data_5742 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of soluble domain of Sco1 from Bacillus Subtilis ; _BMRB_accession_number 5742 _BMRB_flat_file_name bmr5742.str _Entry_type original _Submission_date 2003-03-15 _Accession_date 2003-03-17 _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 Balatri E. . . 2 Banci L. . . 3 Bertini I. . . 4 Cantini F. . . 5 Ciofi-Baffoni S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 925 "13C chemical shifts" 398 "15N chemical shifts" 176 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-12-17 original author . stop_ _Original_release_date 2003-12-17 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of Sco1: a thioredoxin-like protein involved in cytochrome c oxidase assembly ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14604533 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Balatri Erica . . 2 Banci Lucia . . 3 Bertini Ivano . . 4 Cantini Francesca . . 5 Ciofi-Baffoni Simone . . stop_ _Journal_abbreviation 'Structure (Cambridge, MA, U. S.)' _Journal_volume 11 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1431 _Page_last 1443 _Year 2003 _Details . loop_ _Keyword 'COX assembly protein' 'copper protein' 'NMR structure' 'Sco1 from B. subtilis' 'thioredoxin-like fold' YPMQ stop_ save_ ################################## # Molecular system description # ################################## save_system_Sco1 _Saveframe_category molecular_system _Mol_system_name 'COX assembly protein' _Abbreviation_common Sco1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label Sco1 $Sco1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'protein required for Cytochrome c oxidase assembly' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Sco1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Sco1 _Abbreviation_common Sco1 _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 174 _Mol_residue_sequence ; HMLEIKDPLNYEVEPFTFQN QDGKNVSLESLKGEVWLADF IFTNCETICPPMTAHMTDLQ KKLKAENIDVRIISFSVDPE NDKPKQLKKFAANYPLSFDN WDFLTGYSQSEIEEFALKSF KAIVKKPEGEDQVIHQSSFY LVGPDGKVLKDYNGVENTPY DDIISDVKSASTLK ; loop_ _Residue_seq_code _Residue_label 1 HIS 2 MET 3 LEU 4 GLU 5 ILE 6 LYS 7 ASP 8 PRO 9 LEU 10 ASN 11 TYR 12 GLU 13 VAL 14 GLU 15 PRO 16 PHE 17 THR 18 PHE 19 GLN 20 ASN 21 GLN 22 ASP 23 GLY 24 LYS 25 ASN 26 VAL 27 SER 28 LEU 29 GLU 30 SER 31 LEU 32 LYS 33 GLY 34 GLU 35 VAL 36 TRP 37 LEU 38 ALA 39 ASP 40 PHE 41 ILE 42 PHE 43 THR 44 ASN 45 CYS 46 GLU 47 THR 48 ILE 49 CYS 50 PRO 51 PRO 52 MET 53 THR 54 ALA 55 HIS 56 MET 57 THR 58 ASP 59 LEU 60 GLN 61 LYS 62 LYS 63 LEU 64 LYS 65 ALA 66 GLU 67 ASN 68 ILE 69 ASP 70 VAL 71 ARG 72 ILE 73 ILE 74 SER 75 PHE 76 SER 77 VAL 78 ASP 79 PRO 80 GLU 81 ASN 82 ASP 83 LYS 84 PRO 85 LYS 86 GLN 87 LEU 88 LYS 89 LYS 90 PHE 91 ALA 92 ALA 93 ASN 94 TYR 95 PRO 96 LEU 97 SER 98 PHE 99 ASP 100 ASN 101 TRP 102 ASP 103 PHE 104 LEU 105 THR 106 GLY 107 TYR 108 SER 109 GLN 110 SER 111 GLU 112 ILE 113 GLU 114 GLU 115 PHE 116 ALA 117 LEU 118 LYS 119 SER 120 PHE 121 LYS 122 ALA 123 ILE 124 VAL 125 LYS 126 LYS 127 PRO 128 GLU 129 GLY 130 GLU 131 ASP 132 GLN 133 VAL 134 ILE 135 HIS 136 GLN 137 SER 138 SER 139 PHE 140 TYR 141 LEU 142 VAL 143 GLY 144 PRO 145 ASP 146 GLY 147 LYS 148 VAL 149 LEU 150 LYS 151 ASP 152 TYR 153 ASN 154 GLY 155 VAL 156 GLU 157 ASN 158 THR 159 PRO 160 TYR 161 ASP 162 ASP 163 ILE 164 ILE 165 SER 166 ASP 167 VAL 168 LYS 169 SER 170 ALA 171 SER 172 THR 173 LEU 174 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 PDB 1ON4 "Solution Structure Of Soluble Domain Of Sco1 From Bacillus Subtilis" 100.00 174 100.00 100.00 1.66e-123 PDB 1XZO "Identification Of A Disulfide Switch In Bssco, A Member Of The Sco Family Of Cytochrome C Oxidase Assembly Proteins" 98.28 174 99.42 100.00 2.38e-120 DBJ BAM52657 "assembly factor BSco of the Cu(A) site ofcytochrome c oxidase [Bacillus subtilis BEST7613]" 98.28 193 99.42 100.00 5.84e-120 DBJ BAM58232 "assembly factor BSco of the Cu(A) site ofcytochrome c oxidase [Bacillus subtilis BEST7003]" 98.28 193 99.42 100.00 5.84e-120 EMBL CAB14093 "assembly factor BSco of the Cu(A) site of cytochrome c oxidase [Bacillus subtilis subsp. subtilis str. 168]" 98.28 193 99.42 100.00 5.84e-120 EMBL CCU58674 "Cytochrome oxidase biogenesis protein Sco1/SenC/PrrC, putative