data_4282 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 15N, and 13C Resonance Assignments for the N-terminal 20 kDa Domain of the DNA Single-Strand Break Repair Protein XRCC1 ; _BMRB_accession_number 4282 _BMRB_flat_file_name bmr4282.str _Entry_type original _Submission_date 1998-12-10 _Accession_date 1998-12-10 _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 Marintchev Assen G. . 2 Maciejewski Mark W. . 3 Mullen Gregory P. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1025 "13C chemical shifts" 766 "15N chemical shifts" 187 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2000-05-03 original author . stop_ _Original_release_date 2000-05-03 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; 1H, 15N, and 13C Resonance Assignments for the N-terminal 20 kDa Domain of the DNA Single-Strand Break Repair Protein XRCC1 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 99281465 _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Marintchev Assen G. . 2 Maciejewski Mark W. . 3 Mullen Gregory P. . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_name_full 'Journal of Biomolecular NMR' _Journal_volume 13 _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 393 _Page_last 394 _Year 1999 _Details . loop_ _Keyword 'X-ray induced DNA damage' 'DNA repair' '3D NMR' stop_ save_ ################################## # Molecular system description # ################################## save_system_XRCC1 _Saveframe_category molecular_system _Mol_system_name 'XRCC1 N-terminal domain' _Abbreviation_common XRCC1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'XRCC1 NTD' $XRCC1_NTD stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_XRCC1_NTD _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'XRCC1 NTD' _Name_variant D179E _Abbreviation_common XRCC1 _Molecular_mass 20217 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 183 _Mol_residue_sequence ; MPEIRLRHVVSCSSQDSTHC AENLLKADTYRKWRAAKAGE KTISVVLQLEKEEQIHSVDI GNDGSAFVEVLVGSSAGGAG EQDYEVLLVTSSFMSPSESR SGSNPNRVRMFGPDKLVRAA AEKRWDRVKIVCSQPYSKDS PFGLSFVRFHSPPDKDEAEA PSQKVTVTKLGQFRVKEEEE SAN ; loop_ _Residue_seq_code _Residue_label 1 MET 2 PRO 3 GLU 4 ILE 5 ARG 6 LEU 7 ARG 8 HIS 9 VAL 10 VAL 11 SER 12 CYS 13 SER 14 SER 15 GLN 16 ASP 17 SER 18 THR 19 HIS 20 CYS 21 ALA 22 GLU 23 ASN 24 LEU 25 LEU 26 LYS 27 ALA 28 ASP 29 THR 30 TYR 31 ARG 32 LYS 33 TRP 34 ARG 35 ALA 36 ALA 37 LYS 38 ALA 39 GLY 40 GLU 41 LYS 42 THR 43 ILE 44 SER 45 VAL 46 VAL 47 LEU 48 GLN 49 LEU 50 GLU 51 LYS 52 GLU 53 GLU 54 GLN 55 ILE 56 HIS 57 SER 58 VAL 59 ASP 60 ILE 61 GLY 62 ASN 63 ASP 64 GLY 65 SER 66 ALA 67 PHE 68 VAL 69 GLU 70 VAL 71 LEU 72 VAL 73 GLY 74 SER 75 SER 76 ALA 77 GLY 78 GLY 79 ALA 80 GLY 81 GLU 82 GLN 83 ASP 84 TYR 85 GLU 86 VAL 87 LEU 88 LEU 89 VAL 90 THR 91 SER 92 SER 93 PHE 94 MET 95 SER 96 PRO 97 SER 98 GLU 99 SER 100 ARG 101 SER 102 GLY 103 SER 104 ASN 105 PRO 106 ASN 107 ARG 108 VAL 109 ARG 110 MET 111 PHE 112 GLY 113 PRO 114 ASP 115 LYS 116 LEU 117 VAL 118 ARG 119 ALA 120 ALA 121 ALA 122 GLU 123 LYS 124 ARG 125 TRP 126 ASP 127 ARG 128 VAL 129 LYS 130 ILE 131 VAL 132 CYS 133 SER 134 GLN 135 PRO 136 TYR 137 SER 138 LYS 139 ASP 140 SER 141 PRO 142 PHE 143 GLY 144 LEU 145 SER 146 PHE 147 VAL 148 ARG 149 PHE 150 HIS 151 SER 152 PRO 153 PRO 154 ASP 155 LYS 156 ASP 157 GLU 158 ALA 159 GLU 160 ALA 161 PRO 162 SER 163 GLN 164 LYS 165 VAL 166 THR 167 VAL 168 THR 169 LYS 170 LEU 171 GLY 172 GLN 173 PHE 174 ARG 175 VAL 176 LYS 177 GLU 178 GLU 179 GLU 180 GLU 181 SER 182 ALA 183 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-14 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 1XNA "Nmr Solution Structure Of The Single-Strand Break Repair Protein Xrcc1-N-Terminal Domain" 99.45 183 100.00 100.00 8.29e-130 PDB 1XNT "Nmr Solution Structure Of The Single-Strand Break Repair Protein Xrcc1-N-Terminal Domain" 99.45 183 100.00 100.00 8.29e-130 PDB 3K75 "X-Ray Crystal Structure Of Reduced Xrcc1 Bound To Dna Pol Beta Catalytic Domain" 100.00 189 99.45 100.00 3.11e-130 PDB 3K77 "X-Ray Crystal Structure Of Xrcc1" 84.70 161 100.00 100.00 1.15e-109 PDB 3LQC "X-Ray Crystal Structure Of Oxidized Xrcc1 Bound To Dna Pol B Thumb Domain" 100.00 189 99.45 100.00 3.11e-130 DBJ BAD92018 "X-ray repair cross complementing protein 1 variant [Homo sapiens]" 100.00 647 99.45 100.00 3.36e-124 DBJ BAG10574 "DNA-repair protein XRCC1 [synthetic construct]" 100.00 633 99.45 100.00 2.26e-124 DBJ BAG37732 "unnamed protein product [Homo sapiens]" 100.00 633 99.45 100.00 2.19e-124 DBJ BAG57023 "unnamed protein product [Homo sapiens]" 100.00 400 99.45 100.00 1.17e-128 EMBL CAG33009 "XRCC1 [Homo sapiens]" 100.00 633 99.45 100.00 2.26e-124 GB AAA63270 "DNA-repair protein [Homo sapiens]" 100.00 633 99.45 100.00 2.57e-124 GB AAH23593 "X-ray repair complementing defective repair in Chinese hamster cells 1 [Homo sapiens]" 100.00 633 99.45 100.00 2.26e-124 GB AAM34791 "X-ray repair complementing defective repair in Chinese hamster cells 1 [Homo sapiens]" 100.00 633 99.45 100.00 2.57e-124 GB EAW57201 "X-ray repair complementing defective repair in Chinese hamster cells 1, isoform CRA_a [Homo sapiens]" 100.00 236 99.45 100.00 5.16e-129 GB EAW57202 "X-ray repair complementing defective repair in Chinese hamster cells 1, isoform CRA_b [Homo sapiens]" 100.00 633 99.45 100.00 2.57e-124 REF NP_006288 "DNA repair protein XRCC1 [Homo sapiens]" 100.00 633 99.45 100.00 2.26e-124 REF XP_001100256 "PREDICTED: DNA repair protein XRCC1 [Macaca mulatta]" 100.00 617 98.91 99.45 3.08e-124 REF XP_002829368 "PREDICTED: DNA repair protein XRCC1 [Pongo abelii]" 100.00 633 98.36 99.45 2.40e-123 REF XP_003281242 "PREDICTED: DNA repair protein XRCC1 [Nomascus leucogenys]" 100.00 631 98.91 99.45 1.07e-123 REF XP_003799533 "PREDICTED: DNA repair protein XRCC1 [Otolemur garnettii]" 100.00 633 97.81 98.91 9.34e-123 SP P18887 "RecName: Full=DNA repair protein XRCC1; AltName: Full=X-ray repair cross-complementing protein 1" 100.00 633 99.45 100.00 2.55e-124 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $XRCC1_NTD 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 $XRCC1_NTD '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 $XRCC1_NTD . mM 2 4 '[U-15N; U-13C]' DTT 5 mM . . . stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Saveframe_category software _Name FELIX _Version 97 loop_ _Task 'data processing' stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label . save_ save_2D_1H-1H_TOCSY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _Sample_label . save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label . save_ save_2D_1H-15N_HSQC_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label . save_ save_2D_(HB)CB(CGCD)HD_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label . save_ save_3D_1H-1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _Sample_label . save_ save_3D_13C-1H-1H_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-1H-1H NOESY' _Sample_label . save_ save_3D_1H-1H-15N_TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N TOCSY' _Sample_label . save_ save_3D_1H-13C-1H_HCCH-TOCSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH-TOCSY' _Sample_label . save_ save_3D_CBCA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HNCACB_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_HNCA_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HNCO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HN(CO)CA_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label . save_ save_3D_HCC(CO)NH_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCC(CO)NH' _Sample_label . save_ save_3D_CC(CO)NH_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(CO)NH' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-1H-1H NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C-1H HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCC(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CC(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond _Saveframe_category sample_conditions _Details ; DTT (5 mM) was present in the samples. Samples in D2O: The pH of buffers in H2O was adjusted; buffers were lyophilized, and then dissolved in D2O. ; loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 0.2 n/a temperature 298 1 K 'ionic strength' 0.4 0.04 M stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio 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 $Ex-cond _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'XRCC1 NTD' _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 PRO C C 172.3 0.12 1 2 . 3 GLU N N 123.5 0.15 1 3 . 3 GLU H H 9.06 0.03 1 4 . 3 GLU CA C 57.5 0.12 1 5 . 3 GLU HA H 4.44 0.03 1 6 . 3 GLU CB C 30.6 0.12 1 7 . 3 GLU HB2 H 1.99 0.03 1 8 . 3 GLU HB3 H 1.99 0.03 1 9 . 3 GLU CG C 36.9 0.12 1 10 . 3 GLU HG2 H 2.12 0.03 2 11 . 3 GLU HG3 H 2.18 0.03 2 12 . 