data_5907 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Assignment of 1H, 13C and 15N Resonances of the Human Ku80 C-terminal Domain ; _BMRB_accession_number 5907 _BMRB_flat_file_name bmr5907.str _Entry_type original _Submission_date 2003-08-19 _Accession_date 2003-08-19 _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 Zhang Ziming . . 2 Hu Weidong . . 3 Chen Yuan . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 837 "13C chemical shifts" 601 "15N chemical shifts" 155 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-08-30 original author . stop_ _Original_release_date 2004-08-30 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the C-terminal domain of Ku80 suggests important sites for protein-protein interactions. ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15016365 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Ziming . . 2 Hu Weidong . . 3 Cano L. . . 4 Lee T. D. . 5 Chen D. J. . 6 Chen Yuan . . stop_ _Journal_abbreviation 'Structure (Camb)' _Journal_volume 12 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 495 _Page_last 502 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_Ku80 _Saveframe_category molecular_system _Mol_system_name 'Ku80 CTD' _Abbreviation_common Ku80 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Ku80 CTD' $Ku80_CTD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not reported' loop_ _Biological_function 'DNA repair' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Ku80_CTD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Human Ku80 C-terminal Domain' _Abbreviation_common 'Ku80 CTD' _Molecular_mass . _Mol_thiol_state 'not reported' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 152 _Mol_residue_sequence ; MHHHHHHKLKTEQGGAHFSV SSLAEGSVTSVGSVNPAENF RVLVKQKKASFEEASNQLIN HIEQFLDTNETPYFMKSIDC IRAFREEAIKFSEEQRFNNF LKALQEKVEIKQLNHFWEIV VQDGITLITKEEASGSSVTA EEAKKFLAPKDK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 HIS 3 HIS 4 HIS 5 HIS 6 HIS 7 HIS 8 LYS 9 LEU 10 LYS 11 THR 12 GLU 13 GLN 14 GLY 15 GLY 16 ALA 17 HIS 18 PHE 19 SER 20 VAL 21 SER 22 SER 23 LEU 24 ALA 25 GLU 26 GLY 27 SER 28 VAL 29 THR 30 SER 31 VAL 32 GLY 33 SER 34 VAL 35 ASN 36 PRO 37 ALA 38 GLU 39 ASN 40 PHE 41 ARG 42 VAL 43 LEU 44 VAL 45 LYS 46 GLN 47 LYS 48 LYS 49 ALA 50 SER 51 PHE 52 GLU 53 GLU 54 ALA 55 SER 56 ASN 57 GLN 58 LEU 59 ILE 60 ASN 61 HIS 62 ILE 63 GLU 64 GLN 65 PHE 66 LEU 67 ASP 68 THR 69 ASN 70 GLU 71 THR 72 PRO 73 TYR 74 PHE 75 MET 76 LYS 77 SER 78 ILE 79 ASP 80 CYS 81 ILE 82 ARG 83 ALA 84 PHE 85 ARG 86 GLU 87 GLU 88 ALA 89 ILE 90 LYS 91 PHE 92 SER 93 GLU 94 GLU 95 GLN 96 ARG 97 PHE 98 ASN 99 ASN 100 PHE 101 LEU 102 LYS 103 ALA 104 LEU 105 GLN 106 GLU 107 LYS 108 VAL 109 GLU 110 ILE 111 LYS 112 GLN 113 LEU 114 ASN 115 HIS 116 PHE 117 TRP 118 GLU 119 ILE 120 VAL 121 VAL 122 GLN 123 ASP 124 GLY 125 ILE 126 THR 127 LEU 128 ILE 129 THR 130 LYS 131 GLU 132 GLU 133 ALA 134 SER 135 GLY 136 SER 137 SER 138 VAL 139 THR 140 ALA 141 GLU 142 GLU 143 ALA 144 LYS 145 LYS 146 PHE 147 LEU 148 ALA 149 PRO 150 LYS 151 ASP 152 LYS 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 BMRB 5912 helicase_II 78.95 120 99.17 99.17 1.65e-79 PDB 1Q2Z "The 3d Solution Structure Of The C-Terminal Region Of Ku86" 78.95 120 99.17 99.17 1.65e-79 PDB 1RW2 "Three-Dimensional Structure Of Ku80 Ctd" 100.00 152 100.00 100.00 1.97e-105 DBJ BAD96323 "ATP-dependent DNA helicase II variant [Homo sapiens]" 95.39 732 100.00 100.00 8.38e-92 DBJ BAE01114 "unnamed protein product [Macaca fascicularis]" 95.39 618 97.93 100.00 2.11e-91 DBJ BAF83429 "unnamed protein product [Homo sapiens]" 95.39 732 100.00 100.00 7.87e-92 DBJ BAH24115 "X-ray repair complementing defective repair in Chinese hamster cells 5 [synthetic construct]" 95.39 732 100.00 100.00 8.75e-92 EMBL CAA40736 "nuclear factor IV [Homo sapiens]" 95.39 628 100.00 100.00 1.07e-92 EMBL CAH92321 "hypothetical protein [Pongo abelii]" 95.39 732 97.93 100.00 1.67e-90 GB AAA36154 "Ku (p70/p80) subunit [Homo sapiens]" 95.39 732 100.00 100.00 8.75e-92 GB AAA59475 "Ku antigen [Homo sapiens]" 95.39 732 100.00 100.00 8.75e-92 GB AAH19027 "X-ray repair complementing defective repair in Chinese hamster cells 5 (double-strand-break rejoining) [Homo sapiens]" 95.39 732 100.00 100.00 8.75e-92 GB AAH95442 "X-ray repair complementing defective repair in Chinese hamster cells 5 (double-strand-break rejoining) [Homo sapiens]" 95.39 732 100.00 100.00 8.75e-92 GB AAR11279 "Ku autoantigen [Pan troglodytes]" 76.32 138 99.14 100.00 1.04e-75 REF NP_001126362 "X-ray repair cross-complementing protein 5 [Pongo abelii]" 95.39 732 97.93 100.00 1.67e-90 REF NP_001244295 "X-ray repair cross-complementing protein 5 [Macaca mulatta]" 95.39 732 97.93 100.00 2.42e-90 REF NP_066964 "X-ray repair cross-complementing protein 5 [Homo sapiens]" 95.39 732 100.00 100.00 8.75e-92 REF XP_001151873 "PREDICTED: X-ray repair cross-complementing protein 5 [Pan troglodytes]" 95.39 827 99.31 100.00 1.70e-90 REF XP_003254095 "PREDICTED: X-ray repair cross-complementing protein 5 [Nomascus leucogenys]" 95.39 732 98.62 100.00 9.45e-91 SP P13010 "RecName: Full=X-ray repair cross-complementing protein 5; AltName: Full=86 kDa subunit of Ku antigen; AltName: Full=ATP-depende" 95.39 732 100.00 100.00 8.75e-92 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Ku80_CTD 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 $Ku80_CTD '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 $Ku80_CTD . mM 1.0 1.5 . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save_HNCO_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label $Sample_1 save_ save_HN(CA)CO_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label $Sample_1 save_ save_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label $Sample_1 save_ save_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $Sample_1 save_ save_C(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _Sample_label $Sample_1 save_ save_HC(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH _Sample_label $Sample_1 save_ save_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _Sample_label $Sample_1 save_ save_HCCHTOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _Sample_label $Sample_1 save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name C(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HC(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name HCCHTOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Experiment_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.05 n/a temperature 298 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 _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 $entry_citation $entry_citation 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 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_chemical_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $Sample_1 stop_ _Sample_conditions_label $Experiment_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'Ku80 CTD' _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 . 7 HIS C C 174.60 0.50 1 2 . 7 HIS CA C 56.37 0.50 1 3 . 7 HIS HA H 4.64 0.05 1 4 . 7 HIS CB C 30.25 0.50 1 5 . 7 HIS HB3 H 3.15 0.05 1 6 . 