copper metallochaperone [Bacillus subtilis E1]" 98.28 193 99.42 100.00 5.84e-120 EMBL CEI57387 "hypothetical protein BS49_23990 [Bacillus subtilis]" 98.28 193 99.42 100.00 5.84e-120 EMBL CEJ77812 "hypothetical protein BS34A_23990 [Bacillus sp.]" 98.28 193 99.42 100.00 5.84e-120 GB AAA96641 "29% identity with a Pseudomonas stutzeri hypothetical protein; putative [Bacillus subtilis subsp. subtilis str. 168]" 98.28 193 98.83 99.42 5.14e-119 GB ADV92901 "assembly factor BSco of the Cu(A) site of cytochrome c oxidase [Bacillus subtilis BSn5]" 98.28 193 99.42 100.00 5.84e-120 GB AEP91191 "hypothetical protein I33_2233 [Bacillus subtilis subsp. subtilis str. RO-NN-1]" 98.28 193 98.83 100.00 2.50e-119 GB AFQ58121 "Assembly factor BSco of the Cu(A) site ofcytochrome [Bacillus subtilis QB928]" 98.28 199 99.42 100.00 2.78e-120 GB AGA23479 "Hypothetical protein YpmQ [Bacillus subtilis subsp. subtilis str. BSP1]" 98.28 193 98.25 100.00 2.01e-119 REF NP_390058 "SCO1 protein homolog [Bacillus subtilis subsp. subtilis str. 168]" 98.28 193 99.42 100.00 5.84e-120 REF WP_003230805 "photosynthetic protein synthase I [Bacillus subtilis]" 98.28 196 99.42 100.00 4.23e-120 REF WP_003245947 "MULTISPECIES: photosynthetic protein synthase I [Bacillales]" 98.28 193 99.42 100.00 5.84e-120 REF WP_014477121 "photosynthetic protein synthase I [Bacillus subtilis]" 98.28 193 98.83 100.00 2.50e-119 REF WP_014906386 "photosynthetic protein synthase I [Bacillus subtilis]" 98.28 199 99.42 100.00 2.78e-120 SP P54178 "RecName: Full=SCO1 protein homolog; AltName: Full=BsSco; Flags: Precursor [Bacillus subtilis subsp. subtilis str. 168]" 98.28 193 99.42 100.00 5.84e-120 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Plasmid _Gene_mnemonic $Sco1 'Bacillus subtilis' 1423 Eubacteria . Bacillus subtilis 'BL21 (DE3)PLYSS' PET16B YPMQ 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 $Sco1 'recombinant technology' 'Escherichia coli' Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Sco1 1.5 mM '[U-15N; U-13C]' 'potassium phosphate' 100 mM . DTT 2 mM . D2O 10 % . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Sco1 1.5 mM . 'potassium phosphate' 100 mM . DTT 2 mM . D2O 90 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version . loop_ _Task collection processing stop_ _Details . save_ save_XEASY _Saveframe_category software _Name XEASY _Version 'version 1.3' loop_ _Task 'data analysis' stop_ _Details . save_ save_GARANT _Saveframe_category software _Name GARANT _Version 2.0 loop_ _Task 'data analysis' stop_ _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version 1.5 loop_ _Task 'structure solution' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0 loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 5 loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 600 _Details . save_ save_NMR_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 700 _Details . save_ save_NMR_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_CBCANH_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _Sample_label . save_ save_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_(H)CCH-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CCH-TOCSY _Sample_label . save_ save_2D_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _Sample_label . save_ save_3D_15N-separated_NOESY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label . save_ save_3D_13C-separated_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label . save_ save_HNHA_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name CBCANH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCA(CO)NH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name (H)CCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name HNHA _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7 0.2 na temperature 298 1 K 'ionic strength' 100 0.02 mM pressure 1 . atm 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 . . . 1.000000000 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_chemical_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label CBCANH CBCA(CO)NH HNCO HN(CA)CO (H)CCH-TOCSY '2D NOESY' '3D 15N-separated NOESY' '3D 13C-separated NOESY' HNHA stop_ _Sample_conditions_label $sample_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name Sco1 _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 MET HA H 4.372 0.02 . 