3 GLU C C 176.7 0.12 1 13 . 4 ILE N N 129.2 0.15 1 14 . 4 ILE H H 8.84 0.03 1 15 . 4 ILE CA C 61.9 0.12 1 16 . 4 ILE HA H 4.02 0.03 1 17 . 4 ILE CB C 39.0 0.12 1 18 . 4 ILE HB H 1.66 0.03 1 19 . 4 ILE HG2 H 0.96 0.03 1 20 . 4 ILE CG2 C 18.2 0.12 1 21 . 4 ILE CG1 C 29.6 0.12 1 22 . 4 ILE HG12 H 0.99 0.03 2 23 . 4 ILE HG13 H 1.79 0.03 2 24 . 4 ILE HD1 H 0.80 0.03 1 25 . 4 ILE CD1 C 15.5 0.12 1 26 . 4 ILE C C 175.5 0.12 1 27 . 5 ARG N N 128.1 0.15 1 28 . 5 ARG H H 8.90 0.03 1 29 . 5 ARG CA C 56.0 0.12 1 30 . 5 ARG HA H 4.41 0.03 1 31 . 5 ARG CB C 30.4 0.12 1 32 . 5 ARG HB2 H 1.78 0.03 1 33 . 5 ARG HB3 H 1.78 0.03 1 34 . 5 ARG CG C 27.6 0.12 1 35 . 5 ARG HG2 H 1.63 0.03 2 36 . 5 ARG HG3 H 1.72 0.03 2 37 . 5 ARG CD C 43.2 0.12 1 38 . 5 ARG HD2 H 3.25 0.03 2 39 . 5 ARG HD3 H 3.29 0.03 2 40 . 5 ARG C C 175.6 0.12 1 41 . 6 LEU N N 125.0 0.15 1 42 . 6 LEU H H 8.89 0.03 1 43 . 6 LEU CA C 54.0 0.12 1 44 . 6 LEU HA H 4.47 0.03 1 45 . 6 LEU CB C 43.6 0.12 1 46 . 6 LEU HB2 H 1.08 0.03 2 47 . 6 LEU HB3 H 2.00 0.03 2 48 . 6 LEU CG C 26.7 0.12 1 49 . 6 LEU HG H 1.98 0.03 1 50 . 6 LEU HD1 H 0.73 0.03 2 51 . 6 LEU HD2 H 1.03 0.03 2 52 . 6 LEU CD1 C 23.9 0.12 1 53 . 6 LEU CD2 C 26.5 0.12 1 54 . 6 LEU C C 175.7 0.12 1 55 . 7 ARG N N 122.8 0.15 1 56 . 7 ARG H H 9.19 0.03 1 57 . 7 ARG CA C 57.9 0.12 1 58 . 7 ARG HA H 4.44 0.03 1 59 . 7 ARG CB C 33.3 0.12 1 60 . 7 ARG HB2 H 1.29 0.03 2 61 . 7 ARG HB3 H 1.41 0.03 2 62 . 7 ARG CG C 27.0 0.12 1 63 . 7 ARG HG2 H 1.61 0.03 2 64 . 7 ARG HG3 H 1.67 0.03 2 65 . 7 ARG CD C 43.8 0.12 1 66 . 7 ARG HD2 H 3.12 0.03 2 67 . 7 ARG HD3 H 3.22 0.03 2 68 . 7 ARG C C 175.6 0.12 1 69 . 8 HIS N N 109.5 0.15 1 70 . 8 HIS H H 7.26 0.03 1 71 . 8 HIS CA C 55.7 0.12 1 72 . 8 HIS HA H 4.84 0.03 1 73 . 8 HIS CB C 32.7 0.12 1 74 . 8 HIS HB2 H 3.12 0.03 2 75 . 8 HIS HB3 H 3.28 0.03 2 76 . 8 HIS CD2 C 119.8 0.12 1 77 . 8 HIS CE1 C 138.0 0.12 1 78 . 8 HIS HD2 H 6.54 0.03 1 79 . 8 HIS HE1 H 7.68 0.03 1 80 . 8 HIS C C 173.5 0.12 1 81 . 9 VAL N N 122.1 0.15 1 82 . 9 VAL H H 9.19 0.03 1 83 . 9 VAL CA C 63.0 0.12 1 84 . 9 VAL HA H 4.04 0.03 1 85 . 9 VAL CB C 32.4 0.12 1 86 . 9 VAL HB H 2.06 0.03 1 87 . 9 VAL HG1 H 0.61 0.03 2 88 . 9 VAL HG2 H 0.63 0.03 2 89 . 9 VAL CG1 C 21.0 0.12 1 90 . 9 VAL CG2 C 21.0 0.12 1 91 . 9 VAL C C 176.0 0.12 1 92 . 10 VAL N N 131.3 0.15 1 93 . 10 VAL H H 9.23 0.03 1 94 . 10 VAL CA C 64.7 0.12 1 95 . 10 VAL HA H 3.82 0.03 1 96 . 10 VAL CB C 32.7 0.12 1 97 . 10 VAL HB H 1.66 0.03 1 98 . 10 VAL HG1 H 0.88 0.03 2 99 . 10 VAL HG2 H 0.91 0.03 2 100 . 10 VAL CG1 C 20.4 0.12 1 101 . 10 VAL CG2 C 23.1 0.12 1 102 . 10 VAL C C 176.0 0.12 1 103 . 11 SER N N 110.7 0.15 1 104 . 11 SER H H 7.54 0.03 1 105 . 11 SER CA C 56.9 0.12 1 106 . 11 SER HA H 4.52 0.03 1 107 . 11 SER CB C 65.0 0.12 1 108 . 11 SER HB2 H 3.71 0.03 1 109 . 11 SER HB3 H 3.71 0.03 1 110 . 11 SER C C 171.8 0.12 1 111 . 12 CYS N N 120.6 0.15 1 112 . 12 CYS H H 8.53 0.03 1 113 . 12 CYS CA C 58.4 0.12 1 114 . 12 CYS HA H 4.99 0.03 1 115 . 12 CYS CB C 28.7 0.12 1 116 . 12 CYS HB2 H 2.35 0.03 2 117 . 12 CYS HB3 H 2.67 0.03 2 118 . 12 CYS C C 174.9 0.12 1 119 . 13 SER N N 127.1 0.15 1 120 . 13 SER H H 9.48 0.03 1 121 . 13 SER CA C 61.4 0.12 1 122 . 13 SER HA H 4.37 0.03 1 123 . 13 SER CB C 63.3 0.12 1 124 . 13 SER HB2 H 3.93 0.03 2 125 . 13 SER HB3 H 4.30 0.03 2 126 . 13 SER C C 174.9 0.12 1 127 . 14 SER N N 118.1 0.15 1 128 . 14 SER H H 7.58 0.03 1 129 . 14 SER CA C 58.5 0.12 1 130 . 14 SER HA H 4.65 0.03 1 131 . 14 SER CB C 64.2 0.12 1 132 . 14 SER HB2 H 3.56 0.03 2 133 . 14 SER HB3 H 4.22 0.03 2 134 . 14 SER C C 173.3 0.12 1 135 . 15 GLN N N 122.3 0.15 1 136 . 15 GLN H H 8.91 0.03 1 137 . 15 GLN CA C 53.6 0.12 1 138 . 15 GLN HA H 5.59 0.03 1 139 . 15 GLN CB C 30.4 0.12 1 140 . 15 GLN HB2 H 2.42 0.03 2 141 . 15 GLN HB3 H 2.79 0.03 2 142 . 15 GLN CG C 31.1 0.12 1 143 . 15 GLN HG2 H 2.50 0.03 1 144 . 15 GLN HG3 H 2.50 0.03 1 145 . 15 GLN CD C 180.5 0.12 1 146 . 15 GLN NE2 N 112.2 0.15 1 147 . 15 GLN HE21 H 7.05 0.03 2 148 . 15 GLN HE22 H 7.74 0.03 2 149 . 15 GLN C C 173.2 0.12 1 150 . 16 ASP N N 124.1 0.15 1 151 . 16 ASP H H 8.00 0.03 1 152 . 16 ASP CA C 53.8 0.12 1 153 . 16 ASP HA H 4.52 0.03 1 154 . 16 ASP CB C 44.7 0.12 1 155 . 16 ASP HB2 H 2.48 0.03 2 156 . 16 ASP HB3 H 2.65 0.03 2 157 . 16 ASP C C 175.0 0.12 1 158 . 17 SER N N 115.9 0.15 1 159 . 17 SER H H 8.04 0.03 1 160 . 17 SER CA C 61.4 0.12 1 161 . 17 SER HA H 4.17 0.03 1 162 . 17 SER CB C 63.0 0.12 1 163 . 17 SER HB2 H 3.93 0.03 1 164 . 17 SER HB3 H 3.93 0.03 1 165 . 17 SER C C 176.3 0.12 1 166 . 18 THR N N 118.9 0.15 1 167 . 18 THR H H 7.98 0.03 1 168 . 18 THR CA C 65.4 0.12 1 169 . 18 THR HA H 4.15 0.03 1 170 . 18 THR CB C 68.7 0.12 1 171 . 18 THR HB H 3.84 0.03 1 172 . 18 THR HG2 H 0.72 0.03 1 173 . 18 THR CG2 C 20.6 0.12 1 174 . 18 THR C C 175.8 0.12 1 175 . 19 HIS N N 127.2 0.15 1 176 . 19 HIS H H 9.29 0.03 1 177 . 19 HIS CA C 55.1 0.12 1 178 . 19 HIS HA H 4.94 0.03 1 179 . 19 HIS CB C 29.8 0.12 1 180 . 19 HIS HB2 H 2.75 0.03 2 181 . 19 HIS HB3 H 2.79 0.03 2 182 . 19 HIS CD2 C 118.7 0.12 1 183 . 19 HIS HD2 H 7.13 0.03 1 184 . 19 HIS C C 175.1 0.12 1 185 . 20 CYS N N 117.3 0.15 1 186 . 20 CYS H H 7.27 0.03 1 187 . 20 CYS CA C 55.6 0.12 1 188 . 20 CYS HA H 5.31 0.03 1 189 . 20 CYS CB C 29.6 0.12 1 190 . 20 CYS HB2 H 3.31 0.03 2 191 . 20 CYS HB3 H 3.44 0.03 2 192 . 20 CYS C C 175.6 0.12 1 193 . 21 ALA N N 123.1 0.15 1 194 . 21 ALA H H 8.85 0.03 1 195 . 21 ALA CA C 55.4 0.12 1 196 . 21 ALA HA H 3.60 0.03 1 197 . 21 ALA HB H 0.99 0.03 1 198 . 21 ALA CB C 18.6 0.12 1 199 . 21 ALA C C 179.4 0.12 1 200 . 22 GLU N N 115.1 0.15 1 201 . 22 GLU H H 8.62 0.03 1 202 . 22 GLU CA C 58.7 0.12 1 203 . 22 GLU HA H 3.73 0.03 1 204 . 22 GLU CB C 29.0 0.12 1 205 . 22 GLU HB2 H 2.03 0.03 2 206 . 22 GLU HB3 H 2.15 0.03 2 207 . 22 GLU CG C 37.3 0.12 1 208 . 22 GLU HG2 H 2.37 0.03 2 209 . 22 GLU HG3 H 2.44 0.03 2 210 . 22 GLU C C 178.6 0.12 1 211 . 23 ASN N N 119.1 0.15 1 212 . 23 ASN H H 7.90 0.03 1 213 . 23 ASN CA C 55.4 0.12 1 214 . 23 ASN HA H 4.47 0.03 1 215 . 23 ASN CB C 37.4 0.12 1 216 . 23 ASN HB2 H 2.66 0.03 2 217 . 23 ASN HB3 H 3.02 0.03 2 218 . 23 ASN CG C 175.8 0.12 1 219 . 23 ASN ND2 N 116.7 0.15 1 220 . 23 ASN HD21 H 7.08 0.03 2 221 . 23 ASN HD22 H 9.01 0.03 2 222 . 23 ASN C C 177.9 0.12 1 223 . 24 LEU N N 117.0 0.15 1 224 . 24 LEU H H 8.18 0.03 1 225 . 24 LEU CA C 55.7 0.12 1 226 . 24 LEU HA H 4.45 0.03 1 227 . 24 LEU CB C 41.9 0.12 1 228 . 24 LEU HB2 H 1.41 0.03 2 229 . 24 LEU HB3 H 1.74 0.03 2 230 . 24 LEU CG C 27.3 0.12 1 231 . 24 LEU HG H 1.87 0.03 1 232 . 24 LEU HD1 H 0.76 0.03 2 233 . 24 LEU HD2 H 0.95 0.03 2 234 . 24 LEU CD1 C 26.5 0.12 1 235 . 24 LEU CD2 C 21.7 0.12 1 236 . 24 LEU C C 173.5 0.12 1 237 . 25 LEU N N 114.5 0.15 1 238 . 25 LEU H H 7.52 0.03 1 239 . 25 LEU CA C 56.3 0.12 1 240 . 25 LEU HA H 4.11 0.03 1 241 . 25 LEU CB C 41.4 0.12 1 242 . 25 LEU HB2 H 1.70 0.03 2 243 . 25 LEU HB3 H 1.94 0.03 2 244 . 25 LEU CG C 27.3 0.12 1 245 . 25 LEU HG H 1.60 0.03 1 246 . 25 LEU HD1 H 0.56 0.03 2 247 . 25 LEU HD2 H 0.97 0.03 2 248 . 25 LEU CD1 C 23.6 0.12 1 249 . 25 LEU CD2 C 26.5 0.12 1 250 . 25 LEU C C 176.6 0.12 1 251 . 26 LYS N N 118.0 0.15 1 252 . 26 LYS H H 7.29 0.03 1 253 . 26 LYS CA C 54.8 0.12 1 254 . 26 LYS HA H 4.61 0.03 1 255 . 26 LYS CB C 34.5 0.12 1 256 . 26 LYS HB2 H 1.86 0.03 2 257 . 26 LYS HB3 H 1.95 0.03 2 258 . 26 LYS CG C 25.1 0.12 1 259 . 26 LYS HG2 H 1.47 0.03 2 260 . 26 LYS HG3 H 1.51 0.03 2 261 . 26 LYS CD C 29.3 0.12 1 262 . 26 LYS HD2 H 1.74 0.03 1 263 . 26 LYS HD3 H 1.74 0.03 1 264 . 26 LYS CE C 42.2 0.12 1 265 . 26 LYS HE2 H 3.01 0.03 1 266 . 26 LYS HE3 H 3.01 0.03 1 267 . 26 LYS C C 175.7 0.12 1 268 . 27 ALA N N 125.4 0.15 1 269 . 27 ALA H H 8.55 0.03 1 270 . 27 ALA CA C 53.1 0.12 1 271 . 27 ALA HA H 4.47 0.03 1 272 . 27 ALA HB H 1.38 0.03 1 273 . 27 ALA CB C 18.6 0.12 1 274 . 27 ALA C C 177.5 0.12 1 275 . 28 ASP N N 118.4 0.15 1 276 . 28 ASP H H 8.11 0.03 1 277 . 28 ASP CA C 53.6 0.12 1 278 . 28 ASP HA H 4.55 0.03 1 279 . 28 ASP CB C 41.7 0.12 1 280 . 28 ASP HB2 H 2.70 0.03 1 281 . 28 ASP HB3 H 2.70 0.03 1 282 . 28 ASP C C 176.6 0.12 1 283 . 29 THR N N 113.2 0.15 1 284 . 29 THR H H 8.16 0.03 1 285 . 29 THR CA C 62.8 0.12 1 286 . 29 THR HA H 4.34 0.03 1 287 . 29 THR CB C 69.5 0.12 1 288 . 29 THR HB H 4.20 0.03 1 289 . 29 THR HG2 H 1.11 0.03 1 290 . 29 THR CG2 C 21.4 0.12 1 291 . 29 THR C C 174.5 0.12 1 292 . 30 TYR N N 120.4 0.15 1 293 . 30 TYR H H 8.18 0.03 1 294 . 30 TYR CA C 58.6 0.12 1 295 . 30 TYR HA H 4.58 0.03 1 296 . 30 TYR CB C 38.1 0.12 1 297 . 30 TYR HB2 H 3.09 0.03 2 298 . 30 TYR HB3 H 3.18 0.03 2 299 . 30 TYR HD1 H 7.15 0.03 1 300 . 30 TYR HD2 H 7.15 0.03 1 301 . 30 TYR HE1 H 6.80 0.03 1 302 . 30 TYR HE2 H 6.80 0.03 1 303 . 30 TYR CD1 C 133.0 0.12 1 304 . 30 TYR CE1 C 118.0 0.12 1 305 . 30 TYR CE2 C 118.0 0.12 1 306 . 30 TYR CD2 C 133.0 0.12 1 307 . 