7 HIS HB2 H 3.15 0.05 1 7 . 8 LYS N N 123.00 0.70 1 8 . 8 LYS H H 8.52 0.02 1 9 . 8 LYS C C 176.35 0.50 1 10 . 8 LYS CA C 56.89 0.50 1 11 . 8 LYS HA H 4.26 0.05 1 12 . 8 LYS CB C 33.53 0.50 1 13 . 8 LYS HB2 H 1.73 0.05 2 14 . 8 LYS HB3 H 1.69 0.05 2 15 . 8 LYS CG C 25.26 0.50 1 16 . 8 LYS HG3 H 1.39 0.05 1 17 . 8 LYS HG2 H 1.39 0.05 1 18 . 8 LYS CD C 29.68 0.50 1 19 . 8 LYS CE C 42.55 0.50 1 20 . 8 LYS HE3 H 2.97 0.05 1 21 . 8 LYS HE2 H 2.97 0.05 1 22 . 9 LEU N N 123.63 0.70 1 23 . 9 LEU H H 8.36 0.02 1 24 . 9 LEU C C 177.39 0.50 1 25 . 9 LEU CA C 55.61 0.50 1 26 . 9 LEU HA H 4.33 0.05 1 27 . 9 LEU CB C 42.99 0.50 1 28 . 9 LEU HB3 H 1.61 0.05 1 29 . 9 LEU HB2 H 1.61 0.05 1 30 . 9 LEU CG C 32.32 0.50 1 31 . 9 LEU CD1 C 27.64 0.50 1 32 . 9 LEU CD2 C 25.37 0.50 1 33 . 9 LEU HD2 H 0.90 0.05 2 34 . 9 LEU HD1 H 0.87 0.05 2 35 . 10 LYS N N 122.54 0.70 1 36 . 10 LYS H H 8.42 0.02 1 37 . 10 LYS C C 176.68 0.50 1 38 . 10 LYS CA C 56.82 0.50 1 39 . 10 LYS HA H 4.36 0.05 1 40 . 10 LYS CB C 33.46 0.50 1 41 . 10 LYS HB3 H 1.82 0.05 1 42 . 10 LYS HB2 H 1.82 0.05 1 43 . 10 LYS CG C 25.35 0.50 1 44 . 10 LYS HG3 H 1.41 0.05 1 45 . 10 LYS HG2 H 1.41 0.05 1 46 . 10 LYS CD C 29.68 0.50 1 47 . 10 LYS HD3 H 1.67 0.05 1 48 . 10 LYS HD2 H 1.67 0.05 1 49 . 10 LYS CE C 42.58 0.50 1 50 . 10 LYS HE3 H 2.97 0.05 1 51 . 10 LYS HE2 H 2.97 0.05 1 52 . 11 THR N N 114.91 0.70 1 53 . 11 THR H H 8.08 0.02 1 54 . 11 THR C C 174.60 0.50 1 55 . 11 THR CA C 62.23 0.50 1 56 . 11 THR HA H 4.30 0.05 1 57 . 11 THR CB C 69.97 0.50 1 58 . 11 THR HB H 4.21 0.05 1 59 . 11 THR CG2 C 22.31 0.50 1 60 . 11 THR HG2 H 1.17 0.05 1 61 . 12 GLU N N 122.95 0.70 1 62 . 12 GLU H H 8.43 0.02 1 63 . 12 GLU C C 176.50 0.50 1 64 . 12 GLU CA C 57.04 0.50 1 65 . 12 GLU HA H 4.32 0.05 1 66 . 12 GLU CB C 30.79 0.50 1 67 . 12 GLU HB2 H 1.93 0.05 2 68 . 12 GLU HB3 H 2.04 0.05 2 69 . 12 GLU CG C 36.69 0.50 1 70 . 12 GLU HG3 H 2.25 0.05 1 71 . 12 GLU HG2 H 2.25 0.05 1 72 . 13 GLN N N 121.22 0.70 1 73 . 13 GLN H H 8.43 0.02 1 74 . 13 GLN C C 176.53 0.50 1 75 . 13 GLN CA C 56.62 0.50 1 76 . 13 GLN HA H 4.30 0.05 1 77 . 13 GLN CB C 30.23 0.50 1 78 . 13 GLN HB2 H 1.97 0.05 2 79 . 13 GLN HB3 H 2.11 0.05 2 80 . 13 GLN CG C 34.33 0.50 1 81 . 13 GLN HG3 H 2.35 0.05 1 82 . 13 GLN HG2 H 2.35 0.05 1 83 . 13 GLN CD C 180.43 0.50 1 84 . 13 GLN NE2 N 112.40 0.70 1 85 . 13 GLN HE22 H 7.48 0.05 2 86 . 13 GLN HE21 H 6.83 0.05 2 87 . 14 GLY N N 109.85 0.70 1 88 . 14 GLY H H 8.44 0.02 1 89 . 14 GLY C C 174.62 0.50 1 90 . 14 GLY CA C 45.99 0.50 1 91 . 14 GLY HA3 H 3.97 0.05 1 92 . 14 GLY HA2 H 3.97 0.05 1 93 . 15 GLY N N 108.69 0.70 1 94 . 15 GLY H H 8.25 0.02 1 95 . 15 GLY C C 173.88 0.50 1 96 . 15 GLY CA C 45.64 0.50 1 97 . 15 GLY HA3 H 3.93 0.05 1 98 . 15 GLY HA2 H 3.93 0.05 1 99 . 16 ALA N N 123.17 0.70 1 100 . 16 ALA H H 8.15 0.02 1 101 . 16 ALA C C 177.41 0.50 1 102 . 16 ALA CA C 52.94 0.50 1 103 . 16 ALA HA H 4.22 0.05 1 104 . 16 ALA CB C 19.79 0.50 1 105 . 16 ALA HB H 1.25 0.05 1 106 . 17 HIS N N 117.55 0.70 1 107 . 17 HIS H H 8.34 0.02 1 108 . 17 HIS C C 174.31 0.50 1 109 . 17 HIS CA C 55.69 0.50 1 110 . 17 HIS HA H 4.62 0.05 1 111 . 17 HIS CB C 30.06 0.50 1 112 . 17 HIS HB3 H 3.09 0.05 1 113 . 17 HIS HB2 H 3.09 0.05 1 114 . 18 PHE N N 121.41 0.70 1 115 . 18 PHE H H 8.17 0.02 1 116 . 18 PHE C C 175.40 0.50 1 117 . 18 PHE CA C 58.18 0.50 1 118 . 18 PHE HA H 4.63 0.05 1 119 . 18 PHE CB C 40.31 0.50 1 120 . 18 PHE HB3 H 3.09 0.05 2 121 . 18 PHE HB2 H 2.99 0.05 2 122 . 18 PHE HD2 H 7.19 0.05 1 123 . 18 PHE HD1 H 7.19 0.05 1 124 . 19 SER N N 117.80 0.70 1 125 . 19 SER H H 8.25 0.02 1 126 . 19 SER C C 174.32 0.50 1 127 . 19 SER CA C 58.21 0.50 1 128 . 19 SER HA H 4.46 0.05 1 129 . 19 SER CB C 64.56 0.50 1 130 . 19 SER HB3 H 3.80 0.05 1 131 . 19 SER HB2 H 3.80 0.05 1 132 . 20 VAL N N 121.49 0.70 1 133 . 20 VAL H H 8.22 0.02 1 134 . 20 VAL C C 176.39 0.50 1 135 . 20 VAL CA C 62.93 0.50 1 136 . 20 VAL HA H 4.14 0.05 1 137 . 20 VAL CB C 33.34 0.50 1 138 . 20 VAL HB H 2.11 0.05 1 139 . 20 VAL CG1 C 21.36 0.50 1 140 . 20 VAL HG1 H 0.94 0.05 2 141 . 21 SER N N 118.55 0.70 1 142 . 21 SER H H 8.34 0.02 1 143 . 21 SER C C 174.81 0.50 1 144 . 21 SER CA C 58.94 0.50 1 145 . 21 SER HA H 4.46 0.05 1 146 . 21 SER CB C 64.30 0.50 1 147 . 21 SER HB3 H 3.85 0.05 1 148 . 21 SER HB2 H 3.85 0.05 1 149 . 22 SER N N 117.80 0.70 1 150 . 22 SER H H 8.27 0.02 1 151 . 22 SER C C 174.67 0.50 1 152 . 22 SER CA C 58.94 0.50 1 153 . 22 SER HA H 4.44 0.05 1 154 . 22 SER CB C 64.25 0.50 1 155 . 22 SER HB3 H 3.88 0.05 1 156 . 22 SER HB2 H 3.88 0.05 1 157 . 23 LEU N N 123.40 0.70 1 158 . 23 LEU H H 8.13 0.02 1 159 . 23 LEU C C 177.33 0.50 1 160 . 23 LEU CA C 55.74 0.50 1 161 . 23 LEU HA H 4.32 0.05 1 162 . 23 LEU CB C 42.84 0.50 1 163 . 23 LEU HB3 H 1.59 0.05 1 164 . 23 LEU HB2 H 1.59 0.05 1 165 . 23 LEU CG C 27.57 0.50 1 166 . 23 LEU CD1 C 25.52 0.50 1 167 . 23 LEU CD2 C 24.04 0.50 1 168 . 23 LEU HD2 H 0.86 0.05 2 169 . 24 ALA N N 124.04 0.70 1 170 . 24 ALA H H 8.15 0.02 1 171 . 24 ALA C C 177.97 0.50 1 172 . 24 ALA CA C 52.96 0.50 1 173 . 24 ALA HA H 4.26 0.05 1 174 . 24 ALA CB C 19.69 0.50 1 175 . 24 ALA HB H 1.37 0.05 1 176 . 25 GLU N N 119.98 0.70 1 177 . 25 GLU H H 8.29 0.02 1 178 . 25 GLU C C 177.19 0.50 1 179 . 25 GLU CA C 57.58 0.50 1 180 . 25 GLU HA H 4.22 0.05 1 181 . 25 GLU CB C 30.75 0.50 1 182 . 25 GLU HB2 H 2.00 0.05 2 183 . 25 GLU HB3 H 2.28 0.05 2 184 . 25 GLU CG C 36.75 0.50 1 185 . 25 GLU HG3 H 0.00 0.05 1 186 . 25 GLU HG2 H 0.00 0.05 1 187 . 26 GLY N N 109.31 0.70 1 188 . 26 GLY H H 8.35 0.02 1 189 . 26 GLY C C 174.21 0.50 1 190 . 26 GLY CA C 45.98 0.50 1 191 . 26 GLY HA3 H 3.95 0.05 1 192 . 26 GLY HA2 H 3.95 0.05 1 193 . 27 SER N N 115.17 0.70 1 194 . 27 SER H H 8.09 0.02 1 195 . 27 SER C C 174.60 0.50 1 196 . 27 SER CA C 58.74 0.50 1 197 . 27 SER HA H 4.48 0.05 1 198 . 27 SER CB C 64.40 0.50 1 199 . 27 SER HB3 H 3.85 0.05 1 200 . 27 SER HB2 H 3.85 0.05 1 201 . 28 VAL N N 121.65 0.70 1 202 . 28 VAL H H 8.10 0.02 1 203 . 28 VAL C C 176.21 0.50 1 204 . 28 VAL CA C 62.91 0.50 1 205 . 28 VAL HA H 4.21 0.05 1 206 . 28 VAL CB C 33.35 0.50 1 207 . 28 VAL HB H 2.09 0.05 1 208 . 28 VAL CG1 C 21.43 0.50 1 209 . 28 VAL HG1 H 0.92 0.05 2 210 . 29 THR N N 115.59 0.70 1 211 . 29 THR H H 8.43 0.02 1 212 . 29 THR C C 174.27 0.50 1 213 . 29 THR CA C 62.02 0.50 1 214 . 29 THR HA H 4.38 0.05 1 215 . 29 THR CB C 70.34 0.50 1 216 . 29 THR HB H 4.30 0.05 1 217 . 29 THR CG2 C 21.55 0.50 1 218 . 29 THR HG2 H 1.14 0.05 1 219 . 30 SER N N 116.70 0.70 1 220 . 30 SER H H 8.02 0.02 1 221 . 30 SER C C 173.77 0.50 1 222 . 30 SER CA C 58.25 0.50 1 223 . 30 SER HA H 4.54 0.05 1 224 . 30 SER CB C 64.76 0.50 1 225 . 30 SER HB3 H 3.85 0.05 1 226 . 30 SER HB2 H 3.85 0.05 1 227 . 31 VAL N N 120.60 0.70 1 228 . 31 VAL H H 8.40 0.02 1 229 . 31 VAL C C 176.39 0.50 1 230 . 31 VAL CA C 63.66 0.50 1 231 . 31 VAL HA H 3.97 0.05 1 232 . 31 VAL CB C 32.62 0.50 1 233 . 31 VAL HB H 2.09 0.05 1 234 . 31 VAL CG1 C 22.28 0.50 1 235 . 31 VAL HG1 H 0.96 0.05 2 236 . 32 GLY N N 114.30 0.70 1 237 . 32 GLY H H 8.60 0.02 1 238 . 32 GLY C C 173.06 0.50 1 239 . 32 GLY CA C 44.44 0.50 1 240 . 32 GLY HA3 H 4.21 0.05 2 241 . 32 GLY HA2 H 3.89 0.05 2 242 . 33 SER N N 111.32 0.70 1 243 . 