE C 41.77 0.10 1 678 . 69 LYS HE2 H 3.054 0.005 1 679 . 70 MET N N 122.75 0.04 1 680 . 70 MET H H 8.416 0.004 1 681 . 70 MET CA C 55.73 0.05 1 682 . 70 MET HA H 4.740 0.017 1 683 . 70 MET C C 174.49 0.00 1 684 . 70 MET CB C 35.31 0.02 1 685 . 70 MET HB2 H 2.381 0.009 2 686 . 70 MET HB3 H 1.768 0.013 2 687 . 70 MET CG C 32.04 0.02 1 688 . 70 MET HG2 H 2.527 0.001 2 689 . 70 MET HG3 H 2.437 0.007 2 690 . 70 MET CE C 17.57 0.05 1 691 . 70 MET HE H 2.222 0.004 1 692 . 71 ILE N N 125.30 0.05 1 693 . 71 ILE H H 8.280 0.005 1 694 . 71 ILE CA C 58.61 0.05 1 695 . 71 ILE HA H 4.890 0.012 1 696 . 71 ILE C C 175.32 0.00 1 697 . 71 ILE CB C 41.41 0.02 1 698 . 71 ILE HB H 1.681 0.008 1 699 . 71 ILE HG12 H 1.622 0.000 2 700 . 71 ILE HG13 H 1.008 0.000 2 701 . 71 ILE CG2 C 17.16 0.03 1 702 . 71 ILE HG2 H 0.706 0.011 1 703 . 71 ILE CD1 C 13.61 0.02 1 704 . 71 ILE HD1 H 0.839 0.011 1 705 . 72 ILE N N 125.17 0.04 1 706 . 72 ILE H H 8.449 0.005 1 707 . 72 ILE CA C 60.79 0.06 1 708 . 72 ILE HA H 4.903 0.012 1 709 . 72 ILE C C 174.26 0.00 1 710 . 72 ILE CB C 37.80 0.06 1 711 . 72 ILE HB H 1.907 0.010 1 712 . 72 ILE CG1 C 27.01 0.09 1 713 . 72 ILE HG12 H 1.497 0.010 2 714 . 72 ILE HG13 H 0.835 0.005 2 715 . 72 ILE CG2 C 17.93 0.06 1 716 . 72 ILE HG2 H 0.612 0.008 1 717 . 72 ILE CD1 C 13.85 0.07 1 718 . 72 ILE HD1 H 0.323 0.010 1 719 . 73 ALA N N 130.17 0.04 1 720 . 73 ALA H H 9.246 0.006 1 721 . 73 ALA CA C 48.63 0.05 1 722 . 73 ALA HA H 5.105 0.014 1 723 . 73 ALA C C 175.82 0.00 1 724 . 73 ALA CB C 22.16 0.03 1 725 . 73 ALA HB H 1.206 0.011 1 726 . 74 LYS N N 124.27 0.04 1 727 . 74 LYS H H 7.337 0.007 1 728 . 74 LYS CA C 57.60 0.02 1 729 . 74 LYS HA H 3.994 0.014 1 730 . 74 LYS C C 176.08 0.00 1 731 . 74 LYS CB C 30.89 0.04 1 732 . 74 LYS HB2 H 1.373 0.007 2 733 . 74 LYS HB3 H 0.168 0.019 2 734 . 74 LYS CE C 41.87 0.10 1 735 . 74 LYS HE2 H 2.537 0.011 1 736 . 75 ASN N N 126.01 0.02 1 737 . 75 ASN H H 7.209 0.011 1 738 . 75 ASN CA C 50.35 0.06 1 739 . 75 ASN HA H 5.149 0.003 1 740 . 75 ASN C C 173.85 0.00 1 741 . 75 ASN CB C 40.04 0.05 1 742 . 75 ASN HB2 H 2.239 0.012 2 743 . 75 ASN HB3 H 2.132 0.016 2 744 . 75 ASN ND2 N 111.39 0.07 1 745 . 75 ASN HD21 H 7.429 0.002 2 746 . 75 ASN HD22 H 6.968 0.008 2 747 . 76 GLY N N 108.82 0.06 1 748 . 