30 TYR C C 173.0 0.12 1 308 . 31 ARG N N 121.5 0.15 1 309 . 31 ARG H H 8.12 0.03 1 310 . 31 ARG CA C 56.0 0.12 1 311 . 31 ARG HA H 4.60 0.03 1 312 . 31 ARG HB2 H 1.88 0.03 1 313 . 31 ARG HB3 H 1.88 0.03 1 314 . 31 ARG HG2 H 1.62 0.03 1 315 . 31 ARG HG3 H 1.62 0.03 1 316 . 31 ARG CD C 43.4 0.12 1 317 . 31 ARG HD2 H 3.11 0.03 1 318 . 31 ARG HD3 H 3.11 0.03 1 319 . 31 ARG C C 175.8 0.12 1 320 . 32 LYS N N 121.5 0.15 1 321 . 32 LYS H H 8.07 0.03 1 322 . 32 LYS CA C 55.5 0.12 1 323 . 32 LYS HA H 4.59 0.03 1 324 . 32 LYS CB C 34.6 0.12 1 325 . 32 LYS HB2 H 1.51 0.03 2 326 . 32 LYS HB3 H 1.91 0.03 2 327 . 32 LYS CG C 25.1 0.12 1 328 . 32 LYS HG2 H 1.22 0.03 2 329 . 32 LYS HG3 H 1.29 0.03 2 330 . 32 LYS CD C 29.1 0.12 1 331 . 32 LYS HD2 H 1.27 0.03 2 332 . 32 LYS HD3 H 1.49 0.03 2 333 . 32 LYS CE C 41.9 0.12 1 334 . 32 LYS HE2 H 2.58 0.03 2 335 . 32 LYS HE3 H 2.68 0.03 2 336 . 32 LYS C C 175.3 0.12 1 337 . 33 TRP N N 120.2 0.15 1 338 . 33 TRP H H 8.43 0.03 1 339 . 33 TRP CA C 54.5 0.12 1 340 . 33 TRP HA H 5.12 0.03 1 341 . 33 TRP CB C 30.1 0.12 1 342 . 33 TRP HB2 H 2.83 0.03 2 343 . 33 TRP HB3 H 3.10 0.03 2 344 . 33 TRP CD1 C 125.1 0.12 1 345 . 33 TRP CE3 C 119.0 0.12 1 346 . 33 TRP NE1 N 128.3 0.15 1 347 . 33 TRP HD1 H 7.21 0.03 1 348 . 33 TRP HE3 H 7.20 0.03 1 349 . 33 TRP CZ3 C 121.4 0.12 1 350 . 33 TRP CZ2 C 114.0 0.12 1 351 . 33 TRP HE1 H 10.07 0.03 1 352 . 33 TRP HZ3 H 6.77 0.03 1 353 . 33 TRP CH2 C 123.5 0.12 1 354 . 33 TRP HZ2 H 7.09 0.03 1 355 . 33 TRP HH2 H 6.68 0.03 1 356 . 33 TRP C C 174.0 0.12 1 357 . 34 ARG N N 123.4 0.15 1 358 . 34 ARG H H 8.64 0.03 1 359 . 34 ARG CA C 53.1 0.12 1 360 . 34 ARG HA H 4.04 0.03 1 361 . 34 ARG CB C 36.5 0.12 1 362 . 34 ARG HB2 H 1.22 0.03 2 363 . 34 ARG HB3 H 1.43 0.03 2 364 . 34 ARG CG C 27.6 0.12 1 365 . 34 ARG HG2 H 1.14 0.03 1 366 . 34 ARG HG3 H 1.14 0.03 1 367 . 34 ARG CD C 44.0 0.12 1 368 . 34 ARG HD2 H 2.43 0.03 2 369 . 34 ARG HD3 H 2.65 0.03 2 370 . 34 ARG NE N 84.9 0.15 1 371 . 34 ARG HE H 8.11 0.03 1 372 . 34 ARG C C 174.1 0.12 1 373 . 35 ALA N N 118.1 0.15 1 374 . 35 ALA H H 7.24 0.03 1 375 . 35 ALA CA C 51.1 0.12 1 376 . 35 ALA HA H 3.58 0.03 1 377 . 35 ALA HB H 0.96 0.03 1 378 . 35 ALA CB C 20.3 0.12 1 379 . 35 ALA C C 176.0 0.12 1 380 . 36 ALA N N 120.1 0.15 1 381 . 36 ALA H H 8.38 0.03 1 382 . 36 ALA CA C 54.6 0.12 1 383 . 36 ALA HA H 3.66 0.03 1 384 . 36 ALA HB H 1.43 0.03 1 385 . 36 ALA CB C 19.6 0.12 1 386 . 36 ALA C C 177.5 0.12 1 387 . 37 LYS N N 110.3 0.15 1 388 . 37 LYS H H 7.21 0.03 1 389 . 37 LYS CA C 54.1 0.12 1 390 . 37 LYS HA H 4.55 0.03 1 391 . 37 LYS CB C 35.3 0.12 1 392 . 37 LYS HB2 H 1.76 0.03 2 393 . 37 LYS HB3 H 1.91 0.03 2 394 . 37 LYS CG C 23.5 0.12 1 395 . 37 LYS HG2 H 1.26 0.03 2 396 . 37 LYS HG3 H 1.36 0.03 2 397 . 37 LYS CD C 29.3 0.12 1 398 . 37 LYS HD2 H 1.67 0.03 1 399 . 37 LYS HD3 H 1.67 0.03 1 400 . 37 LYS CE C 43.6 0.12 1 401 . 37 LYS HE2 H 2.97 0.03 1 402 . 37 LYS HE3 H 2.97 0.03 1 403 . 37 LYS C C 175.1 0.12 1 404 . 38 ALA N N 122.7 0.15 1 405 . 38 ALA H H 8.57 0.03 1 406 . 38 ALA CA C 52.5 0.12 1 407 . 38 ALA HA H 3.86 0.03 1 408 . 38 ALA HB H 1.23 0.03 1 409 . 38 ALA CB C 19.1 0.12 1 410 . 38 ALA C C 178.0 0.12 1 411 . 39 GLY N N 108.7 0.15 1 412 . 39 GLY H H 8.82 0.03 1 413 . 39 GLY CA C 46.0 0.12 1 414 . 39 GLY HA2 H 3.71 0.03 2 415 . 39 GLY HA3 H 4.21 0.03 2 416 . 39 GLY C C 175.4 0.12 1 417 . 40 GLU N N 120.1 0.15 1 418 . 40 GLU H H 7.93 0.03 1 419 . 40 GLU CA C 56.7 0.12 1 420 . 40 GLU HA H 4.38 0.03 1 421 . 40 GLU CB C 30.4 0.12 1 422 . 40 GLU HB2 H 1.91 0.03 2 423 . 40 GLU HB3 H 1.98 0.03 2 424 . 40 GLU CG C 36.5 0.12 1 425 . 40 GLU HG2 H 2.16 0.03 2 426 . 40 GLU HG3 H 2.24 0.03 2 427 . 40 GLU C C 176.9 0.12 1 428 . 41 LYS N N 120.1 0.15 1 429 . 41 LYS H H 8.69 0.03 1 430 . 41 LYS CA C 59.9 0.12 1 431 . 41 LYS HA H 3.96 0.03 1 432 . 41 LYS CB C 32.9 0.12 1 433 . 41 LYS HB2 H 1.86 0.03 2 434 . 41 LYS HB3 H 1.96 0.03 2 435 . 41 LYS CG C 25.5 0.12 1 436 . 41 LYS HG2 H 1.42 0.03 1 437 . 41 LYS HG3 H 1.42 0.03 1 438 . 41 LYS CD C 29.4 0.12 1 439 . 41 LYS HD2 H 1.69 0.03 1 440 . 41 LYS HD3 H 1.69 0.03 1 441 . 41 LYS CE C 42.2 0.12 1 442 . 41 LYS HE2 H 3.00 0.03 1 443 . 41 LYS HE3 H 3.00 0.03 1 444 . 41 LYS C C 177.1 0.12 1 445 . 42 THR N N 113.4 0.15 1 446 . 42 THR H H 8.06 0.03 1 447 . 42 THR CA C 60.9 0.12 1 448 . 42 THR HA H 5.40 0.03 1 449 . 42 THR CB C 72.0 0.12 1 450 . 42 THR HB H 3.89 0.03 1 451 . 42 THR HG2 H 1.13 0.03 1 452 . 42 THR CG2 C 21.9 0.12 1 453 . 42 THR C C 173.4 0.12 1 454 . 43 ILE N N 119.0 0.15 1 455 . 43 ILE H H 9.25 0.03 1 456 . 43 ILE CA C 60.2 0.12 1 457 . 43 ILE HA H 4.67 0.03 1 458 . 43 ILE CB C 42.5 0.12 1 459 . 43 ILE HB H 1.95 0.03 1 460 . 43 ILE HG2 H 0.66 0.03 1 461 . 43 ILE CG2 C 18.2 0.12 1 462 . 43 ILE CG1 C 25.3 0.12 1 463 . 43 ILE HG12 H 0.82 0.03 2 464 . 43 ILE HG13 H 1.24 0.03 2 465 . 43 ILE HD1 H -0.60 0.03 1 466 . 43 ILE CD1 C 12.7 0.12 1 467 . 43 ILE C C 173.5 0.12 1 468 . 44 SER N N 113.9 0.15 1 469 . 44 SER H H 9.04 0.03 1 470 . 44 SER CA C 56.9 0.12 1 471 . 44 SER HA H 6.20 0.03 1 472 . 44 SER CB C 68.0 0.12 1 473 . 44 SER HB2 H 3.66 0.03 2 474 . 44 SER HB3 H 3.82 0.03 2 475 . 44 SER C C 172.6 0.12 1 476 . 45 VAL N N 119.7 0.15 1 477 . 45 VAL H H 8.61 0.03 1 478 . 45 VAL CA C 59.3 0.12 1 479 . 45 VAL HA H 4.73 0.03 1 480 . 45 VAL CB C 34.9 0.12 1 481 . 45 VAL HB H 1.10 0.03 1 482 . 45 VAL HG1 H 0.30 0.03 2 483 . 45 VAL HG2 H 0.54 0.03 2 484 . 45 VAL CG1 C 20.5 0.12 1 485 . 45 VAL CG2 C 22.7 0.12 1 486 . 45 VAL C C 171.3 0.12 1 487 . 46 VAL N N 125.9 0.15 1 488 . 46 VAL H H 8.46 0.03 1 489 . 46 VAL CA C 60.9 0.12 1 490 . 46 VAL HA H 5.06 0.03 1 491 . 46 VAL CB C 33.5 0.12 1 492 . 46 VAL HB H 1.89 0.03 1 493 . 46 VAL HG1 H 0.64 0.03 2 494 . 46 VAL HG2 H 0.82 0.03 2 495 . 46 VAL CG1 C 21.1 0.12 1 496 . 46 VAL CG2 C 21.4 0.12 1 497 . 46 VAL C C 175.7 0.12 1 498 . 47 LEU N N 127.2 0.15 1 499 . 47 LEU H H 9.53 0.03 1 500 . 47 LEU CA C 53.1 0.12 1 501 . 47 LEU HA H 4.93 0.03 1 502 . 47 LEU CB C 44.9 0.12 1 503 . 47 LEU HB2 H 1.17 0.03 2 504 . 47 LEU HB3 H 1.64 0.03 2 505 . 47 LEU CG C 26.7 0.12 1 506 . 47 LEU HG H 1.49 0.03 1 507 . 47 LEU HD1 H 0.70 0.03 2 508 . 47 LEU HD2 H 0.75 0.03 2 509 . 47 LEU CD1 C 25.4 0.12 1 510 . 47 LEU CD2 C 26.2 0.12 1 511 . 47 LEU C C 174.3 0.12 1 512 . 48 GLN N N 121.9 0.15 1 513 . 48 GLN H H 8.61 0.03 1 514 . 48 GLN CA C 53.8 0.12 1 515 . 48 GLN HA H 4.78 0.03 1 516 . 48 GLN CB C 30.1 0.12 1 517 . 48 GLN HB2 H 1.13 0.03 2 518 . 48 GLN HB3 H 1.73 0.03 2 519 . 48 GLN CG C 32.9 0.12 1 520 . 48 GLN HG2 H 2.29 0.03 2 521 . 48 GLN HG3 H 2.40 0.03 2 522 . 48 GLN CD C 178.8 0.12 1 523 . 48 GLN NE2 N 115.6 0.15 1 524 . 48 GLN HE21 H 6.95 0.03 2 525 . 48 GLN HE22 H 7.97 0.03 2 526 . 48 GLN C C 175.6 0.12 1 527 . 49 LEU N N 129.1 0.15 1 528 . 49 LEU H H 8.95 0.03 1 529 . 49 LEU CA C 55.3 0.12 1 530 . 49 LEU HA H 4.48 0.03 1 531 . 49 LEU CB C 41.7 0.12 1 532 . 49 LEU HB2 H 1.73 0.03 2 533 . 49 LEU HB3 H 2.13 0.03 2 534 . 49 LEU CG C 28.7 0.12 1 535 . 49 LEU HG H 1.41 0.03 1 536 . 49 LEU HD1 H 0.63 0.03 2 537 . 49 LEU HD2 H 0.66 0.03 2 538 . 49 LEU CD1 C 24.3 0.12 1 539 . 49 LEU CD2 C 24.4 0.12 1 540 . 49 LEU C C 177.2 0.12 1 541 . 50 GLU N N 119.6 0.15 1 542 . 50 GLU H H 8.37 0.03 1 543 . 50 GLU CA C 59.8 0.12 1 544 . 50 GLU HA H 3.87 0.03 1 545 . 50 GLU CB C 30.1 0.12 1 546 . 50 GLU HB2 H 2.06 0.03 1 547 . 50 GLU HB3 H 2.06 0.03 1 548 . 50 GLU CG C 36.3 0.12 1 549 . 50 GLU HG2 H 2.20 0.03 1 550 . 50 GLU HG3 H 2.20 0.03 1 551 . 50 GLU C C 175.4 0.12 1 552 . 51 LYS N N 113.8 0.15 1 553 . 51 LYS H H 8.10 0.03 1 554 . 51 LYS CA C 53.7 0.12 1 555 . 51 LYS HA H 4.56 0.03 1 556 . 51 LYS CB C 34.8 0.12 1 557 . 51 LYS HB2 H 1.83 0.03 2 558 . 51 LYS HB3 H 1.91 0.03 2 559 . 51 LYS CG C 23.0 0.12 1 560 . 51 LYS HG2 H 1.14 0.03 2 561 . 51 LYS HG3 H 1.34 0.03 2 562 . 51 LYS CD C 29.5 0.12 1 563 . 51 LYS HD2 H 1.66 0.03 1 564 . 51 LYS HD3 H 1.66 0.03 1 565 . 51 LYS CE C 42.2 0.12 1 566 . 51 LYS HE2 H 3.00 0.03 1 567 . 51 LYS HE3 H 3.00 0.03 1 568 . 51 LYS C C 173.3 0.12 1 569 . 52 GLU N N 115.9 0.15 1 570 . 52 GLU H H 8.10 0.03 1 571 . 52 GLU CA C 56.6 0.12 1 572 . 52 GLU HA H 4.20 0.03 1 573 . 52 GLU CB C 29.8 0.12 1 574 . 52 GLU HB2 H 1.69 0.03 2 575 . 52 GLU HB3 H 1.84 0.03 2 576 . 52 GLU CG C 37.3 0.12 1 577 . 52 GLU HG2 H 1.97 0.03 2 578 . 52 GLU HG3 H 2.13 0.03 2 579 . 52 GLU C C 176.5 0.12 1 580 . 53 GLU N N 124.7 0.15 1 581 . 53 GLU H H 8.65 0.03 1 582 . 53 GLU CA C 54.8 0.12 1 583 . 53 GLU HA H 4.84 0.03 1 584 . 53 GLU CB C 34.3 0.12 1 585 . 53 GLU HB2 H 1.52 0.03 2 586 . 53 GLU HB3 H 2.05 0.03 2 587 . 53 GLU CG C 35.5 0.12 1 588 . 53 GLU HG2 H 2.42 0.03 2 589 . 53 GLU HG3 H 2.50 0.03 2 590 . 53 GLU C C 175.3 0.12 1 591 . 54 GLN N N 121.8 0.15 1 592 . 54 GLN H H 8.89 0.03 1 593 . 54 GLN CA C 54.9 0.12 1 594 . 54 GLN HA H 4.85 0.03 1 595 . 54 GLN CB C 30.1 0.12 1 596 . 