33 SER H H 8.12 0.02 1 244 . 33 SER C C 174.88 0.50 1 245 . 33 SER CA C 59.17 0.50 1 246 . 33 SER HA H 4.17 0.05 1 247 . 33 SER CB C 64.54 0.50 1 248 . 33 SER HB3 H 3.88 0.05 2 249 . 33 SER HB2 H 4.01 0.05 2 250 . 34 VAL N N 122.30 0.70 1 251 . 34 VAL H H 7.88 0.02 1 252 . 34 VAL C C 175.88 0.50 1 253 . 34 VAL CA C 64.92 0.50 1 254 . 34 VAL HA H 3.97 0.05 1 255 . 34 VAL CB C 33.02 0.50 1 256 . 34 VAL HB H 2.00 0.05 1 257 . 34 VAL CG1 C 21.60 0.50 1 258 . 34 VAL HG1 H 0.91 0.05 2 259 . 35 ASN N N 119.96 0.70 1 260 . 35 ASN H H 8.81 0.02 1 261 . 35 ASN C C 172.62 0.50 1 262 . 35 ASN CA C 51.23 0.50 1 263 . 35 ASN HA H 5.10 0.05 1 264 . 35 ASN CB C 39.34 0.50 1 265 . 35 ASN HB2 H 3.09 0.05 1 266 . 35 ASN HB3 H 2.67 0.05 1 267 . 35 ASN CG C 177.80 0.50 1 268 . 35 ASN ND2 N 113.68 0.70 1 269 . 35 ASN HD22 H 7.08 0.05 2 270 . 35 ASN HD21 H 7.71 0.05 2 271 . 36 PRO C C 178.53 0.50 1 272 . 36 PRO CA C 65.56 0.50 1 273 . 36 PRO HA H 4.22 0.05 1 274 . 36 PRO CB C 31.32 0.50 1 275 . 36 PRO HB3 H 2.21 0.05 2 276 . 36 PRO HB2 H 1.96 0.05 2 277 . 36 PRO CG C 27.90 0.50 1 278 . 36 PRO HG3 H 1.78 0.05 1 279 . 36 PRO HG2 H 1.78 0.05 1 280 . 36 PRO CD C 50.38 0.50 1 281 . 36 PRO HD3 H 3.81 0.05 2 282 . 36 PRO HD2 H 3.54 0.05 2 283 . 37 ALA N N 120.34 0.70 1 284 . 37 ALA H H 8.23 0.02 1 285 . 37 ALA C C 178.66 0.50 1 286 . 37 ALA CA C 56.65 0.50 1 287 . 37 ALA HA H 3.98 0.05 1 288 . 37 ALA CB C 19.18 0.50 1 289 . 37 ALA HB H 1.51 0.05 1 290 . 38 GLU N N 116.48 0.70 1 291 . 38 GLU H H 7.53 0.02 1 292 . 38 GLU C C 179.04 0.50 1 293 . 38 GLU CA C 56.92 0.50 1 294 . 38 GLU HA H 4.11 0.05 1 295 . 38 GLU CB C 29.71 0.50 1 296 . 38 GLU HB3 H 2.35 0.05 2 297 . 38 GLU HB2 H 2.00 0.05 2 298 . 38 GLU CG C 36.46 0.50 1 299 . 38 GLU HG3 H 2.98 0.05 1 300 . 38 GLU HG2 H 2.98 0.05 1 301 . 39 ASN N N 116.52 0.70 1 302 . 39 ASN H H 8.28 0.02 1 303 . 39 ASN C C 176.41 0.50 1 304 . 39 ASN CA C 56.51 0.50 1 305 . 39 ASN HA H 4.32 0.05 1 306 . 39 ASN CB C 39.84 0.50 1 307 . 39 ASN HB3 H 2.84 0.05 1 308 . 39 ASN HB2 H 2.84 0.05 1 309 . 39 ASN ND2 N 112.63 0.70 1 310 . 39 ASN HD22 H 7.75 0.05 2 311 . 39 ASN HD21 H 7.19 0.05 2 312 . 40 PHE N N 118.38 0.70 1 313 . 40 PHE H H 8.11 0.02 1 314 . 40 PHE C C 174.88 0.50 1 315 . 40 PHE CA C 61.65 0.50 1 316 . 40 PHE HA H 4.03 0.05 1 317 . 40 PHE CB C 40.12 0.50 1 318 . 40 PHE HB3 H 3.29 0.05 2 319 . 40 PHE HB2 H 3.13 0.05 2 320 . 40 PHE HD2 H 6.62 0.05 1 321 . 40 PHE HD1 H 6.62 0.05 1 322 . 40 PHE HE2 H 6.86 0.05 1 323 . 40 PHE HE1 H 6.86 0.05 1 324 . 41 ARG N N 116.50 0.70 1 325 . 41 ARG H H 7.66 0.02 1 326 . 41 ARG C C 178.57 0.50 1 327 . 41 ARG CA C 60.93 0.50 1 328 . 41 ARG HA H 3.40 0.05 1 329 . 41 ARG CB C 31.27 0.50 1 330 . 41 ARG HB3 H 1.74 0.05 1 331 . 41 ARG HB2 H 1.98 0.05 1 332 . 41 ARG CG C 29.92 0.50 1 333 . 41 ARG HG3 H 2.21 0.05 1 334 . 41 ARG HG2 H 2.21 0.05 1 335 . 41 ARG CD C 44.67 0.50 1 336 . 41 ARG HD3 H 3.35 0.05 2 337 . 41 ARG HD2 H 3.20 0.05 2 338 . 42 VAL N N 117.54 0.70 1 339 . 42 VAL H H 7.85 0.02 1 340 . 42 VAL C C 177.88 0.50 1 341 . 42 VAL CA C 66.82 0.50 1 342 . 42 VAL HA H 3.56 0.05 1 343 . 42 VAL CB C 32.34 0.50 1 344 . 42 VAL HB H 2.10 0.05 1 345 . 42 VAL CG1 C 23.50 0.50 1 346 . 42 VAL HG1 H 1.10 0.05 2 347 . 42 VAL CG2 C 21.73 0.50 1 348 . 42 VAL HG2 H 0.87 0.05 2 349 . 43 LEU N N 119.19 0.70 1 350 . 43 LEU H H 8.00 0.02 1 351 . 43 LEU C C 179.85 0.50 1 352 . 43 LEU CA C 58.87 0.50 1 353 . 43 LEU HA H 3.76 0.05 1 354 . 43 LEU CB C 42.91 0.50 1 355 . 43 LEU HB3 H 1.68 0.05 1 356 . 43 LEU HB2 H 1.12 0.05 1 357 . 43 LEU CG C 26.39 0.50 1 358 . 43 LEU CD1 C 24.38 0.50 1 359 . 43 LEU HD1 H 0.65 0.05 1 360 . 43 LEU CD2 C 26.39 0.50 1 361 . 43 LEU HD2 H 0.65 0.05 1 362 . 44 VAL N N 110.01 0.70 1 363 . 44 VAL H H 7.40 0.02 1 364 . 44 VAL C C 178.75 0.50 1 365 . 44 VAL CA C 64.66 0.50 1 366 . 44 VAL HA H 3.78 0.05 1 367 . 44 VAL CB C 31.35 0.50 1 368 . 44 VAL HB H 1.59 0.05 1 369 . 44 VAL CG1 C 23.37 0.50 1 370 . 44 VAL HG1 H 0.13 0.05 2 371 . 44 VAL CG2 C 20.34 0.50 1 372 . 44 VAL HG2 H 0.37 0.05 2 373 . 45 LYS N N 120.82 0.70 1 374 . 45 LYS H H 7.98 0.02 1 375 . 45 LYS C C 178.64 0.50 1 376 . 45 LYS CA C 59.73 0.50 1 377 . 45 LYS HA H 4.20 0.05 1 378 . 45 LYS CB C 33.29 0.50 1 379 . 45 LYS HB3 H 1.99 0.05 1 380 . 45 LYS HB2 H 1.99 0.05 1 381 . 45 LYS CG C 25.94 0.50 1 382 . 45 LYS HG3 H 1.43 0.05 1 383 . 45 LYS HG2 H 1.43 0.05 1 384 . 45 LYS CD C 29.73 0.50 1 385 . 45 LYS HD3 H 1.78 0.05 1 386 . 45 LYS HD2 H 1.78 0.05 1 387 . 45 LYS CE C 42.53 0.50 1 388 . 45 LYS HE3 H 3.00 0.05 1 389 . 45 LYS HE2 H 3.00 0.05 1 390 . 46 GLN N N 114.63 0.70 1 391 . 46 GLN H H 8.03 0.02 1 392 . 46 GLN C C 175.50 0.50 1 393 . 46 GLN CA C 56.58 0.50 1 394 . 46 GLN HA H 4.30 0.05 1 395 . 46 GLN CB C 28.90 0.50 1 396 . 46 GLN HB2 H 1.99 0.05 2 397 . 46 GLN HB3 H 2.24 0.05 2 398 . 46 GLN CG C 34.91 0.50 1 399 . 46 GLN HG3 H 2.57 0.05 2 400 . 46 GLN HG2 H 2.41 0.05 2 401 . 46 GLN CD C 179.85 0.50 1 402 . 46 GLN NE2 N 111.03 0.70 1 403 . 46 GLN HE22 H 6.81 0.05 2 404 . 46 GLN HE21 H 7.40 0.05 2 405 . 47 LYS N N 115.73 0.70 1 406 . 47 LYS H H 7.67 0.02 1 407 . 47 LYS C C 176.32 0.50 1 408 . 47 LYS CA C 60.21 0.50 1 409 . 47 LYS HA H 4.10 0.05 1 410 . 47 LYS CB C 33.38 0.50 1 411 . 47 LYS HB3 H 2.00 0.05 1 412 . 47 LYS HB2 H 2.00 0.05 1 413 . 47 LYS HG3 H 1.44 0.05 1 414 . 47 LYS HG2 H 1.44 0.05 1 415 . 48 LYS H H 8.30 0.02 1 416 . 48 LYS C C 176.18 0.50 1 417 . 48 LYS CA C 57.35 0.50 1 418 . 48 LYS HA H 4.21 0.05 1 419 . 48 LYS CB C 33.39 0.50 1 420 . 48 LYS HB3 H 1.94 0.05 1 421 . 48 LYS HB2 H 1.94 0.05 1 422 . 48 LYS CG C 25.84 0.50 1 423 . 48 LYS HG3 H 1.41 0.05 1 424 . 48 LYS HG2 H 1.41 0.05 1 425 . 48 LYS CD C 29.34 0.50 1 426 . 48 LYS HD3 H 1.65 0.05 1 427 . 48 LYS HD2 H 1.65 0.05 1 428 . 48 LYS CE C 42.63 0.50 1 429 . 48 LYS HE3 H 2.97 0.05 1 430 . 48 LYS HE2 H 2.97 0.05 1 431 . 49 ALA N N 119.68 0.70 1 432 . 49 ALA H H 7.67 0.02 1 433 . 49 ALA C C 176.22 0.50 1 434 . 49 ALA CA C 51.31 0.50 1 435 . 49 ALA HA H 4.44 0.05 1 436 . 49 ALA CB C 22.71 0.50 1 437 . 49 ALA HB H 1.22 0.05 1 438 . 50 SER N N 115.62 0.70 1 439 . 50 SER H H 8.64 0.02 1 440 . 50 SER C C 174.12 0.50 1 441 . 50 SER CA C 57.73 0.50 1 442 . 50 SER HA H 4.40 0.05 1 443 . 50 SER CB C 64.65 0.50 1 444 . 50 SER HB2 H 4.03 0.05 1 445 . 50 SER HB3 H 4.34 0.05 1 446 . 51 PHE N N 124.10 0.70 1 447 . 51 PHE H H 9.19 0.02 1 448 . 51 PHE C C 179.48 0.50 1 449 . 51 PHE CA C 62.56 0.50 1 450 . 51 PHE HA H 3.62 0.05 1 451 . 51 PHE CB C 39.67 0.50 1 452 . 51 PHE HB3 H 3.03 0.05 1 453 . 51 PHE HB2 H 3.03 0.05 1 454 . 51 PHE HD2 H 6.77 0.05 1 455 . 51 PHE HD1 H 6.77 0.05 1 456 . 52 GLU N N 121.24 0.70 1 457 . 52 GLU H H 9.20 0.02 1 458 . 52 GLU C C 176.45 0.50 1 459 . 52 GLU CA C 60.93 0.50 1 460 . 52 GLU HA H 3.65 0.05 1 461 . 52 GLU CB C 30.65 0.50 1 462 . 52 GLU HB3 H 1.97 0.05 1 463 . 52 GLU HB2 H 2.13 0.05 1 464 . 52 GLU CG C 36.15 0.50 1 465 . 53 GLU N N 119.73 0.70 1 466 . 53 GLU H H 7.95 0.02 1 467 . 53 GLU C C 179.22 0.50 1 468 . 53 GLU CA C 59.74 0.50 1 469 . 53 GLU HA H 4.01 0.05 1 470 . 53 GLU CB C 30.24 0.50 1 471 . 53 GLU HB2 H 1.93 0.05 2 472 . 53 GLU HB3 H 2.10 0.05 2 473 . 53 GLU CG C 36.54 0.50 1 474 . 