76 GLY H H 7.727 0.005 1 749 . 76 GLY CA C 44.71 0.07 1 750 . 76 GLY HA2 H 4.317 0.016 2 751 . 76 GLY HA3 H 3.786 0.016 2 752 . 77 PRO CA C 61.98 0.04 1 753 . 77 PRO HA H 4.739 0.010 1 754 . 77 PRO C C 174.54 0.00 1 755 . 77 PRO CB C 33.41 0.00 1 756 . 77 PRO HB2 H 2.308 0.003 2 757 . 77 PRO HB3 H 2.229 0.001 2 758 . 77 PRO CG C 26.24 0.02 1 759 . 77 PRO HG2 H 2.061 0.005 2 760 . 77 PRO HG3 H 1.772 0.001 2 761 . 77 PRO CD C 48.87 0.03 1 762 . 77 PRO HD2 H 3.595 0.011 2 763 . 77 PRO HD3 H 3.437 0.012 2 764 . 78 ASP N N 115.98 0.04 1 765 . 78 ASP H H 7.865 0.005 1 766 . 78 ASP CA C 57.54 0.15 1 767 . 78 ASP HA H 3.858 0.020 1 768 . 78 ASP C C 174.44 0.00 1 769 . 78 ASP CB C 42.36 0.09 1 770 . 78 ASP HB2 H 2.995 0.006 2 771 . 78 ASP HB3 H 2.547 0.011 2 772 . 79 THR N N 118.18 0.05 1 773 . 79 THR H H 7.195 0.008 1 774 . 79 THR CA C 59.21 0.03 1 775 . 79 THR HA H 4.741 0.011 1 776 . 79 THR C C 172.42 0.00 1 777 . 79 THR CB C 68.36 0.05 1 778 . 79 THR HB H 4.341 0.015 1 779 . 79 THR CG2 C 20.48 0.07 1 780 . 79 THR HG2 H 1.245 0.011 1 781 . 80 GLU N N 121.37 0.03 1 782 . 80 GLU H H 8.323 0.003 1 783 . 80 GLU CA C 56.33 0.10 1 784 . 80 GLU HA H 4.593 0.012 1 785 . 80 GLU C C 177.91 0.00 1 786 . 80 GLU CB C 29.70 0.02 1 787 . 80 GLU HB2 H 2.255 0.007 2 788 . 80 GLU HB3 H 1.988 0.009 2 789 . 80 GLU CG C 36.54 0.01 1 790 . 80 GLU HG3 H 2.355 0.006 1 791 . 81 ARG N N 121.74 0.04 1 792 . 81 ARG H H 8.458 0.003 1 793 . 81 ARG CA C 57.20 0.06 1 794 . 81 ARG HA H 4.251 0.015 1 795 . 81 ARG C C 175.99 0.00 1 796 . 81 ARG CB C 30.70 0.00 1 797 . 81 ARG HB2 H 2.036 0.012 2 798 . 81 ARG HB3 H 1.885 0.002 2 799 . 81 ARG CG C 27.91 0.02 1 800 . 81 ARG CD C 43.34 0.08 1 801 . 81 ARG HG2 H 1.822 0.015 1 802 . 81 ARG HD2 H 3.320 0.014 1 803 . 82 LEU N N 120.78 0.04 1 804 . 82 LEU H H 8.449 0.004 1 805 . 82 LEU CA C 53.52 0.04 1 806 . 82 LEU HA H 4.495 0.014 1 807 . 82 LEU CB C 41.23 0.02 1 808 . 82 LEU HB2 H 1.871 0.004 2 809 . 82 LEU HB3 H 1.677 0.006 2 810 . 82 LEU CG C 26.90 0.01 1 811 . 82 LEU HG H 2.005 0.002 1 812 . 82 LEU CD1 C 23.47 0.02 2 813 . 82 LEU HD1 H 1.074 0.014 2 814 . 82 LEU CD2 C 25.59 0.04 2 815 . 82 LEU HD2 H 0.967 0.011 2 816 . 83 PRO CA C 63.04 0.02 1 817 . 83 PRO HA H 4.944 0.007 1 818 . 83 PRO C C 174.11 0.00 1 819 . 