54 GLN HB2 H 1.76 0.03 2 597 . 54 GLN HB3 H 1.96 0.03 2 598 . 54 GLN CG C 34.3 0.12 1 599 . 54 GLN HG2 H 2.21 0.03 2 600 . 54 GLN HG3 H 2.58 0.03 2 601 . 54 GLN CD C 180.4 0.12 1 602 . 54 GLN NE2 N 111.3 0.15 1 603 . 54 GLN HE21 H 6.90 0.03 2 604 . 54 GLN HE22 H 7.54 0.03 2 605 . 54 GLN C C 174.6 0.12 1 606 . 55 ILE N N 127.5 0.15 1 607 . 55 ILE H H 10.00 0.03 1 608 . 55 ILE CA C 61.9 0.12 1 609 . 55 ILE HA H 4.14 0.03 1 610 . 55 ILE CB C 38.3 0.12 1 611 . 55 ILE HB H 1.93 0.03 1 612 . 55 ILE HG2 H 1.02 0.03 1 613 . 55 ILE CG2 C 20.0 0.12 1 614 . 55 ILE CG1 C 28.6 0.12 1 615 . 55 ILE HG12 H 0.90 0.03 2 616 . 55 ILE HG13 H 1.64 0.03 2 617 . 55 ILE HD1 H 0.64 0.03 1 618 . 55 ILE CD1 C 13.9 0.12 1 619 . 55 ILE C C 174.6 0.12 1 620 . 56 HIS N N 128.4 0.15 1 621 . 56 HIS H H 9.78 0.03 1 622 . 56 HIS CA C 57.7 0.12 1 623 . 56 HIS HA H 4.60 0.03 1 624 . 56 HIS CB C 34.8 0.12 1 625 . 56 HIS HB2 H 2.65 0.03 2 626 . 56 HIS HB3 H 2.86 0.03 2 627 . 56 HIS CD2 C 118.7 0.12 1 628 . 56 HIS HD2 H 6.95 0.03 1 629 . 56 HIS C C 173.7 0.12 1 630 . 57 SER N N 106.0 0.15 1 631 . 57 SER H H 7.84 0.03 1 632 . 57 SER CA C 57.4 0.12 1 633 . 57 SER HA H 5.17 0.03 1 634 . 57 SER CB C 66.6 0.12 1 635 . 57 SER HB2 H 3.83 0.03 2 636 . 57 SER HB3 H 4.00 0.03 2 637 . 57 SER C C 172.8 0.12 1 638 . 58 VAL N N 119.4 0.15 1 639 . 58 VAL H H 8.79 0.03 1 640 . 58 VAL CA C 60.7 0.12 1 641 . 58 VAL HA H 4.97 0.03 1 642 . 58 VAL CB C 36.6 0.12 1 643 . 58 VAL HB H 2.01 0.03 1 644 . 58 VAL HG1 H 0.80 0.03 2 645 . 58 VAL HG2 H 0.81 0.03 2 646 . 58 VAL CG1 C 20.9 0.12 1 647 . 58 VAL CG2 C 22.2 0.12 1 648 . 58 VAL C C 172.9 0.12 1 649 . 59 ASP N N 127.3 0.15 1 650 . 59 ASP H H 9.43 0.03 1 651 . 59 ASP CA C 52.6 0.12 1 652 . 59 ASP HA H 5.62 0.03 1 653 . 59 ASP CB C 43.5 0.12 1 654 . 59 ASP HB2 H 2.69 0.03 2 655 . 59 ASP HB3 H 2.83 0.03 2 656 . 59 ASP C C 175.2 0.12 1 657 . 60 ILE N N 120.9 0.15 1 658 . 60 ILE H H 9.10 0.03 1 659 . 60 ILE CA C 60.6 0.12 1 660 . 60 ILE HA H 4.30 0.03 1 661 . 60 ILE CB C 41.9 0.12 1 662 . 60 ILE HB H 2.03 0.03 1 663 . 60 ILE HG2 H 0.51 0.03 1 664 . 60 ILE CG2 C 19.2 0.12 1 665 . 60 ILE CG1 C 28.1 0.12 1 666 . 60 ILE HG12 H 1.00 0.03 2 667 . 60 ILE HG13 H 1.66 0.03 2 668 . 60 ILE HD1 H 0.70 0.03 1 669 . 60 ILE CD1 C 13.2 0.12 1 670 . 60 ILE C C 173.4 0.12 1 671 . 61 GLY N N 114.6 0.15 1 672 . 61 GLY H H 7.98 0.03 1 673 . 61 GLY CA C 45.6 0.12 1 674 . 61 GLY HA2 H 2.41 0.03 2 675 . 61 GLY HA3 H 4.48 0.03 2 676 . 61 GLY C C 173.8 0.12 1 677 . 62 ASN N N 124.6 0.15 1 678 . 62 ASN H H 8.84 0.03 1 679 . 62 ASN CA C 52.6 0.12 1 680 . 62 ASN HA H 4.67 0.03 1 681 . 62 ASN CB C 40.5 0.12 1 682 . 62 ASN HB2 H 2.67 0.03 2 683 . 62 ASN HB3 H 3.12 0.03 2 684 . 62 ASN C C 176.1 0.12 1 685 . 63 ASP N N 127.0 0.15 1 686 . 63 ASP H H 8.19 0.03 1 687 . 63 ASP CA C 54.9 0.12 1 688 . 63 ASP HA H 4.60 0.03 1 689 . 63 ASP CB C 40.7 0.12 1 690 . 63 ASP HB2 H 2.65 0.03 2 691 . 63 ASP HB3 H 2.76 0.03 2 692 . 63 ASP C C 175.7 0.12 1 693 . 64 GLY N N 108.1 0.15 1 694 . 64 GLY H H 9.18 0.03 1 695 . 64 GLY CA C 46.7 0.12 1 696 . 64 GLY HA2 H 3.82 0.03 2 697 . 64 GLY HA3 H 4.46 0.03 2 698 . 64 GLY C C 176.1 0.12 1 699 . 65 SER N N 118.9 0.15 1 700 . 65 SER H H 9.23 0.03 1 701 . 65 SER CA C 60.8 0.12 1 702 . 65 SER HA H 4.19 0.03 1 703 . 65 SER CB C 62.8 0.12 1 704 . 65 SER HB2 H 3.71 0.03 2 705 . 65 SER HB3 H 4.04 0.03 2 706 . 65 SER C C 173.7 0.12 1 707 . 66 ALA N N 125.0 0.15 1 708 . 66 ALA H H 8.53 0.03 1 709 . 66 ALA CA C 54.0 0.12 1 710 . 66 ALA HA H 4.46 0.03 1 711 . 66 ALA HB H 1.37 0.03 1 712 . 66 ALA CB C 20.4 0.12 1 713 . 66 ALA C C 178.1 0.12 1 714 . 67 PHE N N 114.7 0.15 1 715 . 67 PHE H H 8.14 0.03 1 716 . 67 PHE CA C 55.7 0.12 1 717 . 67 PHE HA H 5.94 0.03 1 718 . 67 PHE CB C 43.6 0.12 1 719 . 67 PHE HB2 H 2.81 0.03 2 720 . 67 PHE HB3 H 3.11 0.03 2 721 . 67 PHE HD1 H 6.95 0.03 1 722 . 67 PHE HD2 H 6.95 0.03 1 723 . 67 PHE HE1 H 7.24 0.03 1 724 . 67 PHE HE2 H 7.24 0.03 1 725 . 67 PHE CD1 C 132.2 0.12 1 726 . 67 PHE CE1 C 128.9 0.12 1 727 . 67 PHE CZ C 130.7 0.12 1 728 . 67 PHE HZ H 7.52 0.03 1 729 . 67 PHE CE2 C 128.9 0.12 1 730 . 67 PHE CD2 C 132.2 0.12 1 731 . 67 PHE C C 174.7 0.12 1 732 . 68 VAL N N 119.4 0.15 1 733 . 68 VAL H H 8.76 0.03 1 734 . 68 VAL CA C 61.8 0.12 1 735 . 68 VAL HA H 5.11 0.03 1 736 . 68 VAL CB C 36.5 0.12 1 737 . 68 VAL HB H 1.77 0.03 1 738 . 68 VAL HG1 H 0.46 0.03 2 739 . 68 VAL HG2 H 0.87 0.03 2 740 . 68 VAL CG1 C 22.1 0.12 1 741 . 68 VAL CG2 C 22.2 0.12 1 742 . 68 VAL C C 173.1 0.12 1 743 . 69 GLU N N 129.0 0.15 1 744 . 69 GLU H H 8.96 0.03 1 745 . 69 GLU CA C 54.6 0.12 1 746 . 69 GLU HA H 4.68 0.03 1 747 . 69 GLU CB C 35.2 0.12 1 748 . 69 GLU HB2 H 2.03 0.03 1 749 . 69 GLU HB3 H 2.03 0.03 1 750 . 69 GLU CG C 36.6 0.12 1 751 . 69 GLU HG2 H 2.00 0.03 2 752 . 69 GLU HG3 H 2.55 0.03 2 753 . 69 GLU C C 174.7 0.12 1 754 . 70 VAL N N 121.7 0.15 1 755 . 70 VAL H H 8.65 0.03 1 756 . 70 VAL CA C 61.5 0.12 1 757 . 70 VAL HA H 5.19 0.03 1 758 . 70 VAL CB C 34.3 0.12 1 759 . 70 VAL HB H 2.05 0.03 1 760 . 70 VAL HG1 H 0.92 0.03 2 761 . 70 VAL HG2 H 1.02 0.03 2 762 . 70 VAL CG1 C 21.4 0.12 1 763 . 70 VAL CG2 C 22.5 0.12 1 764 . 70 VAL C C 174.4 0.12 1 765 . 71 LEU N N 129.8 0.15 1 766 . 71 LEU H H 10.07 0.03 1 767 . 71 LEU CA C 54.7 0.12 1 768 . 71 LEU HA H 5.24 0.03 1 769 . 71 LEU CB C 45.6 0.12 1 770 . 71 LEU HB2 H 1.31 0.03 2 771 . 71 LEU HB3 H 1.71 0.03 2 772 . 71 LEU CG C 29.3 0.12 1 773 . 71 LEU HG H 1.43 0.03 1 774 . 71 LEU HD1 H 0.69 0.03 2 775 . 71 LEU HD2 H 0.68 0.03 2 776 . 71 LEU CD1 C 26.5 0.12 1 777 . 71 LEU CD2 C 27.5 0.12 1 778 . 71 LEU C C 174.7 0.12 1 779 . 72 VAL N N 112.9 0.15 1 780 . 72 VAL H H 9.15 0.03 1 781 . 72 VAL CA C 58.4 0.12 1 782 . 72 VAL HA H 4.98 0.03 1 783 . 72 VAL CB C 36.6 0.12 1 784 . 72 VAL HB H 1.01 0.03 1 785 . 72 VAL HG1 H -0.66 0.03 2 786 . 72 VAL HG2 H 0.52 0.03 2 787 . 72 VAL CG1 C 17.0 0.12 1 788 . 72 VAL CG2 C 24.8 0.12 1 789 . 72 VAL C C 174.0 0.12 1 790 . 73 GLY N N 106.7 0.15 1 791 . 73 GLY H H 8.28 0.03 1 792 . 73 GLY CA C 44.7 0.12 1 793 . 73 GLY HA2 H 2.79 0.03 2 794 . 73 GLY HA3 H 4.34 0.03 2 795 . 73 GLY C C 172.2 0.12 1 796 . 74 SER N N 113.5 0.15 1 797 . 74 SER H H 8.62 0.03 1 798 . 74 SER CA C 55.2 0.12 1 799 . 74 SER HA H 5.64 0.03 1 800 . 74 SER CB C 65.2 0.12 1 801 . 74 SER HB2 H 3.80 0.03 2 802 . 74 SER HB3 H 3.97 0.03 2 803 . 74 SER C C 176.6 0.12 1 804 . 75 SER N N 127.0 0.15 1 805 . 75 SER H H 11.03 0.03 1 806 . 75 SER CA C 60.6 0.12 1 807 . 75 SER HA H 3.97 0.03 1 808 . 75 SER CB C 62.2 0.12 1 809 . 75 SER HB2 H 3.98 0.03 1 810 . 75 SER HB3 H 3.98 0.03 1 811 . 75 SER C C 175.5 0.12 1 812 . 76 ALA N N 125.7 0.15 1 813 . 76 ALA H H 8.18 0.03 1 814 . 76 ALA CA C 52.9 0.12 1 815 . 76 ALA HA H 4.38 0.03 1 816 . 76 ALA HB H 1.34 0.03 1 817 . 76 ALA CB C 18.9 0.12 1 818 . 76 ALA C C 178.4 0.12 1 819 . 77 GLY N N 107.2 0.15 1 820 . 77 GLY H H 8.02 0.03 1 821 . 77 GLY CA C 45.4 0.12 1 822 . 77 GLY HA2 H 3.94 0.03 2 823 . 77 GLY HA3 H 4.07 0.03 2 824 . 77 GLY C C 174.9 0.12 1 825 . 78 GLY N N 108.8 0.15 1 826 . 78 GLY H H 8.22 0.03 1 827 . 78 GLY CA C 45.3 0.12 1 828 . 78 GLY HA2 H 3.98 0.03 1 829 . 78 GLY HA3 H 3.98 0.03 1 830 . 78 GLY C C 174.2 0.12 1 831 . 79 ALA N N 123.8 0.15 1 832 . 79 ALA H H 8.39 0.03 1 833 . 79 ALA CA C 52.3 0.12 1 834 . 79 ALA HA H 4.35 0.03 1 835 . 79 ALA HB H 1.40 0.03 1 836 . 79 ALA CB C 19.1 0.12 1 837 . 79 ALA C C 178.5 0.12 1 838 . 80 GLY N N 109.3 0.15 1 839 . 80 GLY H H 8.65 0.03 1 840 . 80 GLY CA C 45.2 0.12 1 841 . 80 GLY HA2 H 3.95 0.03 2 842 . 80 GLY HA3 H 4.05 0.03 2 843 . 80 GLY C C 174.8 0.12 1 844 . 81 GLU N N 120.1 0.15 1 845 . 81 GLU H H 8.37 0.03 1 846 . 81 GLU CA C 57.5 0.12 1 847 . 81 GLU HA H 4.05 0.03 1 848 . 81 GLU CB C 29.5 0.12 1 849 . 81 GLU HB2 H 1.84 0.03 2 850 . 81 GLU HB3 H 1.86 0.03 2 851 . 81 GLU CG C 36.4 0.12 1 852 . 81 GLU HG2 H 2.07 0.03 2 853 . 81 GLU HG3 H 2.14 0.03 2 854 . 81 GLU C C 177.4 0.12 1 855 . 82 GLN N N 118.7 0.15 1 856 . 82 GLN H H 8.41 0.03 1 857 . 82 GLN CA C 56.0 0.12 1 858 . 82 GLN HA H 4.31 0.03 1 859 . 82 GLN CB C 28.6 0.12 1 860 . 82 GLN HB2 H 1.99 0.03 2 861 . 82 GLN HB3 H 2.16 0.03 2 862 . 82 GLN CG C 33.8 0.12 1 863 . 82 GLN HG2 H 2.32 0.03 1 864 . 82 GLN HG3 H 2.32 0.03 1 865 . 82 GLN CD C 180.8 0.12 1 866 . 82 GLN NE2 N 112.9 0.15 1 867 . 82 GLN HE21 H 6.83 0.03 2 868 . 82 GLN HE22 H 7.53 0.03 2 869 . 82 GLN C C 175.7 0.12 1 870 . 83 ASP N N 120.5 0.15 1 871 . 83 ASP H H 8.07 0.03 1 872 . 83 ASP CA C 54.3 0.12 1 873 . 83 ASP HA H 4.74 0.03 1 874 . 83 ASP CB C 41.4 0.12 1 875 . 83 ASP HB2 H 2.56 0.03 2 876 . 83 ASP HB3 H 2.72 0.03 2 877 . 83 ASP C C 175.7 0.12 1 878 . 84 TYR N N 120.5 0.15 1 879 . 84 TYR H H 7.77 0.03 1 880 . 84 TYR CA C 57.6 0.12 1 881 . 84 TYR HA H 4.80 0.03 1 882 . 84 TYR CB C 41.1 0.12 1 883 . 84 TYR HB2 H 2.60 0.03 2 884 . 84 TYR HB3 H 2.68 0.03 2 885 . 84 TYR HD1 H 6.70 0.03 1 886 . 