53 GLU HG3 H 2.23 0.05 1 475 . 53 GLU HG2 H 2.23 0.05 1 476 . 54 ALA N N 120.18 0.70 1 477 . 54 ALA H H 8.55 0.02 1 478 . 54 ALA C C 180.47 0.50 1 479 . 54 ALA CA C 55.42 0.50 1 480 . 54 ALA HA H 3.83 0.05 1 481 . 54 ALA CB C 19.49 0.50 1 482 . 54 ALA HB H 1.10 0.05 1 483 . 55 SER N N 113.43 0.70 1 484 . 55 SER H H 8.67 0.02 1 485 . 55 SER C C 175.30 0.50 1 486 . 55 SER CA C 62.42 0.50 1 487 . 55 SER HA H 3.36 0.05 1 488 . 55 SER CB C 62.43 0.50 1 489 . 55 SER HB2 H 3.11 0.05 2 490 . 55 SER HB3 H 3.16 0.05 2 491 . 56 ASN N N 123.36 0.70 1 492 . 56 ASN H H 8.22 0.02 1 493 . 56 ASN C C 178.50 0.50 1 494 . 56 ASN CA C 56.51 0.50 1 495 . 56 ASN HA H 4.38 0.05 1 496 . 56 ASN CB C 37.69 0.50 1 497 . 56 ASN HB3 H 2.97 0.05 1 498 . 56 ASN HB2 H 2.70 0.05 1 499 . 56 ASN ND2 N 111.83 0.70 1 500 . 56 ASN HD22 H 7.57 0.05 2 501 . 56 ASN HD21 H 7.06 0.05 2 502 . 57 GLN N N 119.06 0.70 1 503 . 57 GLN H H 7.62 0.02 1 504 . 57 GLN C C 178.59 0.50 1 505 . 57 GLN CA C 59.00 0.50 1 506 . 57 GLN HA H 3.99 0.05 1 507 . 57 GLN CB C 29.23 0.50 1 508 . 57 GLN HB3 H 2.12 0.05 1 509 . 57 GLN HB2 H 2.12 0.05 1 510 . 57 GLN CG C 34.18 0.50 1 511 . 57 GLN HG3 H 2.60 0.05 2 512 . 57 GLN HG2 H 2.30 0.05 2 513 . 57 GLN CD C 179.53 0.50 1 514 . 57 GLN NE2 N 111.15 0.70 1 515 . 57 GLN HE22 H 7.53 0.05 2 516 . 57 GLN HE21 H 6.90 0.05 2 517 . 58 LEU N N 121.44 0.70 1 518 . 58 LEU H H 7.71 0.02 1 519 . 58 LEU C C 178.40 0.50 1 520 . 58 LEU CA C 58.85 0.50 1 521 . 58 LEU HA H 3.89 0.05 1 522 . 58 LEU CB C 42.97 0.50 1 523 . 58 LEU HB3 H 1.43 0.05 1 524 . 58 LEU HB2 H 1.43 0.05 1 525 . 58 LEU CG C 26.42 0.50 1 526 . 58 LEU HG H 1.08 0.05 1 527 . 58 LEU CD1 C 24.64 0.50 1 528 . 58 LEU HD1 H -0.22 0.05 2 529 . 58 LEU CD2 C 24.50 0.50 1 530 . 58 LEU HD2 H 0.65 0.05 2 531 . 59 ILE N N 119.55 0.70 1 532 . 59 ILE H H 8.57 0.02 1 533 . 59 ILE C C 177.24 0.50 1 534 . 59 ILE CA C 66.59 0.50 1 535 . 59 ILE HA H 3.25 0.05 1 536 . 59 ILE CB C 38.86 0.50 1 537 . 59 ILE HB H 1.74 0.05 1 538 . 59 ILE CG1 C 29.73 0.50 1 539 . 59 ILE HG12 H 0.92 0.05 2 540 . 59 ILE CG2 C 17.54 0.50 1 541 . 59 ILE HG2 H 0.94 0.05 1 542 . 59 ILE CD1 C 14.22 0.50 1 543 . 59 ILE HD1 H 0.79 0.05 1 544 . 60 ASN N N 117.30 0.70 1 545 . 60 ASN H H 7.52 0.02 1 546 . 60 ASN C C 178.12 0.50 1 547 . 60 ASN CA C 57.07 0.50 1 548 . 60 ASN HA H 4.36 0.05 1 549 . 60 ASN CB C 38.64 0.50 1 550 . 60 ASN HB3 H 2.72 0.05 1 551 . 60 ASN HB2 H 2.58 0.05 1 552 . 60 ASN CG C 175.73 0.50 1 553 . 60 ASN ND2 N 111.90 0.70 1 554 . 60 ASN HD22 H 7.37 0.05 2 555 . 60 ASN HD21 H 6.69 0.05 2 556 . 61 HIS N N 116.94 0.70 1 557 . 61 HIS H H 7.46 0.02 1 558 . 61 HIS C C 176.16 0.50 1 559 . 61 HIS CA C 60.31 0.50 1 560 . 61 HIS HA H 3.99 0.05 1 561 . 61 HIS CB C 29.25 0.50 1 562 . 61 HIS HB3 H 3.08 0.05 1 563 . 61 HIS HB2 H 2.41 0.05 1 564 . 61 HIS HE1 H 7.24 0.05 1 565 . 62 ILE N N 118.92 0.70 1 566 . 62 ILE H H 8.36 0.02 1 567 . 62 ILE C C 177.42 0.50 1 568 . 62 ILE CA C 66.86 0.50 1 569 . 62 ILE HA H 3.62 0.05 1 570 . 62 ILE CB C 38.62 0.50 1 571 . 62 ILE HB H 2.19 0.05 1 572 . 62 ILE CG1 C 31.40 0.50 1 573 . 62 ILE CG2 C 17.14 0.50 1 574 . 62 ILE HG2 H 1.10 0.05 1 575 . 62 ILE CD1 C 15.06 0.50 1 576 . 62 ILE HD1 H 0.79 0.05 1 577 . 63 GLU N N 116.99 0.70 1 578 . 63 GLU H H 8.39 0.02 1 579 . 63 GLU C C 178.67 0.50 1 580 . 63 GLU CA C 60.97 0.50 1 581 . 63 GLU HA H 3.77 0.05 1 582 . 63 GLU CB C 29.89 0.50 1 583 . 63 GLU HB3 H 2.03 0.05 1 584 . 63 GLU HB2 H 2.03 0.05 1 585 . 63 GLU CG C 37.30 0.50 1 586 . 63 GLU HG3 H 2.54 0.05 2 587 . 63 GLU HG2 H 2.12 0.05 2 588 . 64 GLN N N 117.92 0.70 1 589 . 64 GLN H H 7.53 0.02 1 590 . 64 GLN C C 179.78 0.50 1 591 . 64 GLN CA C 59.36 0.50 1 592 . 64 GLN HA H 4.03 0.05 1 593 . 64 GLN CB C 29.09 0.50 1 594 . 64 GLN HB2 H 2.04 0.05 2 595 . 64 GLN HB3 H 2.47 0.05 2 596 . 64 GLN CG C 34.63 0.50 1 597 . 64 GLN HG3 H 2.29 0.05 1 598 . 64 GLN HG2 H 2.29 0.05 1 599 . 64 GLN CD C 180.25 0.50 1 600 . 64 GLN NE2 N 111.53 0.70 1 601 . 64 GLN HE22 H 7.21 0.05 2 602 . 64 GLN HE21 H 6.63 0.05 2 603 . 65 PHE N N 119.08 0.70 1 604 . 65 PHE H H 8.57 0.02 1 605 . 65 PHE C C 179.68 0.50 1 606 . 65 PHE CA C 57.41 0.50 1 607 . 65 PHE HA H 4.58 0.05 1 608 . 65 PHE CB C 37.56 0.50 1 609 . 65 PHE HB3 H 3.79 0.05 2 610 . 65 PHE HB2 H 3.42 0.05 2 611 . 65 PHE HD2 H 7.26 0.05 1 612 . 65 PHE HD1 H 7.26 0.05 1 613 . 65 PHE HE2 H 6.86 0.05 1 614 . 65 PHE HE1 H 6.86 0.05 1 615 . 66 LEU N N 120.80 0.70 1 616 . 66 LEU H H 8.68 0.02 1 617 . 66 LEU C C 179.37 0.50 1 618 . 66 LEU CA C 58.46 0.50 1 619 . 66 LEU HA H 4.13 0.05 1 620 . 66 LEU CB C 41.51 0.50 1 621 . 66 LEU HB3 H 1.84 0.05 1 622 . 66 LEU HB2 H 1.31 0.05 1 623 . 66 LEU CG C 27.00 0.50 1 624 . 66 LEU HG H 1.89 0.05 1 625 . 66 LEU CD1 C 26.14 0.50 1 626 . 66 LEU HD1 H 0.43 0.05 2 627 . 66 LEU CD2 C 22.54 0.50 1 628 . 66 LEU HD2 H 0.01 0.05 2 629 . 67 ASP N N 117.40 0.70 1 630 . 67 ASP H H 7.70 0.02 1 631 . 67 ASP C C 177.69 0.50 1 632 . 67 ASP CA C 56.69 0.50 1 633 . 67 ASP HA H 4.56 0.05 1 634 . 67 ASP CB C 41.33 0.50 1 635 . 67 ASP HB3 H 2.76 0.05 1 636 . 67 ASP HB2 H 2.76 0.05 1 637 . 68 THR N N 108.54 0.70 1 638 . 68 THR H H 7.37 0.02 1 639 . 68 THR C C 176.39 0.50 1 640 . 68 THR CA C 64.56 0.50 1 641 . 68 THR HA H 4.06 0.05 1 642 . 68 THR CB C 70.58 0.50 1 643 . 68 THR HB H 4.06 0.05 1 644 . 68 THR CG2 C 20.56 0.50 1 645 . 68 THR HG2 H 0.98 0.05 1 646 . 69 ASN N N 114.58 0.70 1 647 . 69 ASN H H 7.94 0.02 1 648 . 69 ASN C C 174.11 0.50 1 649 . 69 ASN CA C 55.07 0.50 1 650 . 69 ASN HA H 4.60 0.05 1 651 . 69 ASN CB C 39.62 0.50 1 652 . 69 ASN HB3 H 3.36 0.05 1 653 . 69 ASN HB2 H 2.69 0.05 1 654 . 69 ASN CG C 178.13 0.50 1 655 . 69 ASN ND2 N 110.44 0.70 1 656 . 69 ASN HD22 H 6.83 0.05 2 657 . 69 ASN HD21 H 7.50 0.05 2 658 . 70 GLU N N 116.24 0.70 1 659 . 70 GLU H H 7.43 0.02 1 660 . 70 GLU C C 176.63 0.50 1 661 . 70 GLU CA C 55.15 0.50 1 662 . 70 GLU HA H 4.59 0.05 1 663 . 70 GLU CB C 33.86 0.50 1 664 . 70 GLU HB3 H 2.07 0.05 1 665 . 70 GLU HB2 H 2.07 0.05 1 666 . 70 GLU CG C 36.44 0.50 1 667 . 70 GLU HG3 H 2.41 0.05 2 668 . 70 GLU HG2 H 2.24 0.05 2 669 . 71 THR N N 120.36 0.70 1 670 . 71 THR H H 8.88 0.02 1 671 . 71 THR C C 176.61 0.50 1 672 . 71 THR CA C 60.14 0.50 1 673 . 71 THR HA H 4.65 0.05 1 674 . 71 THR CB C 68.80 0.50 1 675 . 71 THR HB H 3.76 0.05 1 676 . 71 THR CG2 C 23.79 0.50 1 677 . 71 THR HG2 H 1.34 0.05 1 678 . 72 PRO C C 179.85 0.50 1 679 . 72 PRO CA C 67.11 0.50 1 680 . 72 PRO HA H 4.26 0.05 1 681 . 72 PRO CB C 31.30 0.50 1 682 . 72 PRO HB3 H 2.17 0.05 2 683 . 72 PRO HB2 H 1.37 0.05 2 684 . 72 PRO CG C 28.96 0.50 1 685 . 72 PRO HG3 H 1.94 0.05 1 686 . 72 PRO HG2 H 1.94 0.05 1 687 . 72 PRO CD C 50.79 0.50 1 688 . 72 PRO HD3 H 3.75 0.05 2 689 . 72 PRO HD2 H 3.66 0.05 2 690 . 73 TYR N N 115.01 0.70 1 691 . 73 TYR H H 6.96 0.02 1 692 . 73 TYR C C 179.67 0.50 1 693 . 73 TYR CA C 61.99 0.50 1 694 . 73 TYR HA H 4.03 0.05 1 695 . 73 TYR CB C 38.60 0.50 1 696 . 73 TYR HB3 H 3.13 0.05 1 697 . 73 TYR HB2 H 3.13 0.05 1 698 . 73 TYR HE2 H 6.86 0.05 1 699 . 73 TYR HE1 H 6.86 0.05 1 700 . 73 TYR HD2 H 7.26 0.05 1 701 . 73 TYR HD1 H 7.26 0.05 1 702 . 74 PHE N N 123.82 0.70 1 703 . 74 PHE H H 8.37 0.02 1 704 . 74 PHE C C 179.08 0.50 1 705 . 74 PHE CA C 58.24 0.50 1 706 . 