83 PRO CB C 32.81 0.05 1 820 . 83 PRO HB2 H 2.701 0.010 2 821 . 83 PRO HB3 H 2.017 0.000 2 822 . 83 PRO CG C 27.85 0.03 1 823 . 83 PRO HG2 H 2.171 0.008 2 824 . 83 PRO HG3 H 1.947 0.006 2 825 . 83 PRO CD C 49.91 0.02 1 826 . 83 PRO HD2 H 4.331 0.008 2 827 . 83 PRO HD3 H 3.558 0.007 2 828 . 84 THR N N 110.56 0.04 1 829 . 84 THR H H 8.171 0.005 1 830 . 84 THR CA C 59.89 0.08 1 831 . 84 THR HA H 4.977 0.011 1 832 . 84 THR C C 172.20 0.00 1 833 . 84 THR CB C 72.19 0.03 1 834 . 84 THR HB H 4.368 0.010 1 835 . 84 THR CG2 C 22.48 0.02 1 836 . 84 THR HG2 H 1.290 0.014 1 837 . 85 SER N N 112.98 0.04 1 838 . 85 SER H H 8.286 0.003 1 839 . 85 SER CA C 55.64 0.09 1 840 . 85 SER HA H 5.340 0.012 1 841 . 85 SER C C 174.00 0.00 1 842 . 85 SER CB C 66.39 0.04 1 843 . 85 SER HB2 H 3.660 0.010 2 844 . 85 SER HB3 H 3.200 0.014 2 845 . 86 HIS N N 121.30 0.04 1 846 . 86 HIS H H 8.872 0.007 1 847 . 86 HIS CA C 54.09 0.09 1 848 . 86 HIS HA H 5.180 0.009 1 849 . 86 HIS C C 177.36 0.00 1 850 . 86 HIS CB C 31.89 0.08 1 851 . 86 HIS HB2 H 3.238 0.011 2 852 . 86 HIS HB3 H 3.035 0.014 2 853 . 86 HIS CD2 C 118.74 0.30 1 854 . 86 HIS HD2 H 6.944 0.005 1 855 . 86 HIS CE1 C 138.63 0.08 1 856 . 86 HIS HE1 H 7.757 0.005 1 857 . 87 THR N N 117.89 0.02 1 858 . 87 THR H H 8.685 0.010 1 859 . 87 THR CA C 64.87 0.06 1 860 . 87 THR HA H 4.215 0.008 1 861 . 87 THR CB C 68.39 0.04 1 862 . 87 THR HB H 3.905 0.015 1 863 . 87 THR CG2 C 21.95 0.02 1 864 . 87 THR HG2 H 1.077 0.009 1 865 . 88 CYS CA C 60.10 0.04 1 866 . 88 CYS HA H 4.196 0.017 1 867 . 88 CYS C C 174.74 0.00 1 868 . 88 CYS CB C 26.87 0.08 1 869 . 88 CYS HB2 H 2.527 0.016 1 870 . 89 PHE N N 116.59 0.07 1 871 . 89 PHE H H 7.113 0.010 1 872 . 89 PHE CA C 55.78 0.08 1 873 . 89 PHE HA H 4.942 0.015 1 874 . 89 PHE C C 173.93 0.00 1 875 . 89 PHE CB C 41.29 0.08 1 876 . 89 PHE HB2 H 3.544 0.017 2 877 . 89 PHE HB3 H 2.503 0.018 2 878 . 89 PHE CD1 C 131.38 0.11 1 879 . 89 PHE HD1 H 7.025 0.006 1 880 . 90 ASN N N 118.23 0.02 1 881 . 90 ASN H H 7.944 0.004 1 882 . 90 ASN CA C 53.68 0.06 1 883 . 90 ASN HA H 4.612 0.016 1 884 . 90 ASN C C 172.64 0.00 1 885 . 90 ASN CB C 36.85 0.05 1 886 . 90 ASN HB2 H 3.275 0.004 2 887 . 90 ASN HB3 H 2.612 0.022 2 888 . 90 ASN ND2 N 110.49 0.00 1 889 . 