84 TYR HD2 H 6.70 0.03 1 887 . 84 TYR HE1 H 6.40 0.03 1 888 . 84 TYR HE2 H 6.40 0.03 1 889 . 84 TYR CD1 C 132.3 0.12 1 890 . 84 TYR CE1 C 117.2 0.12 1 891 . 84 TYR CE2 C 117.2 0.12 1 892 . 84 TYR CD2 C 132.3 0.12 1 893 . 84 TYR C C 175.9 0.12 1 894 . 85 GLU N N 120.8 0.15 1 895 . 85 GLU H H 8.95 0.03 1 896 . 85 GLU CA C 54.3 0.12 1 897 . 85 GLU HA H 4.64 0.03 1 898 . 85 GLU CB C 32.4 0.12 1 899 . 85 GLU HB2 H 1.46 0.03 2 900 . 85 GLU HB3 H 1.89 0.03 2 901 . 85 GLU CG C 36.3 0.12 1 902 . 85 GLU HG2 H 2.19 0.03 2 903 . 85 GLU HG3 H 2.29 0.03 2 904 . 85 GLU C C 175.8 0.12 1 905 . 86 VAL N N 123.3 0.15 1 906 . 86 VAL H H 8.48 0.03 1 907 . 86 VAL CA C 65.4 0.12 1 908 . 86 VAL HA H 3.58 0.03 1 909 . 86 VAL CB C 32.1 0.12 1 910 . 86 VAL HB H 1.96 0.03 1 911 . 86 VAL HG1 H 0.89 0.03 2 912 . 86 VAL HG2 H 1.01 0.03 2 913 . 86 VAL CG1 C 21.7 0.12 1 914 . 86 VAL CG2 C 22.2 0.12 1 915 . 86 VAL C C 173.8 0.12 1 916 . 87 LEU N N 126.7 0.15 1 917 . 87 LEU H H 8.77 0.03 1 918 . 87 LEU CA C 55.3 0.12 1 919 . 87 LEU HA H 4.54 0.03 1 920 . 87 LEU CB C 45.6 0.12 1 921 . 87 LEU HB2 H 1.36 0.03 1 922 . 87 LEU HB3 H 1.36 0.03 1 923 . 87 LEU CG C 27.0 0.12 1 924 . 87 LEU HG H 1.63 0.03 1 925 . 87 LEU HD1 H 0.80 0.03 2 926 . 87 LEU HD2 H 0.96 0.03 2 927 . 87 LEU CD1 C 26.5 0.12 1 928 . 87 LEU CD2 C 23.6 0.12 1 929 . 87 LEU C C 174.7 0.12 1 930 . 88 LEU N N 121.2 0.15 1 931 . 88 LEU H H 8.42 0.03 1 932 . 88 LEU CA C 53.2 0.12 1 933 . 88 LEU HA H 4.84 0.03 1 934 . 88 LEU CB C 46.3 0.12 1 935 . 88 LEU HB2 H 0.69 0.03 2 936 . 88 LEU HB3 H 1.63 0.03 2 937 . 88 LEU CG C 26.2 0.12 1 938 . 88 LEU HG H 1.45 0.03 1 939 . 88 LEU HD1 H -0.08 0.03 2 940 . 88 LEU HD2 H 0.40 0.03 2 941 . 88 LEU CD1 C 25.2 0.12 1 942 . 88 LEU CD2 C 23.4 0.12 1 943 . 88 LEU C C 174.7 0.12 1 944 . 89 VAL N N 123.3 0.15 1 945 . 89 VAL H H 8.14 0.03 1 946 . 89 VAL CA C 61.9 0.12 1 947 . 89 VAL HA H 4.02 0.03 1 948 . 89 VAL CB C 32.4 0.12 1 949 . 89 VAL HB H 2.04 0.03 1 950 . 89 VAL HG1 H 0.92 0.03 2 951 . 89 VAL HG2 H 1.02 0.03 2 952 . 89 VAL CG1 C 20.2 0.12 1 953 . 89 VAL CG2 C 21.4 0.12 1 954 . 89 VAL C C 174.7 0.12 1 955 . 90 THR N N 117.2 0.15 1 956 . 90 THR H H 8.05 0.03 1 957 . 90 THR CA C 65.6 0.12 1 958 . 90 THR HA H 3.88 0.03 1 959 . 90 THR CB C 69.4 0.12 1 960 . 90 THR HB H 3.80 0.03 1 961 . 90 THR HG2 H 0.97 0.03 1 962 . 90 THR CG2 C 22.2 0.12 1 963 . 90 THR C C 175.2 0.12 1 964 . 91 SER N N 125.8 0.15 1 965 . 91 SER H H 9.24 0.03 1 966 . 91 SER CA C 58.7 0.12 1 967 . 91 SER HA H 5.06 0.03 1 968 . 91 SER CB C 66.7 0.12 1 969 . 91 SER HB2 H 3.84 0.03 2 970 . 91 SER HB3 H 3.94 0.03 2 971 . 91 SER C C 173.8 0.12 1 972 . 92 SER N N 119.3 0.15 1 973 . 92 SER H H 8.96 0.03 1 974 . 92 SER CA C 58.6 0.12 1 975 . 92 SER HA H 4.96 0.03 1 976 . 92 SER CB C 64.2 0.12 1 977 . 92 SER HB2 H 3.82 0.03 2 978 . 92 SER HB3 H 3.93 0.03 2 979 . 92 SER C C 175.7 0.12 1 980 . 93 PHE N N 125.1 0.15 1 981 . 93 PHE H H 9.19 0.03 1 982 . 93 PHE CA C 59.1 0.12 1 983 . 93 PHE HA H 4.36 0.03 1 984 . 93 PHE CB C 43.6 0.12 1 985 . 93 PHE HB2 H 2.58 0.03 2 986 . 93 PHE HB3 H 3.03 0.03 2 987 . 93 PHE HD1 H 7.24 0.03 1 988 . 93 PHE HD2 H 7.24 0.03 1 989 . 93 PHE C C 176.4 0.12 1 990 . 94 MET N N 119.8 0.15 1 991 . 94 MET H H 7.71 0.03 1 992 . 94 MET CA C 56.0 0.12 1 993 . 94 MET HA H 4.58 0.03 1 994 . 94 MET CB C 40.5 0.12 1 995 . 94 MET HB2 H 1.56 0.03 2 996 . 94 MET HB3 H 2.27 0.03 2 997 . 94 MET CG C 32.6 0.12 1 998 . 94 MET HG2 H 2.35 0.03 2 999 . 94 MET HG3 H 2.42 0.03 2 1000 . 94 MET C C 174.6 0.12 1 1001 . 95 SER N N 120.3 0.15 1 1002 . 95 SER H H 9.57 0.03 1 1003 . 95 SER CA C 56.6 0.12 1 1004 . 95 SER HA H 4.76 0.03 1 1005 . 95 SER CB C 63.0 0.12 1 1006 . 95 SER HB2 H 3.87 0.03 2 1007 . 95 SER HB3 H 4.41 0.03 2 1008 . 96 PRO CA C 66.8 0.12 1 1009 . 96 PRO HA H 3.34 0.03 1 1010 . 96 PRO CB C 31.9 0.12 1 1011 . 96 PRO C C 178.4 0.12 1 1012 . 97 SER N N 111.4 0.15 1 1013 . 97 SER H H 7.95 0.03 1 1014 . 97 SER CA C 61.6 0.12 1 1015 . 97 SER HA H 4.02 0.03 1 1016 . 97 SER CB C 62.2 0.12 1 1017 . 97 SER HB2 H 3.79 0.03 1 1018 . 97 SER HB3 H 3.79 0.03 1 1019 . 97 SER C C 178.7 0.12 1 1020 . 98 GLU N N 124.0 0.15 1 1021 . 98 GLU H H 7.92 0.03 1 1022 . 98 GLU CA C 58.9 0.12 1 1023 . 98 GLU HA H 3.71 0.03 1 1024 . 98 GLU CB C 29.0 0.12 1 1025 . 98 GLU HB2 H 2.05 0.03 2 1026 . 98 GLU HB3 H 2.14 0.03 2 1027 . 98 GLU CG C 37.3 0.12 1 1028 . 98 GLU HG2 H 2.35 0.03 2 1029 . 98 GLU HG3 H 2.42 0.03 2 1030 . 98 GLU C C 179.1 0.12 1 1031 . 99 SER N N 114.5 0.15 1 1032 . 99 SER H H 8.45 0.03 1 1033 . 99 SER CA C 62.3 0.12 1 1034 . 99 SER HA H 4.17 0.03 1 1035 . 99 SER CB C 62.8 0.12 1 1036 . 99 SER HB2 H 3.96 0.03 1 1037 . 99 SER HB3 H 3.96 0.03 1 1038 . 99 SER C C 176.0 0.12 1 1039 . 100 ARG N N 119.5 0.15 1 1040 . 100 ARG H H 7.78 0.03 1 1041 . 100 ARG CA C 59.4 0.12 1 1042 . 100 ARG HA H 4.06 0.03 1 1043 . 100 ARG CB C 30.7 0.12 1 1044 . 100 ARG HB2 H 1.81 0.03 2 1045 . 100 ARG HB3 H 1.91 0.03 2 1046 . 100 ARG CG C 29.0 0.12 1 1047 . 100 ARG HG2 H 1.61 0.03 2 1048 . 100 ARG HG3 H 1.83 0.03 2 1049 . 100 ARG CD C 43.6 0.12 1 1050 . 100 ARG HD2 H 3.13 0.03 2 1051 . 100 ARG HD3 H 3.33 0.03 2 1052 . 100 ARG C C 177.6 0.12 1 1053 . 101 SER N N 111.6 0.15 1 1054 . 101 SER H H 7.80 0.03 1 1055 . 101 SER CA C 58.5 0.12 1 1056 . 101 SER HA H 4.49 0.03 1 1057 . 101 SER CB C 64.7 0.12 1 1058 . 101 SER HB2 H 3.85 0.03 2 1059 . 101 SER HB3 H 4.04 0.03 2 1060 . 101 SER C C 175.4 0.12 1 1061 . 102 GLY N N 113.4 0.15 1 1062 . 102 GLY H H 8.00 0.03 1 1063 . 102 GLY CA C 46.3 0.12 1 1064 . 102 GLY HA2 H 3.82 0.03 2 1065 . 102 GLY HA3 H 3.98 0.03 2 1066 . 102 GLY C C 174.8 0.12 1 1067 . 103 SER N N 116.6 0.15 1 1068 . 103 SER H H 8.15 0.03 1 1069 . 103 SER CA C 58.0 0.12 1 1070 . 103 SER HA H 4.36 0.03 1 1071 . 103 SER CB C 64.1 0.12 1 1072 . 103 SER HB2 H 3.56 0.03 2 1073 . 103 SER HB3 H 3.74 0.03 2 1074 . 103 SER C C 171.7 0.12 1 1075 . 104 ASN N N 113.8 0.15 1 1076 . 104 ASN H H 8.71 0.03 1 1077 . 104 ASN CA C 54.6 0.12 1 1078 . 104 ASN HA H 4.54 0.03 1 1079 . 104 ASN CB C 38.5 0.12 1 1080 . 104 ASN HB2 H 2.72 0.03 2 1081 . 104 ASN HB3 H 2.84 0.03 2 1082 . 104 ASN CG C 179.1 0.12 1 1083 . 104 ASN ND2 N 115.5 0.15 1 1084 . 104 ASN HD21 H 6.95 0.03 2 1085 . 104 ASN HD22 H 7.57 0.03 2 1086 . 105 PRO CA C 64.8 0.12 1 1087 . 105 PRO HA H 4.84 0.03 1 1088 . 105 PRO CB C 32.7 0.12 1 1089 . 105 PRO HB2 H 1.83 0.03 2 1090 . 105 PRO HB3 H 1.99 0.03 2 1091 . 105 PRO HD2 H 2.98 0.03 1 1092 . 105 PRO HD3 H 2.98 0.03 1 1093 . 105 PRO C C 176.5 0.12 1 1094 . 106 ASN N N 118.1 0.15 1 1095 . 106 ASN H H 8.47 0.03 1 1096 . 106 ASN CA C 52.4 0.12 1 1097 . 106 ASN HA H 5.34 0.03 1 1098 . 106 ASN CB C 40.0 0.12 1 1099 . 106 ASN HB2 H 2.73 0.03 2 1100 . 106 ASN HB3 H 3.10 0.03 2 1101 . 106 ASN CG C 178.5 0.12 1 1102 . 106 ASN ND2 N 111.6 0.15 1 1103 . 106 ASN HD21 H 7.10 0.03 2 1104 . 106 ASN HD22 H 7.63 0.03 2 1105 . 106 ASN C C 176.1 0.12 1 1106 . 107 ARG N N 120.1 0.15 1 1107 . 107 ARG H H 8.19 0.03 1 1108 . 107 ARG CA C 59.6 0.12 1 1109 . 107 ARG HA H 4.57 0.03 1 1110 . 107 ARG CB C 30.0 0.12 1 1111 . 107 ARG C C 175.6 0.12 1 1112 . 108 VAL N N 122.7 0.15 1 1113 . 108 VAL H H 8.39 0.03 1 1114 . 108 VAL CA C 60.5 0.12 1 1115 . 108 VAL HA H 5.23 0.03 1 1116 . 108 VAL CB C 33.8 0.12 1 1117 . 108 VAL HB H 2.05 0.03 1 1118 . 108 VAL HG1 H 0.98 0.03 2 1119 . 108 VAL HG2 H 1.24 0.03 2 1120 . 108 VAL CG1 C 21.1 0.12 1 1121 . 108 VAL CG2 C 21.4 0.12 1 1122 . 108 VAL C C 177.0 0.12 1 1123 . 109 ARG N N 125.6 0.15 1 1124 . 109 ARG H H 9.11 0.03 1 1125 . 109 ARG CA C 55.2 0.12 1 1126 . 109 ARG HA H 4.59 0.03 1 1127 . 109 ARG CB C 34.3 0.12 1 1128 . 109 ARG HB2 H 1.14 0.03 2 1129 . 109 ARG HB3 H 1.51 0.03 2 1130 . 109 ARG CG C 27.4 0.12 1 1131 . 109 ARG HG2 H 1.20 0.03 2 1132 . 109 ARG HG3 H 1.31 0.03 2 1133 . 109 ARG CD C 42.5 0.12 1 1134 . 109 ARG HD2 H 1.94 0.03 2 1135 . 109 ARG HD3 H 2.63 0.03 2 1136 . 109 ARG C C 176.3 0.12 1 1137 . 110 MET N N 121.7 0.15 1 1138 . 110 MET H H 8.08 0.03 1 1139 . 110 MET CA C 54.8 0.12 1 1140 . 110 MET HA H 5.15 0.03 1 1141 . 110 MET CB C 34.6 0.12 1 1142 . 110 MET HB2 H 1.83 0.03 2 1143 . 110 MET HB3 H 1.97 0.03 2 1144 . 110 MET CG C 32.6 0.12 1 1145 . 110 MET HG2 H 2.47 0.03 2 1146 . 110 MET HG3 H 2.55 0.03 2 1147 . 110 MET C C 175.4 0.12 1 1148 . 111 PHE N N 124.6 0.15 1 1149 . 111 PHE H H 9.60 0.03 1 1150 . 111 PHE CA C 57.1 0.12 1 1151 . 111 PHE HA H 4.57 0.03 1 1152 . 111 PHE CB C 40.3 0.12 1 1153 . 111 PHE HB2 H 2.72 0.03 2 1154 . 111 PHE HB3 H 3.18 0.03 2 1155 . 111 PHE HD1 H 7.18 0.03 1 1156 . 111 PHE HD2 H 7.18 0.03 1 1157 . 111 PHE C C 174.3 0.12 1 1158 . 112 GLY N N 111.0 0.15 1 1159 . 112 GLY H H 8.34 0.03 1 1160 . 112 GLY CA C 44.1 0.12 1 1161 . 112 GLY HA2 H 3.86 0.03 2 1162 . 112 GLY HA3 H 4.41 0.03 2 1163 . 113 PRO CD C 49.2 0.12 1 1164 . 113 PRO CA C 65.5 0.12 1 1165 . 