74 PHE HA H 4.76 0.05 1 707 . 74 PHE CB C 37.35 0.50 1 708 . 74 PHE HB3 H 3.44 0.05 1 709 . 74 PHE HB2 H 4.02 0.05 1 710 . 74 PHE HD2 H 7.13 0.05 1 711 . 74 PHE HD1 H 7.13 0.05 1 712 . 74 PHE HE2 H 7.60 0.05 1 713 . 74 PHE HE1 H 7.60 0.05 1 714 . 75 MET N N 117.49 0.70 1 715 . 75 MET H H 8.39 0.02 1 716 . 75 MET C C 179.63 0.50 1 717 . 75 MET CA C 58.34 0.50 1 718 . 75 MET HA H 4.47 0.05 1 719 . 75 MET CB C 30.06 0.50 1 720 . 75 MET HB2 H 2.14 0.05 2 721 . 75 MET HB3 H 2.23 0.05 2 722 . 75 MET CG C 32.37 0.50 1 723 . 75 MET HG3 H 2.82 0.05 1 724 . 75 MET HG2 H 2.82 0.05 1 725 . 76 LYS N N 120.67 0.70 1 726 . 76 LYS H H 7.62 0.02 1 727 . 76 LYS C C 180.04 0.50 1 728 . 76 LYS CA C 60.25 0.50 1 729 . 76 LYS HA H 4.26 0.05 1 730 . 76 LYS CB C 33.35 0.50 1 731 . 76 LYS HB3 H 1.60 0.05 2 732 . 76 LYS HB2 H 1.52 0.05 2 733 . 76 LYS CG C 25.65 0.50 1 734 . 76 LYS HG2 H 1.33 0.05 2 735 . 76 LYS HG3 H 1.51 0.05 2 736 . 76 LYS CD C 29.75 0.50 1 737 . 76 LYS HD3 H 1.27 0.05 2 738 . 76 LYS HD2 H 1.10 0.05 2 739 . 76 LYS CE C 42.24 0.50 1 740 . 76 LYS HE3 H 2.70 0.05 1 741 . 76 LYS HE2 H 2.70 0.05 1 742 . 77 SER N N 116.75 0.70 1 743 . 77 SER H H 8.25 0.02 1 744 . 77 SER C C 176.43 0.50 1 745 . 77 SER CA C 64.40 0.50 1 746 . 77 SER HA H 4.44 0.05 1 747 . 77 SER CB C 63.31 0.50 1 748 . 77 SER HB3 H 4.04 0.05 1 749 . 77 SER HB2 H 4.73 0.05 1 750 . 78 ILE N N 123.59 0.70 1 751 . 78 ILE H H 8.25 0.02 1 752 . 78 ILE C C 177.69 0.50 1 753 . 78 ILE CA C 64.34 0.50 1 754 . 78 ILE HA H 3.89 0.05 1 755 . 78 ILE CB C 36.05 0.50 1 756 . 78 ILE HB H 2.47 0.05 1 757 . 78 ILE CG1 C 28.24 0.50 1 758 . 78 ILE HG12 H 1.65 0.05 1 759 . 78 ILE HG13 H 1.79 0.05 1 760 . 78 ILE CG2 C 17.58 0.50 1 761 . 78 ILE HG2 H 0.94 0.05 1 762 . 78 ILE CD1 C 11.00 0.50 1 763 . 78 ILE HD1 H 0.59 0.05 1 764 . 79 ASP N N 120.39 0.70 1 765 . 79 ASP H H 7.79 0.02 1 766 . 79 ASP C C 180.03 0.50 1 767 . 79 ASP CA C 58.66 0.50 1 768 . 79 ASP HA H 4.50 0.05 1 769 . 79 ASP CB C 40.88 0.50 1 770 . 79 ASP HB3 H 3.07 0.05 1 771 . 79 ASP HB2 H 2.82 0.05 1 772 . 80 CYS N N 116.29 0.70 1 773 . 80 CYS H H 7.92 0.02 1 774 . 80 CYS C C 175.99 0.50 1 775 . 80 CYS CA C 65.00 0.50 1 776 . 80 CYS HA H 4.09 0.05 1 777 . 80 CYS CB C 28.65 0.50 1 778 . 80 CYS HB2 H 3.10 0.05 1 779 . 80 CYS HB3 H 2.44 0.05 1 780 . 81 ILE N N 121.50 0.70 1 781 . 81 ILE H H 8.83 0.02 1 782 . 81 ILE C C 177.44 0.50 1 783 . 81 ILE CA C 67.28 0.50 1 784 . 81 ILE HA H 3.79 0.05 1 785 . 81 ILE CB C 39.14 0.50 1 786 . 81 ILE HB H 2.23 0.05 1 787 . 81 ILE CG1 C 31.33 0.50 1 788 . 81 ILE CG2 C 19.44 0.50 1 789 . 81 ILE HG2 H 1.33 0.05 1 790 . 81 ILE CD1 C 14.47 0.50 1 791 . 81 ILE HD1 H 1.18 0.05 1 792 . 82 ARG N N 119.32 0.70 1 793 . 82 ARG H H 8.93 0.02 1 794 . 82 ARG C C 178.59 0.50 1 795 . 82 ARG CA C 60.98 0.50 1 796 . 82 ARG HA H 3.91 0.05 1 797 . 82 ARG CB C 30.98 0.50 1 798 . 82 ARG HB3 H 1.96 0.05 1 799 . 82 ARG HB2 H 1.96 0.05 1 800 . 82 ARG CG C 28.88 0.50 1 801 . 82 ARG HG3 H 1.62 0.05 1 802 . 82 ARG HG2 H 1.62 0.05 1 803 . 82 ARG CD C 44.24 0.50 1 804 . 82 ARG HD3 H 3.25 0.05 1 805 . 82 ARG HD2 H 3.25 0.05 1 806 . 83 ALA N N 120.62 0.70 1 807 . 83 ALA H H 7.75 0.02 1 808 . 83 ALA C C 179.02 0.50 1 809 . 83 ALA CA C 56.13 0.50 1 810 . 83 ALA HA H 4.28 0.05 1 811 . 83 ALA CB C 19.18 0.50 1 812 . 83 ALA HB H 1.67 0.05 1 813 . 84 PHE N N 117.89 0.70 1 814 . 84 PHE H H 8.21 0.02 1 815 . 84 PHE C C 177.16 0.50 1 816 . 84 PHE CA C 59.81 0.50 1 817 . 84 PHE HA H 3.70 0.05 1 818 . 84 PHE CB C 38.60 0.50 1 819 . 84 PHE HB3 H 3.07 0.05 1 820 . 84 PHE HB2 H 3.07 0.05 1 821 . 84 PHE HD2 H 7.20 0.05 1 822 . 84 PHE HD1 H 7.20 0.05 1 823 . 85 ARG N N 120.30 0.70 1 824 . 85 ARG H H 8.42 0.02 1 825 . 85 ARG C C 177.28 0.50 1 826 . 85 ARG CA C 60.73 0.50 1 827 . 85 ARG HA H 2.48 0.05 1 828 . 85 ARG CB C 31.66 0.50 1 829 . 85 ARG HB3 H 1.09 0.05 1 830 . 85 ARG HB2 H 1.09 0.05 1 831 . 85 ARG CG C 29.00 0.50 1 832 . 85 ARG HG2 H 1.45 0.05 2 833 . 85 ARG HG3 H 1.65 0.05 2 834 . 85 ARG CD C 43.00 0.50 1 835 . 85 ARG HD3 H 3.20 0.05 1 836 . 85 ARG HD2 H 3.20 0.05 1 837 . 86 GLU N N 114.72 0.70 1 838 . 86 GLU H H 8.01 0.02 1 839 . 86 GLU C C 181.15 0.50 1 840 . 86 GLU CA C 59.81 0.50 1 841 . 86 GLU HA H 3.91 0.05 1 842 . 86 GLU CB C 31.02 0.50 1 843 . 86 GLU HB3 H 2.11 0.05 2 844 . 86 GLU HB2 H 2.58 0.05 2 845 . 86 GLU CG C 36.87 0.50 1 846 . 86 GLU HG3 H 2.00 0.05 2 847 . 86 GLU HG2 H 2.29 0.05 2 848 . 87 GLU N N 116.10 0.70 1 849 . 87 GLU H H 8.65 0.02 1 850 . 87 GLU C C 178.95 0.50 1 851 . 87 GLU CA C 57.98 0.50 1 852 . 87 GLU HA H 4.78 0.05 1 853 . 87 GLU CB C 29.38 0.50 1 854 . 87 GLU HB3 H 2.36 0.05 1 855 . 87 GLU HB2 H 2.69 0.05 1 856 . 87 GLU CG C 35.77 0.50 1 857 . 87 GLU HG3 H 3.01 0.05 2 858 . 87 GLU HG2 H 2.26 0.05 2 859 . 88 ALA N N 122.09 0.70 1 860 . 88 ALA H H 9.31 0.02 1 861 . 88 ALA C C 180.25 0.50 1 862 . 88 ALA CA C 56.23 0.50 1 863 . 88 ALA HA H 3.97 0.05 1 864 . 88 ALA CB C 18.68 0.50 1 865 . 88 ALA HB H 1.47 0.05 1 866 . 89 ILE N N 116.46 0.70 1 867 . 89 ILE H H 7.50 0.02 1 868 . 89 ILE C C 179.04 0.50 1 869 . 89 ILE CA C 66.65 0.50 1 870 . 89 ILE HA H 3.58 0.05 1 871 . 89 ILE CB C 39.05 0.50 1 872 . 89 ILE HB H 1.90 0.05 1 873 . 89 ILE CG1 C 31.43 0.50 1 874 . 89 ILE HG12 H 0.85 0.05 2 875 . 89 ILE CG2 C 17.41 0.50 1 876 . 89 ILE HG2 H 0.96 0.05 1 877 . 89 ILE CD1 C 14.39 0.50 1 878 . 89 ILE HD1 H 0.94 0.05 1 879 . 90 LYS N N 119.67 0.70 1 880 . 90 LYS H H 7.32 0.02 1 881 . 90 LYS C C 178.42 0.50 1 882 . 90 LYS CA C 59.81 0.50 1 883 . 90 LYS HA H 3.95 0.05 1 884 . 90 LYS CB C 32.97 0.50 1 885 . 90 LYS HB2 H 1.70 0.05 1 886 . 90 LYS HB3 H 1.92 0.05 1 887 . 90 LYS CG C 25.46 0.50 1 888 . 90 LYS HG3 H 1.25 0.05 1 889 . 90 LYS HG2 H 1.25 0.05 1 890 . 90 LYS CD C 29.54 0.50 1 891 . 90 LYS HD3 H 1.45 0.05 1 892 . 90 LYS HD2 H 1.45 0.05 1 893 . 90 LYS CE C 42.40 0.50 1 894 . 90 LYS HE3 H 2.90 0.05 1 895 . 90 LYS HE2 H 2.90 0.05 1 896 . 91 PHE N N 114.58 0.70 1 897 . 91 PHE H H 8.23 0.02 1 898 . 91 PHE C C 174.28 0.50 1 899 . 91 PHE CA C 59.30 0.50 1 900 . 91 PHE HA H 4.52 0.05 1 901 . 91 PHE CB C 38.76 0.50 1 902 . 91 PHE HB2 H 3.33 0.05 1 903 . 91 PHE HB3 H 2.43 0.05 1 904 . 91 PHE HD2 H 7.72 0.05 1 905 . 91 PHE HD1 H 7.72 0.05 1 906 . 91 PHE HE2 H 7.57 0.05 1 907 . 91 PHE HE1 H 7.57 0.05 1 908 . 92 SER N N 112.80 0.70 1 909 . 92 SER H H 7.57 0.02 1 910 . 92 SER C C 175.26 0.50 1 911 . 92 SER CA C 60.46 0.50 1 912 . 92 SER HA H 4.44 0.05 1 913 . 92 SER CB C 61.33 0.50 1 914 . 92 SER HB3 H 4.13 0.05 1 915 . 92 SER HB2 H 4.27 0.05 1 916 . 93 GLU N N 120.19 0.70 1 917 . 93 GLU H H 8.90 0.02 1 918 . 93 GLU C C 176.96 0.50 1 919 . 93 GLU CA C 55.01 0.50 1 920 . 93 GLU HA H 4.63 0.05 1 921 . 93 GLU CB C 30.15 0.50 1 922 . 93 GLU HB3 H 0.51 0.05 1 923 . 93 GLU HB2 H 2.41 0.05 1 924 . 93 GLU CG C 33.41 0.50 1 925 . 93 GLU HG3 H 1.84 0.05 1 926 . 93 GLU HG2 H 1.84 0.05 1 927 . 94 GLU N N 121.28 0.70 1 928 . 94 GLU H H 10.01 0.02 1 929 . 94 GLU C C 177.76 0.50 1 930 . 94 GLU CA C 60.39 0.50 1 931 . 94 GLU HA H 3.79 0.05 1 932 . 94 GLU CB C 29.16 0.50 1 933 . 94 GLU HB3 H 1.67 0.05 1 934 . 94 GLU HB2 H 1.89 0.05 1 935 . 94 GLU CG C 35.05 0.50 1 936 . 94 GLU HG3 H 1.98 0.05 1 937 . 94 GLU HG2 H 1.98 0.05 1 938 . 