2 . 2 MET HB2 H 1.958 0.02 . 3 . 3 LEU N N 123.684 0.3 . 4 . 3 LEU H H 8.494 0.02 . 5 . 3 LEU CA C 52.219 0.06 . 6 . 3 LEU HA H 4.317 0.02 . 7 . 3 LEU CB C 39.406 0.06 . 8 . 3 LEU HB2 H 1.580 0.02 . 9 . 3 LEU HG H 1.544 0.02 . 10 . 3 LEU HD1 H 0.795 0.02 . 11 . 3 LEU CD1 C 20.343 0.06 . 12 . 4 GLU N N 121.040 0.3 . 13 . 4 GLU H H 8.194 0.02 . 14 . 4 GLU HA H 4.252 0.02 . 15 . 4 GLU HB2 H 1.936 0.02 . 16 . 4 GLU HB3 H 1.769 0.02 . 17 . 4 GLU HG2 H 2.065 0.02 . 18 . 5 ILE N N 122.197 0.3 . 19 . 5 ILE H H 7.877 0.02 . 20 . 5 ILE CA C 58.157 0.06 . 21 . 5 ILE HA H 3.914 0.02 . 22 . 5 ILE HB H 1.622 0.02 . 23 . 5 ILE HG2 H 0.627 0.02 . 24 . 5 ILE CG2 C 14.717 0.06 . 25 . 5 ILE HG12 H 1.517 0.02 . 26 . 5 ILE HG13 H 1.068 0.02 . 27 . 5 ILE HD1 H 0.790 0.02 . 28 . 5 ILE CD1 C 10.655 0.06 . 29 . 6 LYS N N 128.807 0.3 . 30 . 6 LYS H H 8.505 0.02 . 31 . 6 LYS HA H 4.104 0.02 . 32 . 6 LYS HB2 H 1.618 0.02 . 33 . 6 LYS HG2 H 1.336 0.02 . 34 . 6 LYS HD2 H 1.561 0.02 . 35 . 6 LYS HE2 H 2.853 0.02 . 36 . 7 ASP N N 119.553 0.3 . 37 . 7 ASP H H 8.809 0.02 . 38 . 7 ASP CA C 51.907 0.06 . 39 . 7 ASP HA H 4.286 0.02 . 40 . 7 ASP CB C 37.531 0.06 . 41 . 7 ASP HB2 H 2.569 0.02 . 42 . 7 ASP HB3 H 2.460 0.02 . 43 . 8 PRO HA H 4.527 0.02 . 44 . 8 PRO HG2 H 1.868 0.02 . 45 . 8 PRO HG3 H 1.777 0.02 . 46 . 8 PRO HD2 H 3.473 0.02 . 47 . 8 PRO HD3 H 3.529 0.02 . 48 . 9 LEU N N 120.875 0.3 . 49 . 9 LEU H H 8.101 0.02 . 50 . 9 LEU CA C 54.407 0.06 . 51 . 9 LEU HA H 3.539 0.02 . 52 . 9 LEU CB C 37.218 0.06 . 53 . 9 LEU HB2 H 0.743 0.02 . 54 . 9 LEU HB3 H -0.188 0.02 . 55 . 9 LEU CG C 23.468 0.06 . 56 . 9 LEU HG H 1.374 0.02 . 57 . 9 LEU HD1 H 0.586 0.02 . 58 . 9 LEU HD2 H 0.657 0.02 . 59 . 9 LEU CD1 C 21.905 0.06 . 60 . 9 LEU CD2 C 18.780 0.06 . 61 . 10 ASN N N 110.134 0.3 . 62 . 10 ASN H H 7.840 0.02 . 63 . 10 ASN CA C 51.282 0.06 . 64 . 10 ASN HA H 4.108 0.02 . 65 . 10 ASN CB C 33.468 0.06 . 66 . 10 ASN HB2 H 2.887 0.02 . 67 . 10 ASN HB3 H 2.671 0.02 . 68 . 10 ASN ND2 N 107.820 0.3 . 69 . 10 ASN HD21 H 7.196 0.02 . 70 . 10 ASN HD22 H 6.384 0.02 . 71 . 11 TYR N N 115.422 0.3 . 72 . 11 TYR H H 6.481 0.02 . 73 . 11 TYR HA H 4.774 0.02 . 74 . 11 TYR CB C 34.093 0.06 . 75 . 11 TYR HB2 H 3.062 0.02 . 76 . 11 TYR HB3 H 2.527 0.02 . 77 . 11 TYR HE1 H 6.600 0.02 . 78 . 11 TYR HD1 H 6.625 0.02 . 79 . 12 GLU N N 123.187 0.3 . 80 . 12 GLU H H 8.745 0.02 . 81 . 12 GLU CA C 53.782 0.06 . 82 . 12 GLU HA H 4.255 0.02 . 83 . 12 GLU CB C 27.531 0.06 . 84 . 12 GLU HB2 H 1.791 0.02 . 85 . 12 GLU CG C 33.781 0.06 . 86 . 12 GLU HG2 H 2.107 0.02 . 87 . 12 GLU HG3 H 1.996 0.02 . 88 . 13 VAL N N 125.832 0.3 . 89 . 13 VAL H H 7.701 0.02 . 90 . 13 VAL CA C 60.970 0.06 . 91 . 13 VAL HA H 3.232 0.02 . 92 . 13 VAL CB C 29.406 0.06 . 93 . 13 VAL HB H 2.037 0.02 . 94 . 13 VAL HG1 H 1.527 0.02 . 95 . 13 VAL HG2 H 0.506 0.02 . 96 . 13 VAL CG1 C 20.030 0.06 . 97 . 13 VAL CG2 C 20.968 0.06 . 98 . 14 GLU N N 128.476 0.3 . 99 . 14 GLU H H 7.986 0.02 . 100 . 14 GLU CA C 52.532 0.06 . 101 . 14 GLU HA H 4.289 0.02 . 102 . 14 GLU CB C 27.531 0.06 . 103 . 14 GLU HB2 H 2.114 0.02 . 104 . 14 GLU HB3 H 1.804 0.02 . 105 . 14 GLU CG C 30.968 0.06 . 106 . 14 GLU HG2 H 2.377 0.02 . 107 . 14 GLU HG3 H 2.261 0.02 . 108 . 15 PRO CD C 47.219 0.06 . 109 . 15 PRO CA C 61.595 0.06 . 110 . 15 PRO HA H 4.096 0.02 . 111 . 15 PRO CB C 29.093 0.06 . 112 . 15 PRO HB2 H 2.145 0.02 . 113 . 15 PRO HB3 H 1.766 0.02 . 114 . 15 PRO CG C 25.655 0.06 . 115 . 15 PRO HG2 H 2.014 0.02 . 116 . 15 PRO HG3 H 1.875 0.02 . 117 . 15 PRO HD2 H 3.749 0.02 . 118 . 15 PRO HD3 H 3.544 0.02 . 119 . 16 PHE N N 116.083 0.3 . 120 . 16 PHE H H 6.661 0.02 . 121 . 16 PHE CA C 53.157 0.06 . 122 . 16 PHE HA H 4.400 0.02 . 123 . 16 PHE CB C 38.156 0.06 . 124 . 16 PHE HB2 H 2.300 0.02 . 125 . 16 PHE HB3 H 0.844 0.02 . 126 . 16 PHE HZ H 6.787 0.02 . 127 . 16 PHE HD1 H 5.977 0.02 . 128 . 16 PHE HE1 H 6.952 0.02 . 129 . 17 THR N N 116.248 0.3 . 130 . 17 THR H H 8.031 0.02 . 131 . 17 THR CA C 60.032 0.06 . 132 . 17 THR HA H 4.195 0.02 . 133 . 17 THR CB C 67.845 0.06 . 134 . 17 THR HB H 3.897 0.02 . 135 . 17 THR HG2 H 0.911 0.02 . 136 . 17 THR CG2 C 18.155 0.06 . 137 . 18 PHE N N 125.830 0.3 . 138 . 18 PHE H H 8.771 0.02 . 