113 PRO HA H 4.12 0.03 1 1166 . 113 PRO CB C 31.8 0.12 1 1167 . 113 PRO HB2 H 1.90 0.03 2 1168 . 113 PRO HB3 H 2.20 0.03 2 1169 . 113 PRO CG C 27.3 0.12 1 1170 . 113 PRO HG2 H 1.56 0.03 2 1171 . 113 PRO HG3 H 1.86 0.03 2 1172 . 113 PRO HD2 H 3.00 0.03 2 1173 . 113 PRO HD3 H 3.58 0.03 2 1174 . 113 PRO C C 178.8 0.12 1 1175 . 114 ASP N N 113.2 0.15 1 1176 . 114 ASP H H 8.71 0.03 1 1177 . 114 ASP CA C 55.2 0.12 1 1178 . 114 ASP HA H 4.47 0.03 1 1179 . 114 ASP CB C 39.7 0.12 1 1180 . 114 ASP HB2 H 2.74 0.03 1 1181 . 114 ASP HB3 H 2.74 0.03 1 1182 . 114 ASP C C 177.1 0.12 1 1183 . 115 LYS N N 118.3 0.15 1 1184 . 115 LYS H H 8.30 0.03 1 1185 . 115 LYS CA C 54.9 0.12 1 1186 . 115 LYS HA H 4.57 0.03 1 1187 . 115 LYS CB C 34.1 0.12 1 1188 . 115 LYS HB2 H 2.14 0.03 2 1189 . 115 LYS HB3 H 2.36 0.03 2 1190 . 115 LYS CG C 25.3 0.12 1 1191 . 115 LYS HG2 H 1.58 0.03 2 1192 . 115 LYS HG3 H 1.75 0.03 2 1193 . 115 LYS CD C 28.4 0.12 1 1194 . 115 LYS HD2 H 1.80 0.03 1 1195 . 115 LYS HD3 H 1.80 0.03 1 1196 . 115 LYS CE C 42.4 0.12 1 1197 . 115 LYS HE2 H 3.09 0.03 2 1198 . 115 LYS HE3 H 3.14 0.03 2 1199 . 115 LYS C C 175.9 0.12 1 1200 . 116 LEU N N 118.5 0.15 1 1201 . 116 LEU H H 7.09 0.03 1 1202 . 116 LEU CA C 53.2 0.12 1 1203 . 116 LEU HA H 4.81 0.03 1 1204 . 116 LEU CB C 42.5 0.12 1 1205 . 116 LEU HB2 H 1.39 0.03 2 1206 . 116 LEU HB3 H 1.68 0.03 2 1207 . 116 LEU CG C 26.0 0.12 1 1208 . 116 LEU HG H 1.99 0.03 1 1209 . 116 LEU HD1 H 0.66 0.03 2 1210 . 116 LEU HD2 H 0.71 0.03 2 1211 . 116 LEU CD1 C 22.6 0.12 1 1212 . 116 LEU CD2 C 26.1 0.12 1 1213 . 116 LEU C C 177.0 0.12 1 1214 . 117 VAL N N 123.5 0.15 1 1215 . 117 VAL H H 9.11 0.03 1 1216 . 117 VAL CA C 64.2 0.12 1 1217 . 117 VAL HA H 3.87 0.03 1 1218 . 117 VAL CB C 31.4 0.12 1 1219 . 117 VAL HB H 2.38 0.03 1 1220 . 117 VAL HG1 H 0.94 0.03 2 1221 . 117 VAL HG2 H 1.13 0.03 2 1222 . 117 VAL CG1 C 22.0 0.12 1 1223 . 117 VAL CG2 C 22.2 0.12 1 1224 . 117 VAL C C 178.2 0.12 1 1225 . 118 ARG N N 132.2 0.15 1 1226 . 118 ARG H H 8.69 0.03 1 1227 . 118 ARG CA C 59.6 0.12 1 1228 . 118 ARG HA H 3.92 0.03 1 1229 . 118 ARG CB C 28.9 0.12 1 1230 . 118 ARG HB2 H 1.97 0.03 2 1231 . 118 ARG HB3 H 2.01 0.03 2 1232 . 118 ARG CG C 25.8 0.12 1 1233 . 118 ARG HG2 H 1.82 0.03 1 1234 . 118 ARG HG3 H 1.82 0.03 1 1235 . 118 ARG CD C 42.6 0.12 1 1236 . 118 ARG HD2 H 3.29 0.03 1 1237 . 118 ARG HD3 H 3.29 0.03 1 1238 . 118 ARG C C 177.9 0.12 1 1239 . 119 ALA N N 117.8 0.15 1 1240 . 119 ALA H H 8.67 0.03 1 1241 . 119 ALA CA C 55.0 0.12 1 1242 . 119 ALA HA H 4.13 0.03 1 1243 . 119 ALA HB H 1.46 0.03 1 1244 . 119 ALA CB C 18.6 0.12 1 1245 . 119 ALA C C 180.2 0.12 1 1246 . 120 ALA N N 117.0 0.15 1 1247 . 120 ALA H H 6.89 0.03 1 1248 . 120 ALA CA C 54.0 0.12 1 1249 . 120 ALA HA H 4.66 0.03 1 1250 . 120 ALA HB H 1.44 0.03 1 1251 . 120 ALA CB C 19.9 0.12 1 1252 . 120 ALA C C 179.9 0.12 1 1253 . 121 ALA N N 122.2 0.15 1 1254 . 121 ALA H H 8.81 0.03 1 1255 . 121 ALA CA C 54.7 0.12 1 1256 . 121 ALA HA H 4.37 0.03 1 1257 . 121 ALA HB H 1.58 0.03 1 1258 . 121 ALA CB C 19.3 0.12 1 1259 . 121 ALA C C 179.0 0.12 1 1260 . 122 GLU N N 113.7 0.15 1 1261 . 122 GLU H H 7.72 0.03 1 1262 . 122 GLU CA C 56.9 0.12 1 1263 . 122 GLU HA H 4.20 0.03 1 1264 . 122 GLU CB C 30.4 0.12 1 1265 . 122 GLU HB2 H 2.00 0.03 2 1266 . 122 GLU HB3 H 2.17 0.03 2 1267 . 122 GLU CG C 36.7 0.12 1 1268 . 122 GLU HG2 H 2.42 0.03 2 1269 . 122 GLU HG3 H 2.50 0.03 2 1270 . 122 GLU C C 176.8 0.12 1 1271 . 123 LYS N N 120.0 0.15 1 1272 . 123 LYS H H 7.35 0.03 1 1273 . 123 LYS CA C 55.4 0.12 1 1274 . 123 LYS HA H 4.28 0.03 1 1275 . 123 LYS CB C 34.5 0.12 1 1276 . 123 LYS HB2 H 1.25 0.03 2 1277 . 123 LYS HB3 H 1.68 0.03 2 1278 . 123 LYS CG C 26.1 0.12 1 1279 . 123 LYS HG2 H 1.24 0.03 2 1280 . 123 LYS HG3 H 1.63 0.03 2 1281 . 123 LYS CD C 29.6 0.12 1 1282 . 123 LYS HD2 H 1.74 0.03 1 1283 . 123 LYS HD3 H 1.74 0.03 1 1284 . 123 LYS CE C 42.1 0.12 1 1285 . 123 LYS HE2 H 2.96 0.03 1 1286 . 123 LYS HE3 H 2.96 0.03 1 1287 . 123 LYS C C 173.3 0.12 1 1288 . 124 ARG N N 115.3 0.15 1 1289 . 124 ARG H H 7.26 0.03 1 1290 . 124 ARG CA C 54.5 0.12 1 1291 . 124 ARG HA H 4.57 0.03 1 1292 . 124 ARG CB C 32.7 0.12 1 1293 . 124 ARG HB2 H 1.15 0.03 2 1294 . 124 ARG HB3 H 1.30 0.03 2 1295 . 124 ARG CG C 28.2 0.12 1 1296 . 124 ARG HG2 H 1.22 0.03 2 1297 . 124 ARG HG3 H 1.49 0.03 2 1298 . 124 ARG CD C 43.5 0.12 1 1299 . 124 ARG HD2 H 2.96 0.03 2 1300 . 124 ARG HD3 H 3.06 0.03 2 1301 . 124 ARG C C 175.4 0.12 1 1302 . 125 TRP N N 120.7 0.15 1 1303 . 125 TRP H H 8.48 0.03 1 1304 . 125 TRP CA C 56.3 0.12 1 1305 . 125 TRP HA H 5.08 0.03 1 1306 . 125 TRP CB C 35.4 0.12 1 1307 . 125 TRP HB2 H 2.55 0.03 2 1308 . 125 TRP HB3 H 3.93 0.03 2 1309 . 125 TRP CD1 C 128.2 0.12 1 1310 . 125 TRP CE3 C 120.5 0.12 1 1311 . 125 TRP NE1 N 129.5 0.15 1 1312 . 125 TRP HD1 H 7.20 0.03 1 1313 . 125 TRP HE3 H 7.35 0.03 1 1314 . 125 TRP CZ3 C 120.5 0.12 1 1315 . 125 TRP CZ2 C 114.6 0.12 1 1316 . 125 TRP HE1 H 10.18 0.03 1 1317 . 125 TRP HZ3 H 7.01 0.03 1 1318 . 125 TRP CH2 C 123.5 0.12 1 1319 . 125 TRP HZ2 H 7.30 0.03 1 1320 . 125 TRP HH2 H 7.14 0.03 1 1321 . 125 TRP C C 175.8 0.12 1 1322 . 126 ASP N N 114.9 0.15 1 1323 . 126 ASP H H 8.18 0.03 1 1324 . 126 ASP CA C 53.3 0.12 1 1325 . 126 ASP HA H 5.13 0.03 1 1326 . 126 ASP CB C 41.7 0.12 1 1327 . 126 ASP HB2 H 2.21 0.03 2 1328 . 126 ASP HB3 H 2.91 0.03 2 1329 . 126 ASP C C 174.6 0.12 1 1330 . 127 ARG N N 119.3 0.15 1 1331 . 127 ARG H H 8.32 0.03 1 1332 . 127 ARG CA C 55.1 0.12 1 1333 . 127 ARG HA H 5.36 0.03 1 1334 . 127 ARG CB C 35.5 0.12 1 1335 . 127 ARG HB2 H 1.39 0.03 2 1336 . 127 ARG HB3 H 1.61 0.03 2 1337 . 127 ARG CG C 28.4 0.12 1 1338 . 127 ARG HG2 H 1.50 0.03 2 1339 . 127 ARG HG3 H 1.68 0.03 2 1340 . 127 ARG CD C 44.5 0.12 1 1341 . 127 ARG HD2 H 2.78 0.03 2 1342 . 127 ARG HD3 H 2.93 0.03 2 1343 . 127 ARG C C 174.8 0.12 1 1344 . 128 VAL N N 114.6 0.15 1 1345 . 128 VAL H H 8.41 0.03 1 1346 . 128 VAL CA C 58.7 0.12 1 1347 . 128 VAL HA H 4.97 0.03 1 1348 . 128 VAL CB C 35.5 0.12 1 1349 . 128 VAL HB H 1.56 0.03 1 1350 . 128 VAL HG1 H 0.44 0.03 2 1351 . 128 VAL HG2 H 0.43 0.03 2 1352 . 128 VAL CG1 C 20.1 0.12 1 1353 . 128 VAL CG2 C 21.6 0.12 1 1354 . 128 VAL C C 173.1 0.12 1 1355 . 129 LYS N N 126.9 0.15 1 1356 . 129 LYS H H 9.29 0.03 1 1357 . 129 LYS CA C 53.6 0.12 1 1358 . 129 LYS HA H 5.46 0.03 1 1359 . 129 LYS CB C 36.5 0.12 1 1360 . 129 LYS HB2 H 1.04 0.03 2 1361 . 129 LYS HB3 H 1.34 0.03 2 1362 . 129 LYS CG C 24.8 0.12 1 1363 . 129 LYS HG2 H 0.81 0.03 2 1364 . 129 LYS HG3 H 1.02 0.03 2 1365 . 129 LYS CD C 29.5 0.12 1 1366 . 129 LYS HD2 H 0.84 0.03 2 1367 . 129 LYS HD3 H 0.98 0.03 2 1368 . 129 LYS CE C 41.7 0.12 1 1369 . 129 LYS HE2 H 2.29 0.03 2 1370 . 129 LYS HE3 H 2.35 0.03 2 1371 . 129 LYS C C 174.0 0.12 1 1372 . 130 ILE N N 127.5 0.15 1 1373 . 130 ILE H H 9.12 0.03 1 1374 . 130 ILE CA C 60.5 0.12 1 1375 . 130 ILE HA H 4.94 0.03 1 1376 . 130 ILE CB C 40.0 0.12 1 1377 . 130 ILE HB H 1.82 0.03 1 1378 . 130 ILE HG2 H 1.03 0.03 1 1379 . 130 ILE CG2 C 19.7 0.12 1 1380 . 130 ILE CG1 C 28.7 0.12 1 1381 . 130 ILE HG12 H 1.08 0.03 2 1382 . 130 ILE HG13 H 1.62 0.03 2 1383 . 130 ILE HD1 H 0.90 0.03 1 1384 . 130 ILE CD1 C 15.6 0.12 1 1385 . 130 ILE C C 174.8 0.12 1 1386 . 131 VAL N N 126.9 0.15 1 1387 . 131 VAL H H 8.84 0.03 1 1388 . 131 VAL CA C 61.4 0.12 1 1389 . 131 VAL HA H 4.94 0.03 1 1390 . 131 VAL CB C 34.3 0.12 1 1391 . 131 VAL HB H 2.10 0.03 1 1392 . 131 VAL HG1 H 0.75 0.03 2 1393 . 131 VAL HG2 H 0.87 0.03 2 1394 . 131 VAL CG1 C 20.8 0.12 1 1395 . 131 VAL CG2 C 21.4 0.12 1 1396 . 131 VAL C C 177.0 0.12 1 1397 . 132 CYS N N 127.1 0.15 1 1398 . 132 CYS H H 9.47 0.03 1 1399 . 132 CYS CA C 57.4 0.12 1 1400 . 132 CYS HA H 5.51 0.03 1 1401 . 132 CYS CB C 29.7 0.12 1 1402 . 132 CYS HB2 H 2.75 0.03 2 1403 . 132 CYS HB3 H 3.43 0.03 2 1404 . 132 CYS C C 174.4 0.12 1 1405 . 133 SER N N 115.4 0.15 1 1406 . 133 SER H H 9.10 0.03 1 1407 . 133 SER CA C 56.9 0.12 1 1408 . 133 SER HA H 5.65 0.03 1 1409 . 133 SER CB C 66.5 0.12 1 1410 . 133 SER HB2 H 3.68 0.03 2 1411 . 133 SER HB3 H 3.81 0.03 2 1412 . 133 SER C C 174.3 0.12 1 1413 . 134 GLN N N 123.4 0.15 1 1414 . 134 GLN H H 8.55 0.03 1 1415 . 134 GLN CA C 52.2 0.12 1 1416 . 134 GLN HA H 4.18 0.03 1 1417 . 134 GLN CB C 27.1 0.12 1 1418 . 135 PRO CD C 49.5 0.12 1 1419 . 135 PRO CA C 63.0 0.12 1 1420 . 135 PRO HA H 4.35 0.03 1 1421 . 135 PRO CB C 32.1 0.12 1 1422 . 135 PRO HB2 H 1.87 0.03 2 1423 . 135 PRO HB3 H 2.21 0.03 2 1424 . 135 PRO CG C 27.0 0.12 1 1425 . 135 PRO HG2 H 1.88 0.03 1 1426 . 135 PRO HG3 H 1.88 0.03 1 1427 . 135 PRO HD2 H 2.89 0.03 2 1428 . 135 PRO HD3 H 3.10 0.03 2 1429 . 135 PRO C C 176.9 0.12 1 1430 . 136 TYR N N 118.0 0.15 1 1431 . 136 TYR H H 7.98 0.03 1 1432 . 136 TYR CA C 58.0 0.12 1 1433 . 136 TYR HA H 4.68 0.03 1 1434 . 136 TYR CB C 39.1 0.12 1 1435 . 136 TYR HB2 H 2.93 0.03 2 1436 . 136 TYR HB3 H 3.19 0.03 2 1437 . 