95 GLN N N 119.21 0.70 1 939 . 95 GLN H H 8.60 0.02 1 940 . 95 GLN C C 177.82 0.50 1 941 . 95 GLN CA C 59.73 0.50 1 942 . 95 GLN HA H 4.09 0.05 1 943 . 95 GLN CB C 28.70 0.50 1 944 . 95 GLN HB3 H 2.08 0.05 1 945 . 95 GLN HB2 H 2.08 0.05 1 946 . 95 GLN CG C 34.55 0.50 1 947 . 95 GLN HG3 H 2.45 0.05 1 948 . 95 GLN HG2 H 2.45 0.05 1 949 . 95 GLN NE2 N 113.00 0.70 1 950 . 95 GLN HE22 H 7.65 0.05 2 951 . 95 GLN HE21 H 6.95 0.05 2 952 . 96 ARG N N 119.51 0.70 1 953 . 96 ARG H H 7.84 0.02 1 954 . 96 ARG C C 180.11 0.50 1 955 . 96 ARG CA C 59.73 0.50 1 956 . 96 ARG HA H 4.21 0.05 1 957 . 96 ARG CB C 31.25 0.50 1 958 . 96 ARG HB3 H 2.32 0.05 2 959 . 96 ARG HB2 H 2.25 0.05 2 960 . 96 ARG CG C 28.56 0.50 1 961 . 96 ARG HG3 H 2.10 0.05 2 962 . 96 ARG HG2 H 1.76 0.05 2 963 . 96 ARG CD C 43.70 0.50 1 964 . 96 ARG HD2 H 3.34 0.05 2 965 . 96 ARG HD3 H 3.76 0.05 2 966 . 97 PHE N N 118.21 0.70 1 967 . 97 PHE H H 7.62 0.02 1 968 . 97 PHE C C 175.65 0.50 1 969 . 97 PHE CA C 62.45 0.50 1 970 . 97 PHE HA H 3.59 0.05 1 971 . 97 PHE CB C 39.29 0.50 1 972 . 97 PHE HB3 H 2.88 0.05 2 973 . 97 PHE HB2 H 2.37 0.05 2 974 . 98 ASN N N 120.29 0.70 1 975 . 98 ASN H H 8.70 0.02 1 976 . 98 ASN C C 177.66 0.50 1 977 . 98 ASN CA C 55.99 0.50 1 978 . 98 ASN HA H 4.18 0.05 1 979 . 98 ASN CB C 37.53 0.50 1 980 . 98 ASN HB2 H 2.92 0.05 1 981 . 98 ASN HB3 H 2.62 0.05 1 982 . 98 ASN CG C 176.10 0.50 1 983 . 98 ASN ND2 N 111.50 0.70 1 984 . 98 ASN HD22 H 7.00 0.05 2 985 . 98 ASN HD21 H 7.57 0.05 2 986 . 99 ASN N N 117.80 0.70 1 987 . 99 ASN H H 8.58 0.02 1 988 . 99 ASN C C 178.54 0.50 1 989 . 99 ASN CA C 56.10 0.50 1 990 . 99 ASN HA H 4.38 0.05 1 991 . 99 ASN CB C 38.01 0.50 1 992 . 99 ASN HB3 H 2.95 0.05 2 993 . 99 ASN HB2 H 2.81 0.05 2 994 . 99 ASN ND2 N 111.51 0.70 1 995 . 99 ASN HD22 H 7.69 0.05 2 996 . 99 ASN HD21 H 7.00 0.05 2 997 . 100 PHE N N 122.32 0.70 1 998 . 100 PHE H H 7.55 0.02 1 999 . 100 PHE C C 175.96 0.50 1 1000 . 100 PHE CA C 60.35 0.50 1 1001 . 100 PHE HA H 4.50 0.05 1 1002 . 100 PHE CB C 38.28 0.50 1 1003 . 100 PHE HB3 H 3.48 0.05 2 1004 . 100 PHE HB2 H 3.15 0.05 2 1005 . 100 PHE HD2 H 7.03 0.05 1 1006 . 100 PHE HD1 H 7.03 0.05 1 1007 . 100 PHE HE2 H 7.60 0.05 1 1008 . 100 PHE HE1 H 7.60 0.05 1 1009 . 101 LEU N N 122.75 0.70 1 1010 . 101 LEU H H 8.35 0.02 1 1011 . 101 LEU C C 179.19 0.50 1 1012 . 101 LEU CA C 57.78 0.50 1 1013 . 101 LEU HA H 3.35 0.05 1 1014 . 101 LEU CB C 41.39 0.50 1 1015 . 101 LEU HB3 H 1.43 0.05 2 1016 . 101 LEU HB2 H 0.68 0.05 2 1017 . 101 LEU CG C 25.98 0.50 1 1018 . 101 LEU HG H 0.73 0.05 1 1019 . 101 LEU CD1 C 27.28 0.50 1 1020 . 101 LEU HD1 H 1.86 0.05 2 1021 . 101 LEU CD2 C 23.79 0.50 1 1022 . 101 LEU HD2 H 0.89 0.05 2 1023 . 102 LYS N N 116.93 0.70 1 1024 . 102 LYS H H 7.83 0.02 1 1025 . 102 LYS C C 178.91 0.50 1 1026 . 102 LYS CA C 60.45 0.50 1 1027 . 102 LYS HA H 4.14 0.05 1 1028 . 102 LYS CB C 33.29 0.50 1 1029 . 102 LYS HB3 H 1.81 0.05 1 1030 . 102 LYS HB2 H 1.92 0.05 1 1031 . 102 LYS CG C 26.50 0.50 1 1032 . 102 LYS HG3 H 1.66 0.05 2 1033 . 102 LYS HG2 H 1.43 0.05 2 1034 . 102 LYS CD C 30.02 0.50 1 1035 . 102 LYS HD3 H 1.68 0.05 1 1036 . 102 LYS HD2 H 1.68 0.05 1 1037 . 102 LYS CE C 42.58 0.50 1 1038 . 102 LYS HE3 H 2.89 0.05 1 1039 . 102 LYS HE2 H 2.89 0.05 1 1040 . 103 ALA N N 122.00 0.70 1 1041 . 103 ALA H H 7.57 0.02 1 1042 . 103 ALA C C 180.63 0.50 1 1043 . 103 ALA CA C 55.11 0.50 1 1044 . 103 ALA HA H 4.13 0.05 1 1045 . 103 ALA CB C 18.52 0.50 1 1046 . 103 ALA HB H 1.47 0.05 1 1047 . 104 LEU N N 121.70 0.70 1 1048 . 104 LEU H H 8.60 0.02 1 1049 . 104 LEU C C 177.83 0.50 1 1050 . 104 LEU CA C 57.74 0.50 1 1051 . 104 LEU HA H 3.91 0.05 1 1052 . 104 LEU CB C 41.81 0.50 1 1053 . 104 LEU HB3 H 1.83 0.05 2 1054 . 104 LEU HB2 H 1.70 0.05 2 1055 . 104 LEU CG C 27.08 0.50 1 1056 . 104 LEU HG H 1.08 0.05 1 1057 . 104 LEU HD1 H 0.30 0.05 2 1058 . 104 LEU CD2 C 23.60 0.50 1 1059 . 104 LEU HD2 H 0.91 0.05 2 1060 . 105 GLN N N 118.60 0.70 1 1061 . 105 GLN H H 7.98 0.02 1 1062 . 105 GLN C C 177.68 0.50 1 1063 . 105 GLN CA C 59.87 0.50 1 1064 . 105 GLN HA H 4.14 0.05 1 1065 . 105 GLN CB C 28.66 0.50 1 1066 . 105 GLN HB2 H 2.70 0.05 1 1067 . 105 GLN HB3 H 2.17 0.05 1 1068 . 105 GLN CG C 34.06 0.50 1 1069 . 105 GLN HG3 H 1.37 0.05 2 1070 . 105 GLN HG2 H 1.29 0.05 2 1071 . 105 GLN CD C 178.72 0.50 1 1072 . 105 GLN NE2 N 111.02 0.70 1 1073 . 105 GLN HE22 H 6.15 0.05 2 1074 . 105 GLN HE21 H 6.31 0.05 2 1075 . 106 GLU N N 116.66 0.70 1 1076 . 106 GLU H H 7.23 0.02 1 1077 . 106 GLU C C 178.42 0.50 1 1078 . 106 GLU CA C 59.60 0.50 1 1079 . 106 GLU HA H 3.85 0.05 1 1080 . 106 GLU CB C 30.14 0.50 1 1081 . 106 GLU HB3 H 2.70 0.05 2 1082 . 106 GLU HB2 H 2.03 0.05 2 1083 . 106 GLU CG C 36.76 0.50 1 1084 . 106 GLU HG3 H 2.06 0.05 1 1085 . 106 GLU HG2 H 2.06 0.05 1 1086 . 107 LYS N N 119.33 0.70 1 1087 . 107 LYS H H 7.81 0.02 1 1088 . 107 LYS C C 178.24 0.50 1 1089 . 107 LYS CA C 59.33 0.50 1 1090 . 107 LYS HA H 4.05 0.05 1 1091 . 107 LYS CB C 33.27 0.50 1 1092 . 107 LYS HB2 H 1.82 0.05 2 1093 . 107 LYS HB3 H 1.94 0.05 2 1094 . 107 LYS CG C 29.84 0.50 1 1095 . 107 LYS HG3 H 1.57 0.05 1 1096 . 107 LYS HG2 H 1.57 0.05 1 1097 . 107 LYS CD C 25.56 0.50 1 1098 . 107 LYS HD3 H 1.41 0.05 1 1099 . 107 LYS HD2 H 1.41 0.05 1 1100 . 107 LYS CE C 42.54 0.50 1 1101 . 107 LYS HE3 H 3.08 0.05 1 1102 . 107 LYS HE2 H 3.08 0.05 1 1103 . 108 VAL N N 118.10 0.70 1 1104 . 108 VAL H H 8.29 0.02 1 1105 . 108 VAL C C 177.95 0.50 1 1106 . 108 VAL CA C 66.87 0.50 1 1107 . 108 VAL HA H 3.46 0.05 1 1108 . 108 VAL CB C 31.60 0.50 1 1109 . 108 VAL HB H 2.04 0.05 1 1110 . 108 VAL CG1 C 21.97 0.50 1 1111 . 108 VAL HG1 H 0.90 0.05 2 1112 . 108 VAL CG2 C 23.90 0.50 1 1113 . 108 VAL HG2 H 1.08 0.05 2 1114 . 109 GLU N N 119.08 0.70 1 1115 . 109 GLU H H 7.69 0.02 1 1116 . 109 GLU C C 179.98 0.50 1 1117 . 109 GLU CA C 59.42 0.50 1 1118 . 109 GLU HA H 4.02 0.05 1 1119 . 109 GLU CB C 29.69 0.50 1 1120 . 109 GLU HB3 H 2.00 0.05 1 1121 . 109 GLU HB2 H 2.00 0.05 1 1122 . 109 GLU CG C 36.41 0.50 1 1123 . 109 GLU HG3 H 2.19 0.05 1 1124 . 109 GLU HG2 H 2.19 0.05 1 1125 . 110 ILE N N 120.40 0.70 1 1126 . 110 ILE H H 7.96 0.02 1 1127 . 110 ILE C C 178.34 0.50 1 1128 . 110 ILE CA C 64.70 0.50 1 1129 . 110 ILE HA H 3.87 0.05 1 1130 . 110 ILE CB C 38.75 0.50 1 1131 . 110 ILE HB H 1.90 0.05 1 1132 . 110 ILE CG1 C 29.33 0.50 1 1133 . 110 ILE HG12 H 1.25 0.05 2 1134 . 110 ILE CG2 C 17.78 0.50 1 1135 . 110 ILE HG2 H 0.96 0.05 1 1136 . 110 ILE CD1 C 13.64 0.50 1 1137 . 110 ILE HD1 H 0.86 0.05 1 1138 . 111 LYS N N 117.13 0.70 1 1139 . 111 LYS H H 8.10 0.02 1 1140 . 111 LYS C C 174.99 0.50 1 1141 . 111 LYS CA C 56.67 0.50 1 1142 . 111 LYS HA H 4.28 0.05 1 1143 . 111 LYS CB C 32.96 0.50 1 1144 . 111 LYS HB2 H 1.67 0.05 1 1145 . 111 LYS HB3 H 2.04 0.05 1 1146 . 111 LYS CG C 26.18 0.50 1 1147 . 111 LYS HG3 H 1.47 0.05 1 1148 . 111 LYS HG2 H 1.47 0.05 1 1149 . 111 LYS CD C 29.39 0.50 1 1150 . 111 LYS HD3 H 1.63 0.05 1 1151 . 111 LYS HD2 H 1.63 0.05 1 1152 . 111 LYS CE C 42.32 0.50 1 1153 . 111 LYS HE3 H 2.99 0.05 1 1154 . 111 LYS HE2 H 2.99 0.05 1 1155 . 112 GLN N N 115.41 0.70 1 1156 . 112 GLN H H 7.75 0.02 1 1157 . 112 GLN C C 176.82 0.50 1 1158 . 112 GLN CA C 57.11 0.50 1 1159 . 