90 ASN HD21 H 7.490 0.000 2 890 . 90 ASN HD22 H 6.659 0.000 2 891 . 91 VAL N N 115.66 0.04 1 892 . 91 VAL H H 7.380 0.006 1 893 . 91 VAL CA C 60.00 0.07 1 894 . 91 VAL HA H 4.995 0.021 1 895 . 91 VAL C C 174.65 0.00 1 896 . 91 VAL CB C 35.03 0.04 1 897 . 91 VAL HB H 1.912 0.017 1 898 . 91 VAL CG1 C 21.89 0.05 2 899 . 91 VAL HG1 H 0.970 0.011 2 900 . 91 VAL CG2 C 21.21 0.06 2 901 . 91 VAL HG2 H 0.835 0.014 2 902 . 92 LEU N N 129.39 0.07 1 903 . 92 LEU H H 9.319 0.007 1 904 . 92 LEU CA C 53.38 0.04 1 905 . 92 LEU HA H 4.702 0.008 1 906 . 92 LEU C C 173.84 0.00 1 907 . 92 LEU CB C 43.98 0.06 1 908 . 92 LEU HB2 H 2.092 0.013 2 909 . 92 LEU HB3 H 1.359 0.007 2 910 . 92 LEU CG C 27.71 0.06 1 911 . 92 LEU HG H 1.532 0.017 1 912 . 92 LEU CD1 C 23.83 0.08 2 913 . 92 LEU HD1 H 1.181 0.002 2 914 . 92 LEU CD2 C 27.77 0.03 2 915 . 92 LEU HD2 H 1.051 0.010 2 916 . 93 LEU N N 129.23 0.04 1 917 . 93 LEU H H 9.120 0.006 1 918 . 93 LEU CA C 54.50 0.07 1 919 . 93 LEU HA H 4.853 0.014 1 920 . 93 LEU C C 174.91 0.00 1 921 . 93 LEU CB C 40.30 0.05 1 922 . 93 LEU HB2 H 2.067 0.012 2 923 . 93 LEU HB3 H 0.994 0.016 2 924 . 93 LEU CG C 27.52 0.03 1 925 . 93 LEU HG H 1.358 0.011 1 926 . 93 LEU CD1 C 24.71 0.02 2 927 . 93 LEU HD1 H 0.694 0.009 2 928 . 93 LEU CD2 C 25.17 0.13 2 929 . 93 LEU HD2 H 0.613 0.017 2 930 . 94 LEU N N 126.04 0.05 1 931 . 94 LEU H H 8.710 0.004 1 932 . 94 LEU CA C 50.74 0.04 1 933 . 94 LEU HA H 5.103 0.007 1 934 . 94 LEU CB C 46.48 0.02 1 935 . 94 LEU HB2 H 2.003 0.007 2 936 . 94 LEU HB3 H 1.096 0.010 2 937 . 94 LEU CG C 25.71 0.05 1 938 . 94 LEU HG H 1.860 0.013 1 939 . 94 LEU CD1 C 24.41 0.00 2 940 . 94 LEU HD1 H 1.045 0.001 2 941 . 94 LEU CD2 C 25.53 0.09 2 942 . 94 LEU HD2 H 0.591 0.006 2 943 . 95 PRO CA C 62.44 0.03 1 944 . 95 PRO HA H 3.960 0.009 1 945 . 95 PRO C C 173.53 0.00 1 946 . 95 PRO CB C 32.94 0.01 1 947 . 95 PRO HB2 H 1.997 0.008 2 948 . 95 PRO HB3 H 0.379 0.014 2 949 . 95 PRO CG C 27.26 0.00 1 950 . 95 PRO HG2 H 1.831 0.002 2 951 . 95 PRO HG3 H 1.561 0.003 2 952 . 95 PRO CD C 51.46 0.03 1 953 . 95 PRO HD2 H 4.252 0.005 2 954 . 95 PRO HD3 H 3.477 0.006 2 955 . 96 GLU N N 121.71 0.03 1 956 . 96 GLU H H 8.004 0.004 1 957 . 96 GLU CA C 53.93 0.07 1 958 . 96 GLU HA H 4.543 0.015 1 959 . 96 GLU C C 175.06 0.00 1 960 . 