136 TYR HD1 H 7.19 0.03 1 1438 . 136 TYR HD2 H 7.19 0.03 1 1439 . 136 TYR HE1 H 6.81 0.03 1 1440 . 136 TYR HE2 H 6.81 0.03 1 1441 . 136 TYR CD1 C 133.0 0.12 1 1442 . 136 TYR CE1 C 118.7 0.12 1 1443 . 136 TYR CE2 C 118.7 0.12 1 1444 . 136 TYR CD2 C 133.0 0.12 1 1445 . 136 TYR C C 175.4 0.12 1 1446 . 137 SER N N 111.7 0.15 1 1447 . 137 SER H H 6.99 0.03 1 1448 . 137 SER CA C 56.2 0.12 1 1449 . 137 SER HA H 4.60 0.03 1 1450 . 137 SER CB C 64.1 0.12 1 1451 . 137 SER HB2 H 3.34 0.03 2 1452 . 137 SER HB3 H 3.60 0.03 2 1453 . 137 SER C C 174.4 0.12 1 1454 . 138 LYS N N 124.5 0.15 1 1455 . 138 LYS H H 8.77 0.03 1 1456 . 138 LYS CA C 55.9 0.12 1 1457 . 138 LYS HA H 4.68 0.03 1 1458 . 138 LYS CB C 32.9 0.12 1 1459 . 138 LYS HB2 H 1.76 0.03 2 1460 . 138 LYS HB3 H 1.90 0.03 2 1461 . 138 LYS CG C 24.4 0.12 1 1462 . 138 LYS HG2 H 1.34 0.03 2 1463 . 138 LYS HG3 H 1.41 0.03 2 1464 . 138 LYS CD C 29.3 0.12 1 1465 . 138 LYS HD2 H 1.67 0.03 1 1466 . 138 LYS HD3 H 1.67 0.03 1 1467 . 138 LYS CE C 41.9 0.12 1 1468 . 138 LYS HE2 H 2.98 0.03 1 1469 . 138 LYS HE3 H 2.98 0.03 1 1470 . 138 LYS C C 176.1 0.12 1 1471 . 139 ASP N N 117.2 0.15 1 1472 . 139 ASP H H 7.92 0.03 1 1473 . 139 ASP CA C 56.0 0.12 1 1474 . 139 ASP HA H 4.53 0.03 1 1475 . 139 ASP CB C 41.9 0.12 1 1476 . 139 ASP HB2 H 2.60 0.03 2 1477 . 139 ASP HB3 H 2.71 0.03 2 1478 . 139 ASP C C 176.4 0.12 1 1479 . 140 SER N N 113.3 0.15 1 1480 . 140 SER H H 7.77 0.03 1 1481 . 140 SER CA C 56.0 0.12 1 1482 . 140 SER HA H 5.11 0.03 1 1483 . 140 SER CB C 64.8 0.12 1 1484 . 140 SER HB2 H 3.70 0.03 2 1485 . 140 SER HB3 H 3.85 0.03 2 1486 . 141 PRO CD C 51.2 0.12 1 1487 . 141 PRO CA C 63.3 0.12 1 1488 . 141 PRO HA H 4.37 0.03 1 1489 . 141 PRO CB C 32.7 0.12 1 1490 . 141 PRO HB2 H 1.61 0.03 2 1491 . 141 PRO HB3 H 1.70 0.03 2 1492 . 141 PRO CG C 27.8 0.12 1 1493 . 141 PRO HG2 H 2.05 0.03 2 1494 . 141 PRO HG3 H 2.10 0.03 2 1495 . 141 PRO HD2 H 3.67 0.03 2 1496 . 141 PRO HD3 H 3.83 0.03 2 1497 . 141 PRO C C 173.2 0.12 1 1498 . 142 PHE N N 114.4 0.15 1 1499 . 142 PHE H H 6.15 0.03 1 1500 . 142 PHE CA C 54.6 0.12 1 1501 . 142 PHE HA H 4.96 0.03 1 1502 . 142 PHE CB C 41.9 0.12 1 1503 . 142 PHE HB2 H 2.69 0.03 2 1504 . 142 PHE HB3 H 2.89 0.03 2 1505 . 142 PHE HD1 H 7.20 0.03 1 1506 . 142 PHE HD2 H 7.20 0.03 1 1507 . 142 PHE C C 171.7 0.12 1 1508 . 143 GLY N N 106.2 0.15 1 1509 . 143 GLY H H 7.59 0.03 1 1510 . 143 GLY CA C 45.9 0.12 1 1511 . 143 GLY HA2 H 2.81 0.03 2 1512 . 143 GLY HA3 H 4.36 0.03 2 1513 . 143 GLY C C 172.5 0.12 1 1514 . 144 LEU N N 122.4 0.15 1 1515 . 144 LEU H H 9.00 0.03 1 1516 . 144 LEU CA C 53.8 0.12 1 1517 . 144 LEU HA H 4.71 0.03 1 1518 . 144 LEU CB C 47.7 0.12 1 1519 . 144 LEU HB2 H 1.48 0.03 2 1520 . 144 LEU HB3 H 1.73 0.03 2 1521 . 144 LEU CG C 26.6 0.12 1 1522 . 144 LEU HG H 1.77 0.03 1 1523 . 144 LEU HD1 H 0.81 0.03 2 1524 . 144 LEU HD2 H 0.87 0.03 2 1525 . 144 LEU CD1 C 23.7 0.12 1 1526 . 144 LEU CD2 C 26.5 0.12 1 1527 . 144 LEU C C 175.3 0.12 1 1528 . 145 SER N N 114.9 0.15 1 1529 . 145 SER H H 8.54 0.03 1 1530 . 145 SER CA C 60.4 0.12 1 1531 . 145 SER HA H 4.47 0.03 1 1532 . 145 SER CB C 63.9 0.12 1 1533 . 145 SER HB2 H 3.58 0.03 2 1534 . 145 SER HB3 H 3.74 0.03 2 1535 . 145 SER C C 174.2 0.12 1 1536 . 146 PHE N N 111.2 0.15 1 1537 . 146 PHE H H 7.69 0.03 1 1538 . 146 PHE CA C 57.4 0.12 1 1539 . 146 PHE HA H 4.89 0.03 1 1540 . 146 PHE CB C 40.5 0.12 1 1541 . 146 PHE HB2 H 3.02 0.03 2 1542 . 146 PHE HB3 H 3.44 0.03 2 1543 . 146 PHE HD1 H 6.85 0.03 1 1544 . 146 PHE HD2 H 6.85 0.03 1 1545 . 146 PHE HE1 H 7.15 0.03 1 1546 . 146 PHE HE2 H 7.15 0.03 1 1547 . 146 PHE CD1 C 132.0 0.12 1 1548 . 146 PHE CE1 C 130.6 0.12 1 1549 . 146 PHE HZ H 7.26 0.03 1 1550 . 146 PHE CE2 C 130.6 0.12 1 1551 . 146 PHE CD2 C 132.0 0.12 1 1552 . 146 PHE C C 172.6 0.12 1 1553 . 147 VAL N N 115.5 0.15 1 1554 . 147 VAL H H 9.03 0.03 1 1555 . 147 VAL CA C 60.1 0.12 1 1556 . 147 VAL HA H 4.98 0.03 1 1557 . 147 VAL CB C 35.5 0.12 1 1558 . 147 VAL HB H 1.83 0.03 1 1559 . 147 VAL HG1 H 0.72 0.03 2 1560 . 147 VAL HG2 H 0.86 0.03 2 1561 . 147 VAL CG1 C 20.9 0.12 1 1562 . 147 VAL CG2 C 21.4 0.12 1 1563 . 147 VAL C C 173.3 0.12 1 1564 . 148 ARG N N 123.6 0.15 1 1565 . 148 ARG H H 8.94 0.03 1 1566 . 148 ARG CA C 55.1 0.12 1 1567 . 148 ARG HA H 4.57 0.03 1 1568 . 148 ARG CB C 34.8 0.12 1 1569 . 148 ARG HB2 H 1.73 0.03 2 1570 . 148 ARG HB3 H 1.84 0.03 2 1571 . 148 ARG CG C 28.0 0.12 1 1572 . 148 ARG HG2 H 1.57 0.03 2 1573 . 148 ARG HG3 H 1.79 0.03 2 1574 . 148 ARG CD C 43.7 0.12 1 1575 . 148 ARG HD2 H 3.16 0.03 2 1576 . 148 ARG HD3 H 3.22 0.03 2 1577 . 148 ARG NE N 84.5 0.15 1 1578 . 148 ARG HE H 7.51 0.03 1 1579 . 148 ARG C C 173.3 0.12 1 1580 . 149 PHE N N 123.0 0.15 1 1581 . 149 PHE H H 9.68 0.03 1 1582 . 149 PHE CA C 56.5 0.12 1 1583 . 149 PHE HA H 5.07 0.03 1 1584 . 149 PHE CB C 42.8 0.12 1 1585 . 149 PHE HB2 H 2.82 0.03 2 1586 . 149 PHE HB3 H 2.99 0.03 2 1587 . 149 PHE HD1 H 7.30 0.03 1 1588 . 149 PHE HD2 H 7.30 0.03 1 1589 . 149 PHE HE1 H 7.00 0.03 1 1590 . 149 PHE HE2 H 7.00 0.03 1 1591 . 149 PHE CD1 C 132.0 0.12 1 1592 . 149 PHE CE1 C 130.3 0.12 1 1593 . 149 PHE CZ C 128.8 0.12 1 1594 . 149 PHE HZ H 6.91 0.03 1 1595 . 149 PHE CE2 C 130.3 0.12 1 1596 . 149 PHE CD2 C 132.0 0.12 1 1597 . 149 PHE C C 174.4 0.12 1 1598 . 150 HIS N N 120.1 0.15 1 1599 . 150 HIS H H 8.85 0.03 1 1600 . 150 HIS CA C 54.9 0.12 1 1601 . 150 HIS HA H 5.49 0.03 1 1602 . 150 HIS CB C 32.7 0.12 1 1603 . 150 HIS HB2 H 3.22 0.03 2 1604 . 150 HIS HB3 H 3.33 0.03 2 1605 . 150 HIS CD2 C 119.3 0.12 1 1606 . 150 HIS CE1 C 138.6 0.12 1 1607 . 150 HIS HD2 H 6.64 0.03 1 1608 . 150 HIS HE1 H 7.81 0.03 1 1609 . 150 HIS C C 175.5 0.12 1 1610 . 151 SER N N 120.6 0.15 1 1611 . 151 SER H H 9.40 0.03 1 1612 . 151 SER CA C 56.2 0.12 1 1613 . 151 SER HA H 5.66 0.03 1 1614 . 151 SER CB C 63.0 0.12 1 1615 . 151 SER HB2 H 3.88 0.03 2 1616 . 151 SER HB3 H 4.52 0.03 2 1617 . 152 PRO CD C 50.3 0.12 1 1618 . 152 PRO CA C 62.8 0.12 1 1619 . 152 PRO HA H 4.69 0.03 1 1620 . 152 PRO CB C 34.3 0.12 1 1621 . 152 PRO HB2 H 2.18 0.03 2 1622 . 152 PRO HB3 H 2.37 0.03 2 1623 . 152 PRO CG C 25.0 0.12 1 1624 . 152 PRO HG2 H 1.84 0.03 2 1625 . 152 PRO HG3 H 1.97 0.03 2 1626 . 152 PRO HD2 H 3.51 0.03 2 1627 . 152 PRO HD3 H 3.59 0.03 2 1628 . 153 PRO CD C 49.4 0.12 1 1629 . 153 PRO CA C 62.8 0.12 1 1630 . 153 PRO HA H 4.54 0.03 1 1631 . 153 PRO CB C 32.1 0.12 1 1632 . 153 PRO HB2 H 2.01 0.03 2 1633 . 153 PRO HB3 H 2.55 0.03 2 1634 . 153 PRO CG C 26.7 0.12 1 1635 . 153 PRO HG2 H 2.09 0.03 1 1636 . 153 PRO HG3 H 2.09 0.03 1 1637 . 153 PRO HD2 H 3.29 0.03 2 1638 . 153 PRO HD3 H 3.46 0.03 2 1639 . 153 PRO C C 176.7 0.12 1 1640 . 154 ASP N N 121.6 0.15 1 1641 . 154 ASP H H 8.42 0.03 1 1642 . 154 ASP CA C 54.6 0.12 1 1643 . 154 ASP HA H 4.57 0.03 1 1644 . 154 ASP CB C 41.2 0.12 1 1645 . 154 ASP HB2 H 2.61 0.03 2 1646 . 154 ASP HB3 H 2.72 0.03 2 1647 . 154 ASP C C 176.5 0.12 1 1648 . 155 LYS N N 121.5 0.15 1 1649 . 155 LYS H H 8.26 0.03 1 1650 . 155 LYS CA C 56.6 0.12 1 1651 . 155 LYS HA H 4.29 0.03 1 1652 . 155 LYS CB C 33.2 0.12 1 1653 . 155 LYS HB2 H 1.79 0.03 1 1654 . 155 LYS HB3 H 1.79 0.03 1 1655 . 155 LYS CG C 24.8 0.12 1 1656 . 155 LYS HG2 H 1.40 0.03 1 1657 . 155 LYS HG3 H 1.40 0.03 1 1658 . 155 LYS CD C 29.1 0.12 1 1659 . 155 LYS HD2 H 1.70 0.03 1 1660 . 155 LYS HD3 H 1.70 0.03 1 1661 . 155 LYS CE C 42.1 0.12 1 1662 . 155 LYS HE2 H 3.00 0.03 1 1663 . 155 LYS HE3 H 3.00 0.03 1 1664 . 155 LYS C C 176.4 0.12 1 1665 . 156 ASP N N 121.6 0.15 1 1666 . 156 ASP H H 8.41 0.03 1 1667 . 156 ASP CA C 54.6 0.12 1 1668 . 156 ASP HA H 4.60 0.03 1 1669 . 156 ASP CB C 41.1 0.12 1 1670 . 156 ASP HB2 H 2.58 0.03 1 1671 . 156 ASP HB3 H 2.58 0.03 1 1672 . 156 ASP C C 176.5 0.12 1 1673 . 157 GLU N N 121.8 0.15 1 1674 . 157 GLU H H 8.26 0.03 1 1675 . 157 GLU CA C 56.5 0.12 1 1676 . 157 GLU HA H 4.25 0.03 1 1677 . 157 GLU CB C 30.3 0.12 1 1678 . 157 GLU HB2 H 1.98 0.03 1 1679 . 157 GLU HB3 H 1.98 0.03 1 1680 . 157 GLU CG C 36.2 0.12 1 1681 . 157 GLU HG2 H 2.25 0.03 1 1682 . 157 GLU HG3 H 2.25 0.03 1 1683 . 157 GLU C C 176.4 0.12 1 1684 . 158 ALA N N 124.8 0.15 1 1685 . 158 ALA H H 8.28 0.03 1 1686 . 158 ALA CA C 52.6 0.12 1 1687 . 158 ALA HA H 4.29 0.03 1 1688 . 158 ALA HB H 1.38 0.03 1 1689 . 158 ALA CB C 19.2 0.12 1 1690 . 158 ALA C C 177.9 0.12 1 1691 . 159 GLU N N 120.0 0.15 1 1692 . 159 GLU H H 8.24 0.03 1 1693 . 159 GLU CA C 56.1 0.12 1 1694 . 159 GLU HA H 4.26 0.03 1 1695 . 159 GLU CB C 30.3 0.12 1 1696 . 159 GLU HB2 H 1.94 0.03 1 1697 . 159 GLU HB3 H 1.94 0.03 1 1698 . 159 GLU CG C 36.3 0.12 1 1699 . 159 GLU HG2 H 2.25 0.03 1 1700 . 159 GLU HG3 H 2.25 0.03 1 1701 . 159 GLU C C 176.0 0.12 1 1702 . 160 ALA N N 126.8 0.15 1 1703 . 160 ALA H H 8.29 0.03 1 1704 . 160 ALA CA C 50.7 0.12 1 1705 . 160 ALA HA H 4.60 0.03 1 1706 . 160 ALA HB H 1.37 0.03 1 1707 . 160 ALA CB C 18.3 0.12 1 1708 . 