139 . 18 PHE CA C 49.407 0.06 . 140 . 18 PHE HA H 5.887 0.02 . 141 . 18 PHE CB C 40.656 0.06 . 142 . 18 PHE HB2 H 3.705 0.02 . 143 . 18 PHE HB3 H 3.068 0.02 . 144 . 18 PHE HD1 H 7.179 0.02 . 145 . 19 GLN N N 118.892 0.3 . 146 . 19 GLN H H 8.254 0.02 . 147 . 19 GLN CA C 52.844 0.06 . 148 . 19 GLN HA H 5.010 0.02 . 149 . 19 GLN CB C 29.718 0.06 . 150 . 19 GLN HB2 H 1.836 0.02 . 151 . 19 GLN HB3 H 1.901 0.02 . 152 . 19 GLN CG C 32.531 0.06 . 153 . 19 GLN HG2 H 2.222 0.02 . 154 . 19 GLN HG3 H 2.299 0.02 . 155 . 19 GLN NE2 N 109.968 0.3 . 156 . 19 GLN HE21 H 7.321 0.02 . 157 . 19 GLN HE22 H 6.726 0.02 . 158 . 20 ASN N N 117.570 0.3 . 159 . 20 ASN H H 8.678 0.02 . 160 . 20 ASN CA C 47.219 0.06 . 161 . 20 ASN HA H 5.913 0.02 . 162 . 20 ASN CB C 37.844 0.06 . 163 . 20 ASN HB2 H 2.501 0.02 . 164 . 20 ASN HB3 H 3.346 0.02 . 165 . 20 ASN ND2 N 112.943 0.3 . 166 . 20 ASN HD21 H 7.153 0.02 . 167 . 20 ASN HD22 H 8.509 0.02 . 168 . 21 GLN N N 114.430 0.3 . 169 . 21 GLN H H 7.870 0.02 . 170 . 21 GLN HA H 3.806 0.02 . 171 . 21 GLN CB C 23.468 0.06 . 172 . 21 GLN HB2 H 2.145 0.02 . 173 . 21 GLN HB3 H 1.778 0.02 . 174 . 21 GLN CG C 26.280 0.06 . 175 . 21 GLN HG2 H 1.692 0.02 . 176 . 21 GLN HG3 H 1.410 0.02 . 177 . 21 GLN NE2 N 114.761 0.3 . 178 . 21 GLN HE21 H 7.652 0.02 . 179 . 21 GLN HE22 H 6.877 0.02 . 180 . 22 ASP N N 118.232 0.3 . 181 . 22 ASP H H 7.557 0.02 . 182 . 22 ASP CA C 51.594 0.06 . 183 . 22 ASP HA H 4.834 0.02 . 184 . 22 ASP CB C 40.031 0.06 . 185 . 22 ASP HB2 H 2.249 0.02 . 186 . 22 ASP HB3 H 2.857 0.02 . 187 . 23 GLY N N 107.324 0.3 . 188 . 23 GLY H H 8.236 0.02 . 189 . 23 GLY CA C 42.844 0.06 . 190 . 23 GLY HA2 H 3.646 0.02 . 191 . 23 GLY HA3 H 4.059 0.02 . 192 . 24 LYS N N 120.544 0.3 . 193 . 24 LYS H H 7.838 0.02 . 194 . 24 LYS HA H 4.292 0.02 . 195 . 24 LYS CB C 30.968 0.06 . 196 . 24 LYS HB2 H 1.673 0.02 . 197 . 24 LYS HB3 H 1.498 0.02 . 198 . 24 LYS CG C 22.530 0.06 . 199 . 24 LYS HG2 H 1.340 0.02 . 200 . 24 LYS HG3 H 1.234 0.02 . 201 . 24 LYS HD2 H 1.549 0.02 . 202 . 24 LYS CE C 39.406 0.06 . 203 . 24 LYS HE3 H 2.873 0.02 . 204 . 25 ASN N N 120.214 0.3 . 205 . 25 ASN H H 8.566 0.02 . 206 . 25 ASN CA C 50.657 0.06 . 207 . 25 ASN HA H 5.003 0.02 . 208 . 25 ASN CB C 36.906 0.06 . 209 . 25 ASN HB2 H 2.234 0.02 . 210 . 25 ASN HB3 H 2.626 0.02 . 211 . 25 ASN ND2 N 110.464 0.3 . 212 . 25 ASN HD21 H 7.398 0.02 . 213 . 25 ASN HD22 H 6.827 0.02 . 214 . 26 VAL N N 125.171 0.3 . 215 . 26 VAL H H 9.246 0.02 . 216 . 26 VAL CA C 60.032 0.06 . 217 . 26 VAL HA H 3.844 0.02 . 218 . 26 VAL CB C 31.593 0.06 . 219 . 26 VAL HB H 1.829 0.02 . 220 . 26 VAL HG1 H 0.707 0.02 . 221 . 26 VAL HG2 H 0.644 0.02 . 222 . 26 VAL CG1 C 18.780 0.06 . 223 . 26 VAL CG2 C 17.530 0.06 . 224 . 27 SER N N 118.066 0.3 . 225 . 27 SER H H 7.395 0.02 . 226 . 27 SER CA C 51.594 0.06 . 227 . 27 SER HA H 5.099 0.02 . 228 . 27 SER CB C 65.970 0.06 . 229 . 27 SER HB2 H 3.999 0.02 . 230 . 27 SER HB3 H 3.596 0.02 . 231 . 28 LEU N N 121.866 0.3 . 232 . 28 LEU H H 6.815 0.02 . 233 . 28 LEU CA C 55.032 0.06 . 234 . 28 LEU HA H 3.441 0.02 . 235 . 28 LEU CB C 38.156 0.06 . 236 . 28 LEU HB2 H 1.282 0.02 . 237 . 28 LEU HB3 H 1.721 0.02 . 238 . 28 LEU CG C 25.030 0.06 . 239 . 28 LEU HG H 1.411 0.02 . 240 . 28 LEU HD1 H 0.837 0.02 . 241 . 28 LEU HD2 H 1.135 0.02 . 242 . 28 LEU CD1 C 23.468 0.06 . 243 . 28 LEU CD2 C 20.655 0.06 . 244 . 29 GLU N N 116.413 0.3 . 245 . 29 GLU H H 7.954 0.02 . 246 . 29 GLU CA C 56.594 0.06 . 247 . 29 GLU HA H 3.764 0.02 . 248 . 29 GLU CB C 26.593 0.06 . 249 . 29 GLU HB2 H 1.851 0.02 . 250 . 29 GLU HB3 H 1.778 0.02 . 251 . 29 GLU CG C 33.781 0.06 . 252 . 29 GLU HG3 H 2.131 0.02 . 253 . 29 GLU HG2 H 2.129 0.02 . 254 . 30 SER N N 114.595 0.3 . 255 . 30 SER H H 7.916 0.02 . 256 . 30 SER CA C 57.844 0.06 . 257 . 30 SER HA H 4.139 0.02 . 258 . 30 SER CB C 60.657 0.06 . 259 . 30 SER HB2 H 3.790 0.02 . 260 . 30 SER HB3 H 3.873 0.02 . 261 . 31 LEU N N 121.701 0.3 . 262 . 31 LEU H H 7.204 0.02 . 263 . 31 LEU CA C 51.594 0.06 . 264 . 31 LEU HA H 3.977 0.02 . 265 . 31 LEU CB C 39.406 0.06 . 266 . 31 LEU HB2 H 1.264 0.02 . 267 . 31 LEU HB3 H 0.894 0.02 . 268 . 31 LEU CG C 23.780 0.06 . 269 . 31 LEU HG H 1.042 0.02 . 270 . 31 LEU HD1 H -0.583 0.02 . 271 . 31 LEU HD2 H 0.032 0.02 . 272 . 31 LEU CD1 C 21.905 0.06 . 