96 GLU CB C 28.71 0.04 1 961 . 96 GLU HB2 H 2.238 0.015 2 962 . 96 GLU HB3 H 1.714 0.002 2 963 . 96 GLU CG C 37.70 0.04 1 964 . 96 GLU HG2 H 2.388 0.007 2 965 . 96 GLU HG3 H 2.271 0.013 2 966 . 97 TYR N N 121.93 0.03 1 967 . 97 TYR H H 7.413 0.007 1 968 . 97 TYR CA C 58.68 0.08 1 969 . 97 TYR HA H 5.071 0.019 1 970 . 97 TYR C C 176.53 0.00 1 971 . 97 TYR CB C 40.43 0.06 1 972 . 97 TYR HB2 H 3.205 0.016 2 973 . 97 TYR HB3 H 2.628 0.017 2 974 . 97 TYR CD1 C 132.55 0.10 1 975 . 97 TYR HD1 H 7.440 0.007 1 976 . 97 TYR CE1 C 118.30 0.06 1 977 . 97 TYR HE1 H 6.972 0.006 1 978 . 98 SER N N 110.22 0.05 1 979 . 98 SER H H 7.803 0.006 1 980 . 98 SER CA C 59.33 0.05 1 981 . 98 SER HA H 4.316 0.001 1 982 . 98 SER C C 174.13 0.00 1 983 . 98 SER CB C 64.22 0.06 1 984 . 98 SER HB2 H 4.196 0.015 2 985 . 98 SER HB3 H 3.893 0.013 2 986 . 99 SER N N 111.83 0.03 1 987 . 99 SER H H 7.219 0.007 1 988 . 99 SER CA C 57.32 0.10 1 989 . 99 SER HA H 4.944 0.012 1 990 . 99 SER C C 173.96 0.00 1 991 . 99 SER CB C 66.69 0.07 1 992 . 99 SER HB2 H 4.297 0.017 2 993 . 99 SER HB3 H 4.088 0.017 2 994 . 100 LYS N N 122.95 0.02 1 995 . 100 LYS H H 9.120 0.004 1 996 . 100 LYS CA C 59.28 0.05 1 997 . 100 LYS HA H 3.927 0.015 1 998 . 100 LYS C C 177.60 0.00 1 999 . 100 LYS CB C 32.30 0.02 1 1000 . 100 LYS HB2 H 1.934 0.005 2 1001 . 100 LYS HB3 H 1.804 0.002 2 1002 . 100 LYS CG C 25.12 0.00 1 1003 . 100 LYS HG2 H 1.401 0.001 2 1004 . 100 LYS HG3 H 1.266 0.002 2 1005 . 100 LYS CD C 29.92 0.00 1 1006 . 100 LYS CE C 42.12 0.02 1 1007 . 100 LYS HD2 H 1.717 0.001 1 1008 . 100 LYS HE2 H 2.952 0.011 1 1009 . 101 GLU N N 119.22 0.04 1 1010 . 101 GLU H H 8.652 0.005 1 1011 . 101 GLU CA C 60.11 0.01 1 1012 . 101 GLU C C 179.02 0.00 1 1013 . 101 GLU CB C 28.61 0.01 1 1014 . 102 LYS N N 122.01 0.04 1 1015 . 102 LYS H H 7.822 0.004 1 1016 . 102 LYS CA C 59.03 0.05 1 1017 . 102 LYS HA H 4.126 0.009 1 1018 . 102 LYS C C 177.10 0.00 1 1019 . 102 LYS CB C 33.64 0.03 1 1020 . 102 LYS HB2 H 1.863 0.010 2 1021 . 102 LYS HB3 H 1.761 0.008 2 1022 . 102 LYS CG C 25.37 0.07 1 1023 . 102 LYS HG2 H 1.402 0.001 2 1024 . 102 LYS HG3 H 1.115 0.015 2 1025 . 102 LYS CE C 42.12 0.00 1 1026 . 102 LYS HE2 H 3.158 0.001 2 1027 . 102 LYS HE3 H 3.088 0.001 2 1028 . 