161 PRO CD C 50.6 0.12 1 1709 . 161 PRO CA C 63.4 0.12 1 1710 . 161 PRO HA H 4.45 0.03 1 1711 . 161 PRO CB C 32.2 0.12 1 1712 . 161 PRO HB2 H 1.94 0.03 2 1713 . 161 PRO HB3 H 2.33 0.03 2 1714 . 161 PRO CG C 27.6 0.12 1 1715 . 161 PRO HG2 H 2.05 0.03 1 1716 . 161 PRO HG3 H 2.05 0.03 1 1717 . 161 PRO HD2 H 3.68 0.03 2 1718 . 161 PRO HD3 H 3.82 0.03 2 1719 . 161 PRO C C 177.3 0.12 1 1720 . 162 SER N N 115.9 0.15 1 1721 . 162 SER H H 8.38 0.03 1 1722 . 162 SER CA C 58.5 0.12 1 1723 . 162 SER HA H 4.40 0.03 1 1724 . 162 SER CB C 63.7 0.12 1 1725 . 162 SER HB2 H 3.87 0.03 1 1726 . 162 SER HB3 H 3.87 0.03 1 1727 . 162 SER C C 174.9 0.12 1 1728 . 163 GLN N N 122.1 0.15 1 1729 . 163 GLN H H 8.38 0.03 1 1730 . 163 GLN CA C 55.7 0.12 1 1731 . 163 GLN HA H 4.37 0.03 1 1732 . 163 GLN CB C 29.6 0.12 1 1733 . 163 GLN HB2 H 1.99 0.03 2 1734 . 163 GLN HB3 H 2.13 0.03 2 1735 . 163 GLN CG C 34.0 0.12 1 1736 . 163 GLN HG2 H 2.35 0.03 1 1737 . 163 GLN HG3 H 2.35 0.03 1 1738 . 163 GLN CD C 180.6 0.12 1 1739 . 163 GLN NE2 N 112.8 0.15 1 1740 . 163 GLN HE21 H 6.88 0.03 2 1741 . 163 GLN HE22 H 7.54 0.03 2 1742 . 163 GLN C C 175.9 0.12 1 1743 . 164 LYS N N 122.8 0.15 1 1744 . 164 LYS H H 8.28 0.03 1 1745 . 164 LYS CA C 56.3 0.12 1 1746 . 164 LYS HA H 4.30 0.03 1 1747 . 164 LYS CB C 32.8 0.12 1 1748 . 164 LYS HB2 H 1.79 0.03 1 1749 . 164 LYS HB3 H 1.79 0.03 1 1750 . 164 LYS CG C 24.9 0.12 1 1751 . 164 LYS HG2 H 1.46 0.03 1 1752 . 164 LYS HG3 H 1.46 0.03 1 1753 . 164 LYS CE C 42.2 0.12 1 1754 . 164 LYS HE2 H 3.00 0.03 1 1755 . 164 LYS HE3 H 3.00 0.03 1 1756 . 164 LYS C C 175.9 0.12 1 1757 . 165 VAL N N 122.1 0.15 1 1758 . 165 VAL H H 8.20 0.03 1 1759 . 165 VAL CA C 62.3 0.12 1 1760 . 165 VAL HA H 4.21 0.03 1 1761 . 165 VAL CB C 32.9 0.12 1 1762 . 165 VAL HB H 2.08 0.03 1 1763 . 165 VAL HG1 H 0.93 0.03 1 1764 . 165 VAL HG2 H 0.93 0.03 1 1765 . 165 VAL CG1 C 20.8 0.12 1 1766 . 165 VAL CG2 C 20.8 0.12 1 1767 . 165 VAL C C 176.3 0.12 1 1768 . 166 THR N N 118.9 0.15 1 1769 . 166 THR H H 8.26 0.03 1 1770 . 166 THR CA C 61.8 0.12 1 1771 . 166 THR HA H 4.38 0.03 1 1772 . 166 THR CB C 69.8 0.12 1 1773 . 166 THR HB H 4.18 0.03 1 1774 . 166 THR HG2 H 1.18 0.03 1 1775 . 166 THR CG2 C 21.7 0.12 1 1776 . 166 THR C C 174.5 0.12 1 1777 . 167 VAL N N 123.4 0.15 1 1778 . 167 VAL H H 8.26 0.03 1 1779 . 167 VAL CA C 62.3 0.12 1 1780 . 167 VAL HA H 4.18 0.03 1 1781 . 167 VAL CB C 32.7 0.12 1 1782 . 167 VAL HB H 2.08 0.03 1 1783 . 167 VAL HG1 H 0.90 0.03 1 1784 . 167 VAL HG2 H 0.90 0.03 1 1785 . 167 VAL CG1 C 20.7 0.12 1 1786 . 167 VAL CG2 C 20.7 0.12 1 1787 . 167 VAL C C 176.3 0.12 1 1788 . 168 THR N N 119.5 0.15 1 1789 . 168 THR H H 8.32 0.03 1 1790 . 168 THR CA C 61.9 0.12 1 1791 . 168 THR HA H 4.34 0.03 1 1792 . 168 THR CB C 69.8 0.12 1 1793 . 168 THR HB H 4.19 0.03 1 1794 . 168 THR HG2 H 1.20 0.03 1 1795 . 168 THR CG2 C 21.7 0.12 1 1796 . 168 THR C C 174.5 0.12 1 1797 . 169 LYS N N 124.3 0.15 1 1798 . 169 LYS H H 8.37 0.03 1 1799 . 169 LYS CA C 56.4 0.12 1 1800 . 169 LYS HA H 4.33 0.03 1 1801 . 169 LYS CB C 32.8 0.12 1 1802 . 169 LYS HB2 H 1.83 0.03 1 1803 . 169 LYS HB3 H 1.83 0.03 1 1804 . 169 LYS CG C 25.1 0.12 1 1805 . 169 LYS HG2 H 1.42 0.03 1 1806 . 169 LYS HG3 H 1.42 0.03 1 1807 . 169 LYS CD C 29.1 0.12 1 1808 . 169 LYS HD2 H 1.67 0.03 1 1809 . 169 LYS HD3 H 1.67 0.03 1 1810 . 169 LYS CE C 42.3 0.12 1 1811 . 169 LYS HE2 H 2.98 0.03 1 1812 . 169 LYS HE3 H 2.98 0.03 1 1813 . 169 LYS C C 176.6 0.12 1 1814 . 170 LEU N N 123.2 0.15 1 1815 . 170 LEU H H 8.25 0.03 1 1816 . 170 LEU CA C 55.5 0.12 1 1817 . 170 LEU HA H 4.34 0.03 1 1818 . 170 LEU CB C 42.5 0.12 1 1819 . 170 LEU HB2 H 1.61 0.03 1 1820 . 170 LEU HB3 H 1.61 0.03 1 1821 . 170 LEU CG C 27.3 0.12 1 1822 . 170 LEU HG H 1.65 0.03 1 1823 . 170 LEU HD1 H 0.89 0.03 2 1824 . 170 LEU HD2 H 0.94 0.03 2 1825 . 170 LEU CD1 C 23.5 0.12 1 1826 . 170 LEU CD2 C 25.1 0.12 1 1827 . 170 LEU C C 178.1 0.12 1 1828 . 171 GLY N N 109.8 0.15 1 1829 . 171 GLY H H 8.39 0.03 1 1830 . 171 GLY CA C 45.4 0.12 1 1831 . 171 GLY HA2 H 3.90 0.03 1 1832 . 171 GLY HA3 H 3.90 0.03 1 1833 . 171 GLY C C 174.3 0.12 1 1834 . 172 GLN N N 119.8 0.15 1 1835 . 172 GLN H H 8.10 0.03 1 1836 . 172 GLN CA C 55.9 0.12 1 1837 . 172 GLN HA H 4.26 0.03 1 1838 . 172 GLN CB C 29.6 0.12 1 1839 . 172 GLN HB2 H 1.90 0.03 2 1840 . 172 GLN HB3 H 1.96 0.03 2 1841 . 172 GLN CG C 33.8 0.12 1 1842 . 172 GLN HG2 H 2.18 0.03 1 1843 . 172 GLN HG3 H 2.18 0.03 1 1844 . 172 GLN CD C 180.5 0.12 1 1845 . 172 GLN NE2 N 112.7 0.15 1 1846 . 172 GLN HE21 H 6.86 0.03 2 1847 . 172 GLN HE22 H 7.46 0.03 2 1848 . 172 GLN C C 175.7 0.12 1 1849 . 173 PHE N N 121.1 0.15 1 1850 . 173 PHE H H 8.23 0.03 1 1851 . 173 PHE CA C 57.7 0.12 1 1852 . 173 PHE HA H 4.66 0.03 1 1853 . 173 PHE CB C 39.7 0.12 1 1854 . 173 PHE HB2 H 3.01 0.03 2 1855 . 173 PHE HB3 H 3.15 0.03 2 1856 . 173 PHE HD1 H 7.25 0.03 1 1857 . 173 PHE HD2 H 7.25 0.03 1 1858 . 173 PHE HE1 H 7.29 0.03 1 1859 . 173 PHE HE2 H 7.29 0.03 1 1860 . 173 PHE CD1 C 131.5 0.12 1 1861 . 173 PHE CE1 C 129.7 0.12 1 1862 . 173 PHE CZ C 131.5 0.12 1 1863 . 173 PHE HZ H 7.33 0.03 1 1864 . 173 PHE CE2 C 129.7 0.12 1 1865 . 173 PHE CD2 C 131.5 0.12 1 1866 . 173 PHE C C 175.5 0.12 1 1867 . 174 ARG N N 123.2 0.15 1 1868 . 174 ARG H H 8.14 0.03 1 1869 . 174 ARG CA C 55.8 0.12 1 1870 . 174 ARG HA H 4.37 0.03 1 1871 . 174 ARG CB C 31.3 0.12 1 1872 . 174 ARG HB2 H 1.71 0.03 2 1873 . 174 ARG HB3 H 1.79 0.03 2 1874 . 174 ARG CG C 27.1 0.12 1 1875 . 174 ARG HG2 H 1.56 0.03 1 1876 . 174 ARG HG3 H 1.56 0.03 1 1877 . 174 ARG CD C 43.6 0.12 1 1878 . 174 ARG HD2 H 3.18 0.03 1 1879 . 174 ARG HD3 H 3.18 0.03 1 1880 . 174 ARG C C 176.6 0.12 1 1881 . 175 VAL N N 122.1 0.15 1 1882 . 175 VAL H H 8.20 0.03 1 1883 . 175 VAL CA C 62.5 0.12 1 1884 . 175 VAL HA H 4.07 0.03 1 1885 . 175 VAL CB C 32.7 0.12 1 1886 . 175 VAL HB H 2.05 0.03 1 1887 . 175 VAL HG1 H 0.93 0.03 2 1888 . 175 VAL HG2 H 0.95 0.03 2 1889 . 175 VAL CG1 C 20.9 0.12 1 1890 . 175 VAL CG2 C 21.7 0.12 1 1891 . 175 VAL C C 176.2 0.12 1 1892 . 176 LYS N N 125.5 0.15 1 1893 . 176 LYS H H 8.38 0.03 1 1894 . 176 LYS CA C 56.3 0.12 1 1895 . 176 LYS HA H 4.29 0.03 1 1896 . 176 LYS CB C 32.9 0.12 1 1897 . 176 LYS HB2 H 1.76 0.03 1 1898 . 176 LYS HB3 H 1.76 0.03 1 1899 . 176 LYS CG C 24.7 0.12 1 1900 . 176 LYS HG2 H 1.41 0.03 1 1901 . 176 LYS HG3 H 1.41 0.03 1 1902 . 176 LYS CD C 29.1 0.12 1 1903 . 176 LYS HD2 H 1.70 0.03 1 1904 . 176 LYS HD3 H 1.70 0.03 1 1905 . 176 LYS CE C 42.2 0.12 1 1906 . 176 LYS HE2 H 3.00 0.03 1 1907 . 176 LYS HE3 H 3.00 0.03 1 1908 . 176 LYS C C 176.6 0.12 1 1909 . 177 GLU N N 123.1 0.15 1 1910 . 177 GLU H H 8.55 0.03 1 1911 . 177 GLU CA C 56.6 0.12 1 1912 . 177 GLU HA H 4.26 0.03 1 1913 . 177 GLU CB C 30.1 0.12 1 1914 . 177 GLU HB2 H 1.96 0.03 1 1915 . 177 GLU HB3 H 1.96 0.03 1 1916 . 177 GLU CG C 36.5 0.12 1 1917 . 177 GLU HG2 H 2.27 0.03 1 1918 . 177 GLU HG3 H 2.27 0.03 1 1919 . 177 GLU C C 176.7 0.12 1 1920 . 178 GLU N N 121.5 0.15 1 1921 . 178 GLU H H 8.43 0.03 1 1922 . 178 GLU CA C 56.5 0.12 1 1923 . 178 GLU HA H 4.29 0.03 1 1924 . 178 GLU CB C 30.1 0.12 1 1925 . 178 GLU HB2 H 1.96 0.03 1 1926 . 178 GLU HB3 H 1.96 0.03 1 1927 . 178 GLU CG C 36.3 0.12 1 1928 . 178 GLU HG2 H 2.27 0.03 1 1929 . 178 GLU HG3 H 2.27 0.03 1 1930 . 178 GLU C C 176.7 0.12 1 1931 . 179 GLU N N 122.0 0.15 1 1932 . 179 GLU H H 8.38 0.03 1 1933 . 179 GLU CA C 56.4 0.12 1 1934 . 179 GLU HA H 4.28 0.03 1 1935 . 179 GLU CB C 30.2 0.12 1 1936 . 179 GLU HB2 H 1.98 0.03 1 1937 . 179 GLU HB3 H 1.98 0.03 1 1938 . 179 GLU CG C 36.3 0.12 1 1939 . 179 GLU HG2 H 2.27 0.03 1 1940 . 179 GLU HG3 H 2.27 0.03 1 1941 . 179 GLU C C 176.7 0.12 1 1942 . 180 GLU N N 122.4 0.15 1 1943 . 180 GLU H H 8.45 0.03 1 1944 . 180 GLU CA C 56.5 0.12 1 1945 . 180 GLU HA H 4.29 0.03 1 1946 . 180 GLU CB C 30.1 0.12 1 1947 . 180 GLU HB2 H 1.99 0.03 1 1948 . 180 GLU HB3 H 1.99 0.03 1 1949 . 180 GLU CG C 36.6 0.12 1 1950 . 180 GLU HG2 H 2.27 0.03 1 1951 . 180 GLU HG3 H 2.27 0.03 1 1952 . 180 GLU C C 176.6 0.12 1 1953 . 181 SER N N 117.2 0.15 1 1954 . 181 SER H H 8.34 0.03 1 1955 . 181 SER CA C 58.2 0.12 1 1956 . 181 SER HA H 4.45 0.03 1 1957 . 181 SER CB C 63.8 0.12 1 1958 . 181 SER HB2 H 3.86 0.03 1 1959 . 181 SER HB3 H 3.86 0.03 1 1960 . 181 SER C C 174.2 0.12 1 1961 . 182 ALA N N 126.8 0.15 1 1962 . 182 ALA H H 8.35 0.03 1 1963 . 182 ALA CA C 52.5 0.12 1 1964 . 182 ALA HA H 4.38 0.03 1 1965 . 182 ALA HB H 1.40 0.03 1 1966 . 182 ALA CB C 19.4 0.12 1 1967 . 182 ALA C C 176.7 0.12 1 1968 . 183 ASN N N 123.4 0.15 1 1969 . 183 ASN H H 7.97 0.03 1 1970 . 183 ASN CA C 54.7 0.12 1 1971 . 183 ASN HA H 4.47 0.03 1 1972 . 183 ASN CB C 40.4 0.12 1 1973 . 183 ASN HB2 H 2.68 0.03 1 1974 . 183 ASN HB3 H 2.68 0.03 1 1975 . 183 ASN CG C 178.4 0.12 1 1976 . 183 ASN ND2 N 113.2 0.15 1 1977 . 183 ASN HD21 H 6.83 0.03 2 1978 . 183 ASN HD22 H 7.50 0.03 2 stop_ save_