112 GLN HA H 3.99 0.05 1 1160 . 112 GLN CB C 26.51 0.50 1 1161 . 112 GLN HB2 H 2.30 0.05 1 1162 . 112 GLN HB3 H 2.39 0.05 1 1163 . 112 GLN CG C 34.87 0.50 1 1164 . 112 GLN HG3 H 2.35 0.05 1 1165 . 112 GLN HG2 H 2.35 0.05 1 1166 . 112 GLN CD C 181.40 0.50 1 1167 . 112 GLN NE2 N 113.16 0.70 1 1168 . 112 GLN HE22 H 6.84 0.05 2 1169 . 112 GLN HE21 H 7.68 0.05 2 1170 . 113 LEU N N 120.79 0.70 1 1171 . 113 LEU H H 8.30 0.02 1 1172 . 113 LEU C C 178.16 0.50 1 1173 . 113 LEU CA C 53.56 0.50 1 1174 . 113 LEU HA H 4.94 0.05 1 1175 . 113 LEU CB C 42.33 0.50 1 1176 . 113 LEU HB2 H 1.88 0.05 1 1177 . 113 LEU HB3 H 1.68 0.05 1 1178 . 113 LEU CG C 27.00 0.50 1 1179 . 113 LEU HG H 0.89 0.05 1 1180 . 113 LEU CD1 C 24.19 0.50 1 1181 . 113 LEU HD1 H 0.98 0.05 2 1182 . 113 LEU HD2 H 0.92 0.05 2 1183 . 114 ASN N N 119.47 0.70 1 1184 . 114 ASN H H 8.35 0.02 1 1185 . 114 ASN C C 177.40 0.50 1 1186 . 114 ASN CA C 57.62 0.50 1 1187 . 114 ASN HA H 4.28 0.05 1 1188 . 114 ASN CB C 38.55 0.50 1 1189 . 114 ASN HB2 H 2.73 0.05 2 1190 . 114 ASN HB3 H 2.84 0.05 2 1191 . 114 ASN CG C 176.20 0.50 1 1192 . 114 ASN ND2 N 113.23 0.70 1 1193 . 114 ASN HD22 H 6.94 0.05 2 1194 . 114 ASN HD21 H 7.71 0.05 2 1195 . 115 HIS C C 176.76 0.50 1 1196 . 115 HIS CA C 58.25 0.50 1 1197 . 115 HIS HA H 4.73 0.05 1 1198 . 115 HIS CB C 28.67 0.50 1 1199 . 115 HIS HB3 H 3.44 0.05 1 1200 . 115 HIS HB2 H 3.44 0.05 1 1201 . 116 PHE N N 118.04 0.70 1 1202 . 116 PHE H H 7.35 0.02 1 1203 . 116 PHE C C 176.07 0.50 1 1204 . 116 PHE CA C 60.82 0.50 1 1205 . 116 PHE HA H 3.90 0.05 1 1206 . 116 PHE CB C 38.75 0.50 1 1207 . 116 PHE HB3 H 2.69 0.05 2 1208 . 116 PHE HB2 H 1.77 0.05 2 1209 . 116 PHE HD2 H 6.83 0.05 1 1210 . 116 PHE HD1 H 6.83 0.05 1 1211 . 117 TRP N N 119.96 0.70 1 1212 . 117 TRP H H 7.98 0.02 1 1213 . 117 TRP C C 176.43 0.50 1 1214 . 117 TRP CA C 59.76 0.50 1 1215 . 117 TRP HA H 3.85 0.05 1 1216 . 117 TRP CB C 29.95 0.50 1 1217 . 117 TRP HB3 H 3.29 0.05 2 1218 . 117 TRP HB2 H 3.19 0.05 2 1219 . 118 GLU N N 114.12 0.70 1 1220 . 118 GLU H H 7.90 0.02 1 1221 . 118 GLU C C 178.82 0.50 1 1222 . 118 GLU CA C 59.76 0.50 1 1223 . 118 GLU HA H 3.83 0.05 1 1224 . 118 GLU CB C 29.95 0.50 1 1225 . 118 GLU HB2 H 2.02 0.05 1 1226 . 118 GLU HB3 H 2.18 0.05 1 1227 . 118 GLU CG C 37.01 0.50 1 1228 . 118 GLU HG3 H 2.50 0.05 2 1229 . 118 GLU HG2 H 2.35 0.05 2 1230 . 119 ILE N N 119.54 0.70 1 1231 . 119 ILE H H 7.13 0.02 1 1232 . 119 ILE C C 177.44 0.50 1 1233 . 119 ILE CA C 65.16 0.50 1 1234 . 119 ILE HA H 3.54 0.05 1 1235 . 119 ILE CB C 38.28 0.50 1 1236 . 119 ILE HB H 1.72 0.05 1 1237 . 119 ILE CG1 C 28.52 0.50 1 1238 . 119 ILE HG12 H 1.00 0.05 2 1239 . 119 ILE CG2 C 18.64 0.50 1 1240 . 119 ILE HG2 H 0.84 0.05 1 1241 . 119 ILE CD1 C 14.60 0.50 1 1242 . 119 ILE HD1 H 1.00 0.05 1 1243 . 120 VAL N N 121.56 0.70 1 1244 . 120 VAL H H 6.71 0.02 1 1245 . 120 VAL C C 177.52 0.50 1 1246 . 120 VAL CA C 67.79 0.50 1 1247 . 120 VAL HA H 2.88 0.05 1 1248 . 120 VAL CB C 31.38 0.50 1 1249 . 120 VAL HB H 1.14 0.05 1 1250 . 120 VAL CG1 C 23.88 0.50 1 1251 . 120 VAL HG1 H 0.03 0.05 2 1252 . 120 VAL CG2 C 21.02 0.50 1 1253 . 120 VAL HG2 H 0.09 0.05 2 1254 . 121 VAL N N 116.48 0.70 1 1255 . 121 VAL H H 7.74 0.02 1 1256 . 121 VAL C C 180.40 0.50 1 1257 . 121 VAL CA C 66.46 0.50 1 1258 . 121 VAL HA H 3.38 0.05 1 1259 . 121 VAL CB C 32.33 0.50 1 1260 . 121 VAL HB H 1.80 0.05 1 1261 . 121 VAL CG1 C 23.13 0.50 1 1262 . 121 VAL HG1 H 0.61 0.05 2 1263 . 121 VAL CG2 C 21.80 0.50 1 1264 . 121 VAL HG2 H 0.84 0.05 2 1265 . 122 GLN N N 121.00 0.70 1 1266 . 122 GLN H H 8.10 0.02 1 1267 . 122 GLN C C 178.00 0.50 1 1268 . 122 GLN CA C 59.09 0.50 1 1269 . 122 GLN HA H 3.92 0.05 1 1270 . 122 GLN CB C 28.80 0.50 1 1271 . 122 GLN HB2 H 2.09 0.05 2 1272 . 122 GLN HB3 H 2.16 0.05 2 1273 . 122 GLN CG C 34.51 0.50 1 1274 . 122 GLN HG3 H 2.43 0.05 1 1275 . 122 GLN HG2 H 2.43 0.05 1 1276 . 122 GLN CD C 180.35 0.50 1 1277 . 122 GLN NE2 N 111.20 0.70 1 1278 . 122 GLN HE22 H 6.75 0.05 2 1279 . 122 GLN HE21 H 7.42 0.05 2 1280 . 123 ASP N N 117.55 0.70 1 1281 . 123 ASP H H 8.12 0.02 1 1282 . 123 ASP C C 176.53 0.50 1 1283 . 123 ASP CA C 54.50 0.50 1 1284 . 123 ASP HA H 4.54 0.05 1 1285 . 123 ASP CB C 40.67 0.50 1 1286 . 123 ASP HB2 H 2.64 0.05 2 1287 . 123 ASP HB3 H 2.71 0.05 2 1288 . 124 GLY N N 108.67 0.70 1 1289 . 124 GLY H H 7.95 0.02 1 1290 . 124 GLY C C 175.09 0.50 1 1291 . 124 GLY CA C 46.61 0.50 1 1292 . 124 GLY HA3 H 3.87 0.05 2 1293 . 124 GLY HA2 H 3.54 0.05 2 1294 . 125 ILE N N 121.70 0.70 1 1295 . 125 ILE H H 7.25 0.02 1 1296 . 125 ILE C C 171.44 0.50 1 1297 . 125 ILE CA C 62.57 0.50 1 1298 . 125 ILE HA H 3.65 0.05 1 1299 . 125 ILE CB C 37.73 0.50 1 1300 . 125 ILE HB H 1.84 0.05 1 1301 . 125 ILE CG1 C 28.21 0.50 1 1302 . 125 ILE HG12 H 1.58 0.05 2 1303 . 125 ILE CG2 C 18.06 0.50 1 1304 . 125 ILE HG2 H 0.94 0.05 1 1305 . 125 ILE CD1 C 14.47 0.50 1 1306 . 125 ILE HD1 H 1.10 0.05 1 1307 . 126 THR N N 115.92 0.70 1 1308 . 126 THR H H 7.36 0.02 1 1309 . 126 THR C C 174.43 0.50 1 1310 . 126 THR CA C 57.26 0.50 1 1311 . 126 THR HA H 4.84 0.05 1 1312 . 126 THR CB C 71.51 0.50 1 1313 . 126 THR HB H 4.05 0.05 1 1314 . 126 THR CG2 C 20.11 0.50 1 1315 . 126 THR HG2 H 1.26 0.05 1 1316 . 127 LEU N N 121.48 0.70 1 1317 . 127 LEU H H 8.06 0.02 1 1318 . 127 LEU C C 176.19 0.50 1 1319 . 127 LEU CA C 55.11 0.50 1 1320 . 127 LEU HA H 3.96 0.05 1 1321 . 127 LEU CB C 44.05 0.50 1 1322 . 127 LEU HB3 H 1.11 0.05 1 1323 . 127 LEU HB2 H 1.21 0.05 1 1324 . 127 LEU CG C 27.11 0.50 1 1325 . 127 LEU HG H 0.60 0.05 1 1326 . 127 LEU CD1 C 27.11 0.50 1 1327 . 127 LEU HD1 H 0.82 0.05 2 1328 . 127 LEU CD2 C 23.00 0.50 1 1329 . 127 LEU HD2 H 0.33 0.05 2 1330 . 128 ILE N N 122.54 0.70 1 1331 . 128 ILE H H 9.90 0.02 1 1332 . 128 ILE C C 178.75 0.50 1 1333 . 128 ILE CA C 62.34 0.50 1 1334 . 128 ILE HA H 4.17 0.05 1 1335 . 128 ILE CB C 39.79 0.50 1 1336 . 128 ILE HB H 1.61 0.05 1 1337 . 128 ILE CG1 C 28.74 0.50 1 1338 . 128 ILE HG12 H 1.46 0.05 2 1339 . 128 ILE CG2 C 20.13 0.50 1 1340 . 128 ILE HG2 H 0.92 0.05 1 1341 . 128 ILE CD1 C 16.42 0.50 1 1342 . 128 ILE HD1 H 0.77 0.05 1 1343 . 129 THR N N 121.89 0.70 1 1344 . 129 THR H H 8.79 0.02 1 1345 . 129 THR C C 175.62 0.50 1 1346 . 129 THR CA C 61.46 0.50 1 1347 . 129 THR HA H 4.52 0.05 1 1348 . 129 THR CB C 73.12 0.50 1 1349 . 129 THR HB H 4.57 0.05 1 1350 . 129 THR CG2 C 23.46 0.50 1 1351 . 129 THR HG2 H 1.10 0.05 1 1352 . 130 LYS N N 119.74 0.70 1 1353 . 130 LYS H H 8.68 0.02 1 1354 . 130 LYS C C 177.30 0.50 1 1355 . 130 LYS CA C 58.26 0.50 1 1356 . 130 LYS HA H 4.51 0.05 1 1357 . 130 LYS CB C 33.12 0.50 1 1358 . 130 LYS HB2 H 1.66 0.05 1 1359 . 130 LYS HB3 H 1.84 0.05 1 1360 . 130 LYS CG C 24.17 0.50 1 1361 . 130 LYS HG3 H 1.50 0.05 2 1362 . 130 LYS HG2 H 1.40 0.05 2 1363 . 130 LYS CD C 30.14 0.50 1 1364 . 130 LYS HD3 H 1.89 0.05 1 1365 . 130 LYS HD2 H 1.89 0.05 1 1366 . 130 LYS CE C 42.47 0.50 1 1367 . 130 LYS HE3 H 3.01 0.05 1 1368 . 130 LYS HE2 H 3.01 0.05 1 1369 . 131 GLU N N 116.28 0.70 1 1370 . 131 GLU H H 7.82 0.02 1 1371 . 131 GLU C C 177.72 0.50 1 1372 . 131 GLU CA C 58.80 0.50 1 1373 . 131 GLU HA H 4.05 0.05 1 1374 . 131 GLU CB C 29.78 0.50 1 1375 . 131 GLU HB3 H 1.98 0.05 1 1376 . 