103 LEU N N 118.83 0.04 1 1029 . 103 LEU H H 7.876 0.003 1 1030 . 103 LEU CA C 58.53 0.04 1 1031 . 103 LEU HA H 3.808 0.008 1 1032 . 103 LEU C C 177.06 0.00 1 1033 . 103 LEU CB C 41.02 0.04 1 1034 . 103 LEU HB2 H 2.209 0.011 2 1035 . 103 LEU HB3 H 1.743 0.007 2 1036 . 103 LEU CG C 28.10 0.01 1 1037 . 103 LEU HG H 1.675 0.007 1 1038 . 103 LEU CD1 C 25.74 0.08 1 1039 . 103 LEU HD1 H 1.379 0.017 1 1040 . 103 LEU CD2 C 26.65 0.17 1 1041 . 103 LEU HD2 H 1.113 0.019 1 1042 . 104 LYS N N 117.28 0.03 1 1043 . 104 LYS H H 8.394 0.004 1 1044 . 104 LYS CA C 60.91 0.03 1 1045 . 104 LYS HA H 3.695 0.014 1 1046 . 104 LYS C C 176.74 0.00 1 1047 . 104 LYS CB C 32.47 0.01 1 1048 . 104 LYS HB2 H 1.993 0.005 2 1049 . 104 LYS HB3 H 1.783 0.000 2 1050 . 104 LYS CG C 25.28 0.01 1 1051 . 104 LYS HG2 H 1.505 0.005 2 1052 . 104 LYS HG3 H 1.252 0.000 2 1053 . 104 LYS CD C 29.91 0.00 1 1054 . 104 LYS CE C 42.25 0.00 1 1055 . 104 LYS HD2 H 1.731 0.000 1 1056 . 104 LYS HE2 H 2.993 0.002 1 1057 . 105 GLU N N 117.94 0.04 1 1058 . 105 GLU H H 7.722 0.005 1 1059 . 105 GLU CA C 60.11 0.00 1 1060 . 105 GLU HA H 3.941 0.004 1 1061 . 105 GLU C C 179.77 0.00 1 1062 . 105 GLU CB C 29.19 0.03 1 1063 . 105 GLU HB2 H 2.377 0.007 2 1064 . 105 GLU HB3 H 2.065 0.017 2 1065 . 105 GLU CG C 35.49 0.03 1 1066 . 105 GLU HG2 H 2.486 0.012 2 1067 . 105 GLU HG3 H 2.210 0.013 2 1068 . 106 ARG N N 118.39 0.07 1 1069 . 106 ARG H H 8.585 0.004 1 1070 . 106 ARG CA C 58.44 0.00 1 1071 . 106 ARG HA H 4.049 0.001 1 1072 . 106 ARG C C 178.79 0.00 1 1073 . 106 ARG CB C 32.65 0.01 1 1074 . 106 ARG HB2 H 1.811 0.002 2 1075 . 106 ARG HB3 H 1.723 0.002 2 1076 . 106 ARG CD C 44.49 0.04 1 1077 . 106 ARG HD2 H 3.026 0.006 2 1078 . 106 ARG HD3 H 2.945 0.010 2 1079 . 107 LEU N N 119.02 0.04 1 1080 . 107 LEU H H 8.739 0.004 1 1081 . 107 LEU CA C 58.28 0.00 1 1082 . 107 LEU HA H 4.055 0.003 1 1083 . 107 LEU C C 178.52 0.00 1 1084 . 107 LEU CB C 42.82 0.04 1 1085 . 107 LEU HB2 H 2.021 0.015 2 1086 . 107 LEU HB3 H 1.734 0.005 2 1087 . 107 LEU CG C 27.38 0.00 1 1088 . 107 LEU HG H 1.810 0.003 1 1089 . 107 LEU CD1 C 23.56 0.02 2 1090 . 107 LEU HD1 H 1.101 0.001 2 1091 . 107 LEU CD2 C 26.26 0.10 2 1092 . 107 LEU HD2 H 0.946 0.009 2 1093 . 108 LEU N N 117.03 0.06 1 1094 . 108 LEU H H 8.583 0.005 1 1095 . 