273 . 31 LEU CD2 C 19.093 0.06 . 274 . 32 LYS N N 123.849 0.3 . 275 . 32 LYS H H 7.333 0.02 . 276 . 32 LYS CA C 55.344 0.06 . 277 . 32 LYS HA H 4.194 0.02 . 278 . 32 LYS CB C 29.406 0.06 . 279 . 32 LYS HB2 H 1.771 0.02 . 280 . 32 LYS HB3 H 1.852 0.02 . 281 . 32 LYS CG C 22.218 0.06 . 282 . 32 LYS HG2 H 1.373 0.02 . 283 . 32 LYS CD C 26.593 0.06 . 284 . 32 LYS HD2 H 1.561 0.02 . 285 . 32 LYS HD3 H 1.612 0.02 . 286 . 32 LYS HE2 H 2.770 0.02 . 287 . 33 GLY N N 112.282 0.3 . 288 . 33 GLY H H 9.448 0.02 . 289 . 33 GLY CA C 42.531 0.06 . 290 . 33 GLY HA2 H 3.720 0.02 . 291 . 33 GLY HA3 H 4.387 0.02 . 292 . 34 GLU N N 118.727 0.3 . 293 . 34 GLU H H 8.147 0.02 . 294 . 34 GLU HA H 4.654 0.02 . 295 . 34 GLU CB C 28.156 0.06 . 296 . 34 GLU HB2 H 1.980 0.02 . 297 . 34 GLU HB3 H 1.860 0.02 . 298 . 34 GLU CG C 32.218 0.06 . 299 . 34 GLU HG2 H 2.155 0.02 . 300 . 34 GLU HG3 H 2.058 0.02 . 301 . 35 VAL N N 119.697 0.3 . 302 . 35 VAL H H 8.486 0.02 . 303 . 35 VAL CA C 58.782 0.06 . 304 . 35 VAL HA H 4.454 0.02 . 305 . 35 VAL CB C 29.718 0.06 . 306 . 35 VAL HB H 1.962 0.02 . 307 . 35 VAL HG1 H 0.959 0.02 . 308 . 35 VAL HG2 H 0.985 0.02 . 309 . 35 VAL CG1 C 19.718 0.06 . 310 . 35 VAL CG2 C 21.905 0.06 . 311 . 36 TRP N N 121.040 0.3 . 312 . 36 TRP H H 8.990 0.02 . 313 . 36 TRP CA C 50.657 0.06 . 314 . 36 TRP HA H 6.018 0.02 . 315 . 36 TRP CB C 27.843 0.06 . 316 . 36 TRP HB2 H 2.974 0.02 . 317 . 36 TRP HB3 H 2.919 0.02 . 318 . 36 TRP NE1 N 133.434 0.3 . 319 . 36 TRP HD1 H 7.158 0.02 . 320 . 36 TRP HE3 H 7.305 0.02 . 321 . 36 TRP HE1 H 10.058 0.02 . 322 . 36 TRP HZ3 H 6.993 0.02 . 323 . 36 TRP HZ2 H 7.195 0.02 . 324 . 36 TRP HH2 H 7.329 0.02 . 325 . 37 LEU N N 119.222 0.3 . 326 . 37 LEU H H 8.553 0.02 . 327 . 37 LEU CA C 49.407 0.06 . 328 . 37 LEU HA H 5.590 0.02 . 329 . 37 LEU CB C 43.781 0.06 . 330 . 37 LEU HB2 H 0.910 0.02 . 331 . 37 LEU HB3 H 1.375 0.02 . 332 . 37 LEU CG C 25.343 0.06 . 333 . 37 LEU HG H 1.365 0.02 . 334 . 37 LEU HD1 H 0.616 0.02 . 335 . 37 LEU HD2 H 0.494 0.02 . 336 . 37 LEU CD1 C 21.593 0.06 . 337 . 37 LEU CD2 C 23.780 0.06 . 338 . 38 ALA N N 120.049 0.3 . 339 . 38 ALA H H 9.049 0.02 . 340 . 38 ALA CA C 46.906 0.06 . 341 . 38 ALA HA H 6.216 0.02 . 342 . 38 ALA HB H 1.378 0.02 . 343 . 38 ALA CB C 21.905 0.06 . 344 . 39 ASP N N 113.439 0.3 . 345 . 39 ASP H H 8.561 0.02 . 346 . 39 ASP HA H 4.753 0.02 . 347 . 39 ASP HB2 H 3.204 0.02 . 348 . 39 ASP HB3 H 2.452 0.02 . 349 . 40 PHE N N 119.553 0.3 . 350 . 40 PHE H H 9.246 0.02 . 351 . 40 PHE CA C 54.719 0.06 . 352 . 40 PHE HA H 5.454 0.02 . 353 . 40 PHE CB C 37.218 0.06 . 354 . 40 PHE HB2 H 2.859 0.02 . 355 . 40 PHE HB3 H 3.085 0.02 . 356 . 40 PHE HZ H 6.332 0.02 . 357 . 40 PHE HD1 H 7.220 0.02 . 358 . 40 PHE HE1 H 6.232 0.02 . 359 . 41 ILE N N 107.655 0.3 . 360 . 41 ILE H H 8.400 0.02 . 361 . 41 ILE CA C 55.344 0.06 . 362 . 41 ILE HA H 5.183 0.02 . 363 . 41 ILE CB C 43.781 0.06 . 364 . 41 ILE HB H 1.493 0.02 . 365 . 41 ILE HG2 H 0.967 0.02 . 366 . 41 ILE CG2 C 17.530 0.06 . 367 . 41 ILE CG1 C 23.780 0.06 . 368 . 41 ILE HG12 H 1.128 0.02 . 369 . 41 ILE HD1 H 0.552 0.02 . 370 . 41 ILE CD1 C 11.905 0.06 . 371 . 42 PHE N N 116.744 0.3 . 372 . 42 PHE H H 8.217 0.02 . 373 . 42 PHE CA C 54.719 0.06 . 374 . 42 PHE HA H 5.226 0.02 . 375 . 42 PHE CB C 38.469 0.06 . 376 . 42 PHE HB2 H 3.585 0.02 . 377 . 42 PHE HB3 H 2.932 0.02 . 378 . 42 PHE HZ H 7.558 0.02 . 379 . 42 PHE HD1 H 7.199 0.02 . 380 . 42 PHE HE1 H 7.501 0.02 . 381 . 43 THR N N 110.134 0.3 . 382 . 43 THR H H 8.932 0.02 . 383 . 43 THR CA C 62.220 0.06 . 384 . 43 THR HA H 3.194 0.02 . 385 . 43 THR CB C 65.970 0.06 . 386 . 43 THR HB H 3.936 0.02 . 387 . 43 THR HG2 H 0.576 0.02 . 388 . 43 THR CG2 C 18.468 0.06 . 389 . 44 ASN N N 118.066 0.3 . 390 . 44 ASN H H 8.189 0.02 . 391 . 44 ASN HB2 H 2.949 0.02 . 392 . 44 ASN HB3 H 2.893 0.02 . 393 . 44 ASN ND2 N 111.951 0.3 . 394 . 44 ASN HD21 H 8.214 0.02 . 395 . 44 ASN HD22 H 6.826 0.02 . 396 . 45 CYS N N 124.510 0.3 . 397 . 45 CYS H H 6.312 0.02 . 398 . 45 CYS CA C 58.782 0.06 . 399 . 45 CYS HA H 3.669 0.02 . 400 . 45 CYS CB C 27.218 0.06 . 401 . 45 CYS HB2 H 2.159 0.02 . 402 . 45 CYS HB3 H 1.209 0.02 . 403 . 46 GLU N N 126.493 0.3 . 404 . 46 GLU H H 8.577 0.02 . 405 . 46 GLU CA C 54.407 0.06 . 406 . 46 GLU HA H 4.531 0.02 . 