131 GLU HB2 H 1.98 0.05 1 1377 . 131 GLU CG C 37.73 0.50 1 1378 . 131 GLU HG3 H 2.36 0.05 2 1379 . 131 GLU HG2 H 2.26 0.05 2 1380 . 132 GLU N N 117.76 0.70 1 1381 . 132 GLU H H 7.45 0.02 1 1382 . 132 GLU C C 176.38 0.50 1 1383 . 132 GLU CA C 57.83 0.50 1 1384 . 132 GLU HA H 4.14 0.05 1 1385 . 132 GLU CB C 33.32 0.50 1 1386 . 132 GLU HB3 H 1.91 0.05 1 1387 . 132 GLU HB2 H 1.91 0.05 1 1388 . 132 GLU CG C 38.25 0.50 1 1389 . 132 GLU HG3 H 2.29 0.05 2 1390 . 132 GLU HG2 H 2.09 0.05 2 1391 . 133 ALA N N 121.65 0.70 1 1392 . 133 ALA H H 8.00 0.02 1 1393 . 133 ALA C C 176.46 0.50 1 1394 . 133 ALA CA C 52.52 0.50 1 1395 . 133 ALA HA H 4.55 0.05 1 1396 . 133 ALA CB C 22.23 0.50 1 1397 . 133 ALA HB H 1.30 0.05 1 1398 . 134 SER N N 117.54 0.70 1 1399 . 134 SER H H 8.57 0.02 1 1400 . 134 SER C C 175.28 0.50 1 1401 . 134 SER CA C 61.14 0.50 1 1402 . 134 SER HA H 4.32 0.05 1 1403 . 134 SER CB C 63.51 0.50 1 1404 . 134 SER HB3 H 3.95 0.05 1 1405 . 134 SER HB2 H 3.95 0.05 1 1406 . 135 GLY N N 109.16 0.70 1 1407 . 135 GLY H H 8.43 0.02 1 1408 . 135 GLY C C 175.11 0.50 1 1409 . 135 GLY CA C 46.07 0.50 1 1410 . 135 GLY HA3 H 4.13 0.05 2 1411 . 135 GLY HA2 H 3.81 0.05 2 1412 . 136 SER N N 113.07 0.70 1 1413 . 136 SER H H 7.71 0.02 1 1414 . 136 SER C C 174.52 0.50 1 1415 . 136 SER CA C 56.57 0.50 1 1416 . 136 SER HA H 4.50 0.05 1 1417 . 136 SER CB C 64.55 0.50 1 1418 . 136 SER HB2 H 3.42 0.05 2 1419 . 136 SER HB3 H 3.71 0.05 2 1420 . 137 SER N N 119.47 0.70 1 1421 . 137 SER H H 8.64 0.02 1 1422 . 137 SER C C 174.61 0.50 1 1423 . 137 SER CA C 58.38 0.50 1 1424 . 137 SER HA H 4.62 0.05 1 1425 . 137 SER CB C 64.45 0.50 1 1426 . 137 SER HB2 H 3.92 0.05 2 1427 . 137 SER HB3 H 4.03 0.05 2 1428 . 138 VAL N N 125.57 0.70 1 1429 . 138 VAL H H 8.36 0.02 1 1430 . 138 VAL C C 176.19 0.50 1 1431 . 138 VAL CA C 63.63 0.50 1 1432 . 138 VAL HA H 4.03 0.05 1 1433 . 138 VAL CB C 33.00 0.50 1 1434 . 138 VAL HB H 1.97 0.05 1 1435 . 138 VAL CG1 C 22.46 0.50 1 1436 . 138 VAL HG1 H 0.93 0.05 2 1437 . 139 THR N N 117.82 0.70 1 1438 . 139 THR H H 8.29 0.02 1 1439 . 139 THR C C 175.54 0.50 1 1440 . 139 THR CA C 61.01 0.50 1 1441 . 139 THR HA H 4.63 0.05 1 1442 . 139 THR CB C 71.92 0.50 1 1443 . 139 THR HB H 4.80 0.05 1 1444 . 139 THR CG2 C 22.56 0.50 1 1445 . 139 THR HG2 H 1.37 0.05 1 1446 . 140 ALA N N 124.25 0.70 1 1447 . 140 ALA H H 9.44 0.02 1 1448 . 140 ALA C C 180.76 0.50 1 1449 . 140 ALA CA C 56.07 0.50 1 1450 . 140 ALA HA H 4.11 0.05 1 1451 . 140 ALA CB C 18.62 0.50 1 1452 . 140 ALA HB H 1.51 0.05 1 1453 . 141 GLU N N 117.54 0.70 1 1454 . 141 GLU H H 8.59 0.02 1 1455 . 141 GLU C C 179.10 0.50 1 1456 . 141 GLU CA C 60.35 0.50 1 1457 . 141 GLU HA H 4.03 0.05 1 1458 . 141 GLU CB C 29.92 0.50 1 1459 . 141 GLU HB2 H 1.95 0.05 2 1460 . 141 GLU HB3 H 2.10 0.05 2 1461 . 141 GLU CG C 37.04 0.50 1 1462 . 141 GLU HG3 H 2.33 0.05 1 1463 . 141 GLU HG2 H 2.33 0.05 1 1464 . 142 GLU N N 121.28 0.70 1 1465 . 142 GLU H H 7.85 0.02 1 1466 . 142 GLU C C 179.66 0.50 1 1467 . 142 GLU CA C 59.79 0.50 1 1468 . 142 GLU HA H 3.95 0.05 1 1469 . 142 GLU CB C 30.53 0.50 1 1470 . 142 GLU HB2 H 1.96 0.05 2 1471 . 142 GLU HB3 H 2.31 0.05 2 1472 . 142 GLU CG C 37.34 0.50 1 1473 . 142 GLU HG3 H 2.19 0.05 1 1474 . 142 GLU HG2 H 2.19 0.05 1 1475 . 143 ALA N N 122.50 0.70 1 1476 . 143 ALA H H 8.30 0.02 1 1477 . 143 ALA C C 179.94 0.50 1 1478 . 143 ALA CA C 55.47 0.50 1 1479 . 143 ALA HA H 3.92 0.05 1 1480 . 143 ALA CB C 19.14 0.50 1 1481 . 143 ALA HB H 1.43 0.05 1 1482 . 144 LYS N N 119.87 0.70 1 1483 . 144 LYS H H 7.96 0.02 1 1484 . 144 LYS C C 179.34 0.50 1 1485 . 144 LYS CA C 59.73 0.50 1 1486 . 144 LYS HA H 4.18 0.05 1 1487 . 144 LYS CB C 32.90 0.50 1 1488 . 144 LYS HB3 H 1.94 0.05 1 1489 . 144 LYS HB2 H 1.94 0.05 1 1490 . 144 LYS CG C 25.54 0.50 1 1491 . 144 LYS HG3 H 1.43 0.05 1 1492 . 144 LYS HG2 H 1.43 0.05 1 1493 . 144 LYS CD C 29.81 0.50 1 1494 . 144 LYS HD3 H 1.68 0.05 1 1495 . 144 LYS HD2 H 1.68 0.05 1 1496 . 144 LYS CE C 42.50 0.50 1 1497 . 144 LYS HE3 H 2.96 0.05 1 1498 . 144 LYS HE2 H 2.96 0.05 1 1499 . 145 LYS N N 120.64 0.70 1 1500 . 145 LYS H H 8.12 0.02 1 1501 . 145 LYS C C 178.32 0.50 1 1502 . 145 LYS CA C 59.17 0.50 1 1503 . 145 LYS HA H 4.09 0.05 1 1504 . 145 LYS CB C 32.89 0.50 1 1505 . 145 LYS HB3 H 1.90 0.05 1 1506 . 145 LYS HB2 H 1.90 0.05 1 1507 . 145 LYS CG C 25.89 0.50 1 1508 . 145 LYS HG3 H 1.53 0.05 1 1509 . 145 LYS HG2 H 1.53 0.05 1 1510 . 145 LYS CD C 29.67 0.50 1 1511 . 145 LYS HD3 H 1.68 0.05 1 1512 . 145 LYS HD2 H 1.68 0.05 1 1513 . 145 LYS CE C 42.60 0.50 1 1514 . 145 LYS HE3 H 2.97 0.05 1 1515 . 145 LYS HE2 H 2.97 0.05 1 1516 . 146 PHE N N 119.13 0.70 1 1517 . 146 PHE H H 7.84 0.02 1 1518 . 146 PHE C C 175.80 0.50 1 1519 . 146 PHE CA C 61.42 0.50 1 1520 . 146 PHE HA H 4.26 0.05 1 1521 . 146 PHE CB C 39.93 0.50 1 1522 . 146 PHE HB3 H 3.27 0.05 2 1523 . 146 PHE HB2 H 3.13 0.05 2 1524 . 146 PHE HD2 H 7.43 0.05 1 1525 . 146 PHE HD1 H 7.43 0.05 1 1526 . 146 PHE HE2 H 7.33 0.05 1 1527 . 146 PHE HE1 H 7.33 0.05 1 1528 . 147 LEU H H 6.84 0.02 1 1529 . 147 LEU C C 176.45 0.50 1 1530 . 147 LEU CA C 54.79 0.50 1 1531 . 147 LEU HA H 4.36 0.05 1 1532 . 147 LEU CB C 43.80 0.50 1 1533 . 147 LEU HB3 H 1.82 0.05 2 1534 . 147 LEU HB2 H 1.76 0.05 2 1535 . 147 LEU CG C 27.60 0.50 1 1536 . 147 LEU HG H 1.62 0.05 1 1537 . 147 LEU CD1 C 26.07 0.50 1 1538 . 147 LEU HD1 H 0.88 0.05 2 1539 . 147 LEU CD2 C 23.23 0.50 1 1540 . 148 ALA N N 124.03 0.70 1 1541 . 148 ALA H H 7.54 0.02 1 1542 . 148 ALA C C 175.03 0.50 1 1543 . 148 ALA CA C 50.98 0.50 1 1544 . 148 ALA HA H 4.56 0.05 1 1545 . 148 ALA CB C 19.01 0.50 1 1546 . 148 ALA HB H 1.39 0.05 1 1547 . 149 PRO C C 177.28 0.50 1 1548 . 149 PRO CA C 63.70 0.50 1 1549 . 149 PRO HA H 4.46 0.05 1 1550 . 149 PRO CB C 32.66 0.50 1 1551 . 149 PRO HB2 H 1.88 0.05 2 1552 . 149 PRO HB3 H 2.32 0.05 2 1553 . 149 PRO CG C 27.85 0.50 1 1554 . 149 PRO HG3 H 2.02 0.05 1 1555 . 149 PRO HG2 H 2.02 0.05 1 1556 . 149 PRO CD C 50.86 0.50 1 1557 . 149 PRO HD3 H 3.77 0.05 2 1558 . 149 PRO HD2 H 3.62 0.05 2 1559 . 150 LYS N N 121.40 0.70 1 1560 . 150 LYS H H 8.46 0.02 1 1561 . 150 LYS C C 176.50 0.50 1 1562 . 150 LYS CA C 56.62 0.50 1 1563 . 150 LYS HA H 4.28 0.05 1 1564 . 150 LYS CB C 33.40 0.50 1 1565 . 150 LYS HB2 H 1.69 0.05 2 1566 . 150 LYS HB3 H 1.81 0.05 2 1567 . 150 LYS CG C 25.22 0.50 1 1568 . 150 LYS HG3 H 1.41 0.05 1 1569 . 150 LYS HG2 H 1.41 0.05 1 1570 . 150 LYS CD C 29.40 0.50 1 1571 . 150 LYS HD3 H 1.61 0.05 1 1572 . 150 LYS HD2 H 1.61 0.05 1 1573 . 150 LYS CE C 42.59 0.50 1 1574 . 150 LYS HE3 H 2.92 0.05 1 1575 . 150 LYS HE2 H 2.92 0.05 1 1576 . 151 ASP N N 121.48 0.70 1 1577 . 151 ASP H H 8.32 0.02 1 1578 . 151 ASP C C 175.07 0.50 1 1579 . 151 ASP CA C 55.02 0.50 1 1580 . 151 ASP HA H 4.55 0.05 1 1581 . 151 ASP CB C 41.73 0.50 1 1582 . 151 ASP HB3 H 2.64 0.05 1 1583 . 151 ASP HB2 H 2.64 0.05 1 1584 . 152 LYS N N 125.53 0.70 1 1585 . 152 LYS H H 7.78 0.02 1 1586 . 152 LYS C C 181.14 0.50 1 1587 . 152 LYS CA C 58.09 0.50 1 1588 . 152 LYS HA H 4.12 0.05 1 1589 . 152 LYS CB C 34.39 0.50 1 1590 . 152 LYS HB2 H 1.69 0.05 2 1591 . 152 LYS HB3 H 1.80 0.05 2 1592 . 152 LYS HG3 H 1.36 0.05 1 1593 . 152 LYS HG2 H 1.36 0.05 1 stop_ save_