108 LEU CA C 57.81 0.06 1 1096 . 108 LEU HA H 3.998 0.005 1 1097 . 108 LEU C C 180.24 0.00 1 1098 . 108 LEU CB C 41.25 0.03 1 1099 . 108 LEU HB2 H 1.986 0.001 2 1100 . 108 LEU HB3 H 1.349 0.015 2 1101 . 108 LEU CG C 27.48 0.03 1 1102 . 108 LEU HG H 1.767 0.009 1 1103 . 108 LEU CD1 C 25.49 0.03 2 1104 . 108 LEU HD1 H 0.848 0.007 2 1105 . 108 LEU CD2 C 23.28 0.04 2 1106 . 108 LEU HD2 H 0.576 0.013 2 1107 . 109 LYS N N 120.58 0.06 1 1108 . 109 LYS H H 7.932 0.004 1 1109 . 109 LYS CA C 59.06 0.04 1 1110 . 109 LYS HA H 3.963 0.006 1 1111 . 109 LYS C C 178.28 0.00 1 1112 . 109 LYS CB C 31.86 0.01 1 1113 . 109 LYS HB2 H 1.975 0.003 2 1114 . 109 LYS HB3 H 1.929 0.002 2 1115 . 109 LYS CG C 25.29 0.00 1 1116 . 109 LYS CD C 28.91 0.00 1 1117 . 109 LYS CE C 42.12 0.00 1 1118 . 109 LYS HG3 H 1.509 0.002 1 1119 . 109 LYS HD2 H 1.713 0.001 1 1120 . 109 LYS HE2 H 2.983 0.007 1 1121 . 110 ALA N N 119.72 0.06 1 1122 . 110 ALA H H 7.914 0.007 1 1123 . 110 ALA CA C 54.77 0.08 1 1124 . 110 ALA HA H 4.096 0.009 1 1125 . 110 ALA C C 179.73 0.00 1 1126 . 110 ALA CB C 18.57 0.03 1 1127 . 110 ALA HB H 1.315 0.016 1 1128 . 111 ILE N N 107.10 0.04 1 1129 . 111 ILE H H 7.796 0.004 1 1130 . 111 ILE CA C 63.36 0.02 1 1131 . 111 ILE HA H 3.893 0.015 1 1132 . 111 ILE C C 176.55 0.00 1 1133 . 111 ILE CB C 37.01 0.04 1 1134 . 111 ILE HB H 1.881 0.011 1 1135 . 111 ILE CG1 C 25.07 0.06 1 1136 . 111 ILE HG12 H 1.654 0.011 2 1137 . 111 ILE HG13 H 1.257 0.004 2 1138 . 111 ILE CG2 C 16.19 0.07 1 1139 . 111 ILE HG2 H 0.747 0.011 1 1140 . 111 ILE CD1 C 14.38 0.09 1 1141 . 111 ILE HD1 H 0.702 0.009 1 1142 . 112 THR N N 113.38 0.03 1 1143 . 112 THR H H 7.434 0.006 1 1144 . 112 THR CA C 63.95 0.05 1 1145 . 112 THR HA H 4.171 0.017 1 1146 . 112 THR C C 175.32 0.00 1 1147 . 112 THR CB C 69.22 0.03 1 1148 . 112 THR HB H 4.172 0.012 1 1149 . 112 THR CG2 C 21.14 0.02 1 1150 . 112 THR HG2 H 1.091 0.009 1 1151 . 113 TYR N N 122.02 0.03 1 1152 . 113 TYR H H 7.618 0.004 1 1153 . 113 TYR CA C 58.89 0.10 1 1154 . 113 TYR HA H 4.474 0.012 1 1155 . 113 TYR C C 176.17 0.00 1 1156 . 113 TYR CB C 37.93 0.10 1 1157 . 113 TYR HB2 H 3.128 0.013 1 1158 . 113 TYR CD1 C 133.08 0.12 1 1159 . 113 TYR HD1 H 7.205 0.004 1 1160 . 113 TYR CE1 C 118.09 0.07 1 1161 . 