407 . 46 GLU CB C 28.781 0.06 . 408 . 46 GLU HB2 H 1.877 0.02 . 409 . 46 GLU CG C 34.093 0.06 . 410 . 46 GLU HG2 H 2.337 0.02 . 411 . 46 GLU HG3 H 2.216 0.02 . 412 . 47 THR H H 9.630 0.02 . 413 . 47 THR CA C 59.407 0.06 . 414 . 47 THR HA H 4.532 0.02 . 415 . 47 THR CB C 68.157 0.06 . 416 . 47 THR HB H 4.165 0.02 . 417 . 47 THR HG2 H 1.162 0.02 . 418 . 47 THR CG2 C 19.718 0.06 . 419 . 48 ILE N N 122.032 0.3 . 420 . 48 ILE H H 8.522 0.02 . 421 . 48 ILE CA C 60.657 0.06 . 422 . 48 ILE HA H 4.212 0.02 . 423 . 48 ILE CB C 36.906 0.06 . 424 . 48 ILE HB H 2.152 0.02 . 425 . 48 ILE HG2 H 0.986 0.02 . 426 . 48 ILE CG2 C 16.280 0.06 . 427 . 48 ILE HG12 H 1.583 0.02 . 428 . 48 ILE HG13 H 1.253 0.02 . 429 . 48 ILE HD1 H 0.727 0.02 . 430 . 48 ILE CD1 C 10.342 0.06 . 431 . 49 CYS N N 127.485 0.3 . 432 . 49 CYS H H 10.304 0.02 . 433 . 49 CYS HB2 H 3.052 0.02 . 434 . 49 CYS HB3 H 2.571 0.02 . 435 . 50 PRO HD2 H 3.644 0.02 . 436 . 50 PRO HD3 H 3.401 0.02 . 437 . 51 PRO CD C 47.531 0.06 . 438 . 51 PRO CA C 63.470 0.06 . 439 . 51 PRO HA H 4.212 0.02 . 440 . 51 PRO CB C 27.843 0.06 . 441 . 51 PRO HB2 H 1.686 0.02 . 442 . 51 PRO HB3 H 2.174 0.02 . 443 . 51 PRO CG C 25.030 0.06 . 444 . 51 PRO HG2 H 2.021 0.02 . 445 . 51 PRO HG3 H 2.339 0.02 . 446 . 51 PRO HD2 H 3.371 0.02 . 447 . 51 PRO HD3 H 3.548 0.02 . 448 . 52 MET N N 114.595 0.3 . 449 . 52 MET H H 7.947 0.02 . 450 . 52 MET CA C 57.219 0.06 . 451 . 52 MET HA H 4.213 0.02 . 452 . 52 MET HB2 H 2.101 0.02 . 453 . 52 MET HG2 H 2.353 0.02 . 454 . 52 MET HG3 H 2.786 0.02 . 455 . 53 THR N N 114.926 0.3 . 456 . 53 THR H H 8.153 0.02 . 457 . 53 THR CA C 64.407 0.06 . 458 . 53 THR HA H 3.973 0.02 . 459 . 53 THR CB C 66.595 0.06 . 460 . 53 THR HB H 3.873 0.02 . 461 . 53 THR HG2 H 0.458 0.02 . 462 . 53 THR CG2 C 17.530 0.06 . 463 . 54 ALA N N 129.964 0.3 . 464 . 54 ALA H H 8.994 0.02 . 465 . 54 ALA CA C 53.469 0.06 . 466 . 54 ALA HA H 4.047 0.02 . 467 . 54 ALA HB H 1.594 0.02 . 468 . 54 ALA CB C 15.030 0.06 . 469 . 55 HIS N N 117.735 0.3 . 470 . 55 HIS H H 8.854 0.02 . 471 . 55 HIS CA C 54.719 0.06 . 472 . 55 HIS HA H 5.048 0.02 . 473 . 55 HIS CB C 25.655 0.06 . 474 . 55 HIS HB2 H 3.765 0.02 . 475 . 55 HIS HB3 H 3.440 0.02 . 476 . 55 HIS HD2 H 7.348 0.02 . 477 . 55 HIS HE1 H 8.643 0.02 . 478 . 56 MET N N 121.371 0.3 . 479 . 56 MET H H 9.009 0.02 . 480 . 56 MET CA C 54.719 0.06 . 481 . 56 MET HA H 4.205 0.02 . 482 . 56 MET CB C 27.843 0.06 . 483 . 56 MET HB2 H 1.581 0.02 . 484 . 56 MET HG2 H 2.220 0.02 . 485 . 57 THR N N 118.561 0.3 . 486 . 57 THR H H 8.312 0.02 . 487 . 57 THR CA C 65.345 0.06 . 488 . 57 THR HA H 4.583 0.02 . 489 . 57 THR CB C 65.970 0.06 . 490 . 57 THR HB H 4.115 0.02 . 491 . 57 THR HG2 H 1.126 0.02 . 492 . 57 THR CG2 C 20.030 0.06 . 493 . 58 ASP N N 122.362 0.3 . 494 . 58 ASP H H 7.856 0.02 . 495 . 58 ASP CA C 54.719 0.06 . 496 . 58 ASP HA H 4.354 0.02 . 497 . 58 ASP CB C 37.531 0.06 . 498 . 58 ASP HB2 H 2.981 0.02 . 499 . 58 ASP HB3 H 2.263 0.02 . 500 . 59 LEU N N 120.379 0.3 . 501 . 59 LEU H H 8.056 0.02 . 502 . 59 LEU CA C 55.344 0.06 . 503 . 59 LEU HA H 3.773 0.02 . 504 . 59 LEU CB C 38.781 0.06 . 505 . 59 LEU HB2 H 1.747 0.02 . 506 . 59 LEU HB3 H 1.597 0.02 . 507 . 59 LEU HG H 0.999 0.02 . 508 . 59 LEU HD1 H 0.797 0.02 . 509 . 59 LEU HD2 H 0.861 0.02 . 510 . 60 GLN N N 119.883 0.3 . 511 . 60 GLN H H 8.843 0.02 . 512 . 60 GLN CA C 57.532 0.06 . 513 . 60 GLN HA H 3.625 0.02 . 514 . 60 GLN CB C 25.968 0.06 . 515 . 60 GLN HB2 H 1.740 0.02 . 516 . 60 GLN HB3 H 2.689 0.02 . 517 . 60 GLN CG C 32.218 0.06 . 518 . 60 GLN HG2 H 2.268 0.02 . 519 . 60 GLN HG3 H 2.037 0.02 . 520 . 60 GLN NE2 N 119.553 0.3 . 521 . 60 GLN HE21 H 8.481 0.02 . 522 . 60 GLN HE22 H 8.945 0.02 . 523 . 61 LYS N N 118.231 0.3 . 524 . 61 LYS H H 8.023 0.02 . 525 . 61 LYS CA C 57.532 0.06 . 526 . 61 LYS HA H 3.957 0.02 . 527 . 61 LYS CB C 29.718 0.06 . 528 . 61 LYS HB2 H 1.980 0.02 . 529 . 61 LYS HB3 H 1.890 0.02 . 530 . 61 LYS CG C 22.530 0.06 . 531 . 61 LYS HG2 H 1.651 0.02 . 532 . 61 LYS HG3 H 1.432 0.02 . 533 . 61 LYS CD C 26.905 0.06 . 534 . 61 LYS HD2 H 1.672 0.02 . 535 . 62 LYS N N 121.536 0.3 . 536 . 62 LYS H H 8.273 0.02 . 537 . 62 LYS CA C 56.907 0.06 . 538 . 62 LYS HA H 3.941 0.02 . 539 . 62 LYS CB C 30.968 0.06 . 540 . 62 LYS HB2 H 1.673 0.02 . 541 . 