113 TYR HE1 H 6.859 0.009 1 1162 . 114 ALA N N 123.34 0.04 1 1163 . 114 ALA H H 7.867 0.005 1 1164 . 114 ALA CA C 52.96 0.05 1 1165 . 114 ALA HA H 4.257 0.014 1 1166 . 114 ALA C C 177.61 0.00 1 1167 . 114 ALA CB C 19.10 0.05 1 1168 . 114 ALA HB H 1.499 0.011 1 1169 . 115 LYS N N 119.15 0.04 1 1170 . 115 LYS H H 7.990 0.004 1 1171 . 115 LYS CA C 56.62 0.01 1 1172 . 115 LYS HA H 4.286 0.002 1 1173 . 115 LYS C C 177.12 0.00 1 1174 . 115 LYS CB C 32.82 0.03 1 1175 . 115 LYS HB2 H 1.893 0.005 2 1176 . 115 LYS HB3 H 1.812 0.003 2 1177 . 115 LYS CG C 24.71 0.01 1 1178 . 115 LYS CD C 29.05 0.00 1 1179 . 115 LYS CE C 42.15 0.00 1 1180 . 115 LYS HG3 H 1.482 0.007 1 1181 . 115 LYS HD2 H 1.730 0.002 1 1182 . 115 LYS HE2 H 3.030 0.002 1 1183 . 116 GLY N N 108.87 0.03 1 1184 . 116 GLY H H 8.168 0.003 1 1185 . 116 GLY CA C 45.13 0.05 1 1186 . 116 GLY HA2 H 3.954 0.001 2 1187 . 116 GLY HA3 H 3.901 0.003 2 1188 . 116 GLY C C 174.01 0.00 1 1189 . 117 PHE N N 119.78 0.04 1 1190 . 117 PHE H H 8.124 0.006 1 1191 . 117 PHE CA C 58.05 0.06 1 1192 . 117 PHE HA H 4.612 0.013 1 1193 . 117 PHE C C 176.37 0.00 1 1194 . 117 PHE CB C 39.40 0.03 1 1195 . 117 PHE HB2 H 3.212 0.010 2 1196 . 117 PHE HB3 H 3.062 0.012 2 1197 . 117 PHE CD1 C 131.87 0.12 1 1198 . 117 PHE HD1 H 7.255 0.003 1 1199 . 118 GLY N N 110.45 0.01 1 1200 . 118 GLY H H 8.386 0.005 1 1201 . 118 GLY CA C 45.37 0.04 1 1202 . 118 GLY HA2 H 3.950 0.009 2 1203 . 118 GLY HA3 H 3.896 0.001 2 1204 . 118 GLY C C 173.88 0.00 1 1205 . 119 MET N N 119.79 0.03 1 1206 . 119 MET H H 8.058 0.004 1 1207 . 119 MET CA C 55.37 0.03 1 1208 . 119 MET HA H 4.526 0.014 1 1209 . 119 MET C C 175.20 0.00 1 1210 . 119 MET CB C 33.04 0.13 1 1211 . 119 MET HB2 H 2.159 0.016 2 1212 . 119 MET HB3 H 2.012 0.016 2 1213 . 119 MET CG C 32.06 0.01 1 1214 . 119 MET HG2 H 2.621 0.011 2 1215 . 119 MET HG3 H 2.553 0.008 2 1216 . 119 MET CE C 17.01 0.01 1 1217 . 119 MET HE H 2.126 0.006 1 1218 . 120 LEU N N 128.77 0.02 1 1219 . 120 LEU H H 7.867 0.005 1 1220 . 120 LEU CA C 56.73 0.02 1 1221 . 120 LEU HA H 4.237 0.018 1 1222 . 120 LEU CB C 43.35 0.02 1 1223 . 120 LEU CG C 27.25 0.00 1 1224 . 120 LEU HG H 1.609 0.007 1 1225 . 120 LEU HB2 H 1.624 0.016 1 1226 . 120 LEU CD1 C 23.58 0.01 1 1227 . 120 LEU HD1 H 0.902 0.017 1 stop_ save_