62 LYS HB3 H 1.801 0.02 . 542 . 62 LYS CG C 23.468 0.06 . 543 . 62 LYS HG2 H 1.297 0.02 . 544 . 62 LYS CD C 26.905 0.06 . 545 . 62 LYS HD2 H 1.074 0.02 . 546 . 62 LYS HD3 H 1.331 0.02 . 547 . 62 LYS HE2 H 2.419 0.02 . 548 . 63 LEU N N 119.230 0.3 . 549 . 63 LEU H H 8.610 0.02 . 550 . 63 LEU CA C 55.969 0.06 . 551 . 63 LEU HA H 3.777 0.02 . 552 . 63 LEU CB C 38.156 0.06 . 553 . 63 LEU HB2 H 1.798 0.02 . 554 . 63 LEU HB3 H 1.363 0.02 . 555 . 63 LEU CG C 24.718 0.06 . 556 . 63 LEU HG H 1.539 0.02 . 557 . 63 LEU HD1 H 0.705 0.02 . 558 . 63 LEU HD2 H 0.598 0.02 . 559 . 63 LEU CD1 C 22.530 0.06 . 560 . 63 LEU CD2 C 23.780 0.06 . 561 . 64 LYS N N 118.066 0.3 . 562 . 64 LYS H H 7.576 0.02 . 563 . 64 LYS CA C 56.282 0.06 . 564 . 64 LYS HA H 4.100 0.02 . 565 . 64 LYS CB C 30.031 0.06 . 566 . 64 LYS HB2 H 1.882 0.02 . 567 . 64 LYS CG C 22.218 0.06 . 568 . 64 LYS HG2 H 1.452 0.02 . 569 . 64 LYS HD2 H 1.689 0.02 . 570 . 64 LYS CE C 39.406 0.06 . 571 . 64 LYS HE2 H 2.913 0.02 . 572 . 65 ALA N N 122.196 0.3 . 573 . 65 ALA H H 7.977 0.02 . 574 . 65 ALA CA C 51.907 0.06 . 575 . 65 ALA HA H 4.066 0.02 . 576 . 65 ALA HB H 1.464 0.02 . 577 . 65 ALA CB C 15.030 0.06 . 578 . 66 GLU N N 114.100 0.3 . 579 . 66 GLU H H 7.170 0.02 . 580 . 66 GLU CA C 53.157 0.06 . 581 . 66 GLU HA H 4.217 0.02 . 582 . 66 GLU CB C 27.843 0.06 . 583 . 66 GLU HB2 H 2.263 0.02 . 584 . 66 GLU HB3 H 1.691 0.02 . 585 . 66 GLU CG C 33.781 0.06 . 586 . 66 GLU HG2 H 2.242 0.02 . 587 . 66 GLU HG3 H 2.181 0.02 . 588 . 67 ASN N N 115.422 0.3 . 589 . 67 ASN H H 8.032 0.02 . 590 . 67 ASN CA C 51.907 0.06 . 591 . 67 ASN HA H 4.225 0.02 . 592 . 67 ASN CB C 34.406 0.06 . 593 . 67 ASN HB2 H 3.017 0.02 . 594 . 67 ASN HB3 H 2.691 0.02 . 595 . 67 ASN ND2 N 111.621 0.3 . 596 . 67 ASN HD21 H 7.441 0.02 . 597 . 67 ASN HD22 H 6.710 0.02 . 598 . 68 ILE N N 118.231 0.3 . 599 . 68 ILE H H 7.701 0.02 . 600 . 68 ILE CA C 56.907 0.06 . 601 . 68 ILE HA H 4.077 0.02 . 602 . 68 ILE CB C 36.281 0.06 . 603 . 68 ILE HB H 1.552 0.02 . 604 . 68 ILE HG2 H 0.639 0.02 . 605 . 68 ILE CG2 C 15.655 0.06 . 606 . 68 ILE CG1 C 24.405 0.06 . 607 . 68 ILE HG12 H 0.929 0.02 . 608 . 68 ILE HG13 H 1.359 0.02 . 609 . 68 ILE HD1 H 0.703 0.02 . 610 . 68 ILE CD1 C 11.592 0.06 . 611 . 69 ASP N N 127.599 0.3 . 612 . 69 ASP H H 8.432 0.02 . 613 . 69 ASP CA C 52.219 0.06 . 614 . 69 ASP HA H 4.528 0.02 . 615 . 69 ASP HB2 H 2.483 0.02 . 616 . 69 ASP HB3 H 2.644 0.02 . 617 . 70 VAL N N 119.388 0.3 . 618 . 70 VAL H H 7.831 0.02 . 619 . 70 VAL CA C 56.907 0.06 . 620 . 70 VAL HA H 4.852 0.02 . 621 . 70 VAL CB C 33.156 0.06 . 622 . 70 VAL HB H 2.053 0.02 . 623 . 70 VAL HG1 H 0.679 0.02 . 624 . 70 VAL HG2 H 0.699 0.02 . 625 . 70 VAL CG1 C 17.530 0.06 . 626 . 70 VAL CG2 C 17.530 0.06 . 627 . 71 ARG N N 121.371 0.3 . 628 . 71 ARG H H 8.144 0.02 . 629 . 71 ARG CA C 51.594 0.06 . 630 . 71 ARG HA H 4.948 0.02 . 631 . 71 ARG CB C 30.656 0.06 . 632 . 71 ARG HB2 H 1.588 0.02 . 633 . 71 ARG HB3 H 1.852 0.02 . 634 . 71 ARG CG C 24.405 0.06 . 635 . 71 ARG HG2 H 1.520 0.02 . 636 . 71 ARG HG3 H 1.451 0.02 . 637 . 71 ARG CD C 40.031 0.06 . 638 . 71 ARG HD2 H 3.110 0.02 . 639 . 71 ARG HD3 H 2.984 0.02 . 640 . 71 ARG NE N 123.684 0.3 . 641 . 71 ARG HE H 7.931 0.02 . 642 . 71 ARG HH21 H 6.641 0.02 . 643 . 71 ARG HH11 H 6.486 0.02 . 644 . 72 ILE N N 120.379 0.3 . 645 . 72 ILE H H 8.784 0.02 . 646 . 72 ILE HA H 4.647 0.02 . 647 . 72 ILE CB C 37.844 0.06 . 648 . 72 ILE HB H 0.852 0.02 . 649 . 72 ILE HG2 H 0.109 0.02 . 650 . 72 ILE CG2 C 10.967 0.06 . 651 . 72 ILE CG1 C 25.343 0.06 . 652 . 72 ILE HG12 H 0.384 0.02 . 653 . 72 ILE HG13 H 1.140 0.02 . 654 . 72 ILE HD1 H -0.772 0.02 . 655 . 72 ILE CD1 C 12.217 0.06 . 656 . 73 ILE N N 129.303 0.3 . 657 . 73 ILE H H 9.137 0.02 . 658 . 73 ILE CA C 55.032 0.06 . 659 . 73 ILE HA H 4.888 0.02 . 660 . 73 ILE CB C 36.906 0.06 . 661 . 73 ILE HB H 1.883 0.02 . 662 . 73 ILE HG2 H -0.265 0.02 . 663 . 73 ILE CG2 C 14.092 0.06 . 664 . 73 ILE CG1 C 24.718 0.06 . 665 . 73 ILE HG12 H 1.123 0.02 . 666 . 73 ILE HG13 H 0.938 0.02 . 667 . 73 ILE HD1 H 0.573 0.02 . 668 . 73 ILE CD1 C 9.092 0.06 . 669 . 74 SER N N 118.727 0.3 . 670 . 74 SER H H 8.378 0.02 . 671 . 74 SER CA C 53.157 0.06 . 672 . 74 SER HA H 5.209 0.02 . 673 . 74 SER CB C 62.845 0.06 . 674 . 74 SER HB2 H 3.381 0.02 . 675 . 74 SER HB3 H 2.974 0.02 . 676 . 75 PHE N N 124.177 0.3 . 677 . 75 PHE H H 8.896 0.02 . 678 . 75 PHE CA C 54.719 0.06 . 679 . 75 PHE HA H 4.383 0.02 . 680 . 75 PHE HB2 H 2.814 0.02 . 681 . 75 PHE HB3 H 2.605 0.02 . 682 . 75 PHE HZ H 6.337 0.02 . 683 . 75 PHE HD1 H 7.221 0.02 . 684 . 75 PHE HE1 H 6.233 0.02 . 685 . 76 SER N N 115.917 0.3 . 686 . 76 SER H H 8.221 0.02 . 687 . 76 SER HA H 5.501 0.02 . 688 . 76 SER HB2 H 4.098 0.02 . 689 . 76 SER HB3 H 3.961 0.02 . 690 . 77 VAL N N 119.222 0.3 . 691 . 77 VAL H H 9.057 0.02 . 692 . 77 VAL HA H 4.714 0.02 . 693 . 77 VAL CB C 27.531 0.06 . 694 . 77 VAL HB H 2.523 0.02 . 695 . 77 VAL HG1 H 0.473 0.02 . 696 . 77 VAL HG2 H 1.091 0.02 . 697 . 77 VAL CG1 C 16.592 0.06 . 698 . 77 VAL CG2 C 22.843 0.06 . 699 . 78 ASP N N 116.413 0.3 . 700 . 78 ASP H H 8.599 0.02 . 701 . 78 ASP CA C 48.782 0.06 . 702 . 78 ASP HA H 5.318 0.02 . 703 . 78 ASP CB C 40.969 0.06 . 704 . 78 ASP HB2 H 1.928 0.02 . 705 . 78 ASP HB3 H 2.909 0.02 . 706 . 79 PRO CD C 47.844 0.06 . 707 . 79 PRO CA C 61.595 0.06 . 708 . 79 PRO HA H 3.974 0.02 . 709 . 79 PRO CB C 30.343 0.06 . 710 . 79 PRO HB2 H 1.870 0.02 . 711 . 79 PRO CG C 26.280 0.06 . 712 . 79 PRO HG3 H 1.629 0.02 . 713 . 79 PRO HD2 H 3.071 0.02 . 714 . 79 PRO HD3 H 4.161 0.02 . 715 . 80 GLU N N 115.917 0.3 . 716 . 80 GLU H H 8.593 0.02 . 717 . 80 GLU CA C 56.594 0.06 . 718 . 80 GLU HA H 3.834 0.02 . 719 . 80 GLU CB C 26.905 0.06 . 720 . 80 GLU HB2 H 1.806 0.02 . 721 . 80 GLU CG C 33.468 0.06 . 722 . 80 GLU HG2 H 2.243 0.02 . 723 . 80 GLU HG3 H 2.154 0.02 . 724 . 81 ASN N N 110.464 0.3 . 725 . 81 ASN H H 6.715 0.02 . 726 . 81 ASN HA H 4.778 0.02 . 727 . 81 ASN HB2 H 2.539 0.02 . 728 . 81 ASN ND2 N 117.570 0.3 . 729 . 81 ASN HD21 H 6.892 0.02 . 730 . 81 ASN HD22 H 8.865 0.02 . 731 . 82 ASP N N 125.832 0.3 . 732 . 82 ASP H H 8.291 0.02 . 733 . 82 ASP HA H 4.540 0.02 . 734 . 82 ASP CB C 34.718 0.06 . 735 . 82 ASP HB2 H 2.254 0.02 . 736 . 82 ASP HB3 H 2.937 0.02 . 737 . 83 LYS N N 121.701 0.3 . 738 . 83 LYS H H 7.258 0.02 . 739 . 83 LYS CA C 52.532 0.06 . 740 . 83 LYS HA H 4.350 0.02 . 741 . 83 LYS CB C 27.218 0.06 . 742 . 83 LYS HB2 H 1.714 0.02 . 743 . 83 LYS HB3 H 2.080 0.02 . 744 . 83 LYS CG C 22.843 0.06 . 745 . 83 LYS HG2 H 1.464 0.02 . 746 . 83 LYS HG3 H 1.362 0.02 . 747 . 83 LYS HD2 H 1.610 0.02 . 748 . 84 PRO N N 121.701 0.3 . 749 . 84 PRO CA C 65.657 0.06 . 750 . 84 PRO HA H 3.785 0.02 . 751 . 84 PRO CB C 28.781 0.06 . 752 . 84 PRO HB2 H 1.762 0.02 . 753 . 84 PRO HB3 H 2.595 0.02 . 754 . 84 PRO CG C 25.655 0.06 . 755 . 84 PRO HG2 H 2.094 0.02 . 756 . 84 PRO HG3 H 1.573 0.02 . 757 . 84 PRO HD2 H 3.703 0.02 . 758 . 85 LYS N N 113.273 0.3 . 759 . 85 LYS H H 8.540 0.02 . 760 . 85 LYS CA C 56.907 0.06 . 761 . 85 LYS HA H 3.817 0.02 . 762 . 85 LYS CB C 30.031 0.06 . 763 . 85 LYS HB2 H 1.730 0.02 . 764 . 85 LYS HB3 H 1.646 0.02 . 765 . 85 LYS CG C 22.218 0.06 . 766 . 85 LYS HG2 H 1.419 0.02 . 767 . 85 LYS HG3 H 1.263 0.02 . 768 . 85 LYS CD C 26.593 0.06 . 769 . 85 LYS HD2 H 1.587 0.02 . 770 . 85 LYS HE2 H 2.880 0.02 . 771 . 86 GLN N N 119.388 0.3 . 772 . 86 GLN H H 7.374 0.02 . 773 . 86 GLN CA C 55.969 0.06 . 774 . 86 GLN HA H 4.074 0.02 . 775 . 86 GLN CB C 25.655 0.06 . 776 . 86 GLN HB2 H 2.362 0.02 . 777 . 86 GLN HB3 H 2.100 0.02 . 778 . 86 GLN CG C 31.593 0.06 . 779 . 86 GLN HG2 H 2.656 0.02 . 780 . 86 GLN HG3 H 2.400 0.02 . 781 . 86 GLN NE2 N 108.977 0.3 . 782 . 86 GLN HE21 H 6.623 0.02 . 783 . 86 GLN HE22 H 7.571 0.02 . 784 . 87 LEU N N 119.553 0.3 . 785 . 87 LEU H H 8.032 0.02 . 786 . 87 LEU HA H 3.757 0.02 . 787 . 87 LEU CB C 39.094 0.06 . 788 . 87 LEU HB2 H 1.916 0.02 . 789 . 87 LEU HB3 H 0.964 0.02 . 790 . 87 LEU HG H 1.338 0.02 . 791 . 87 LEU HD1 H 0.688 0.02 . 792 . 87 LEU HD2 H 0.631 0.02 . 793 . 87 LEU CD2 C 23.780 0.06 . 794 . 88 LYS N N 116.083 0.3 . 795 . 88 LYS H H 8.074 0.02 . 796 . 88 LYS CA C 58.470 0.06 . 797 . 88 LYS HA H 3.619 0.02 . 798 . 88 LYS CB C 29.406 0.06 . 799 . 88 LYS HB2 H 1.666 0.02 . 800 . 88 LYS HB3 H 1.736 0.02 . 801 . 88 LYS CG C 24.718 0.06 . 802 . 88 LYS HG2 H 0.985 0.02 . 803 . 88 LYS CD C 26.593 0.06 . 804 . 88 LYS HD2 H 1.412 0.02 . 805 . 88 LYS HE2 H 2.595 0.02 . 806 . 89 LYS N N 119.388 0.3 . 807 . 89 LYS H H 7.587 0.02 . 808 . 89 LYS CA C 57.219 0.06 . 809 . 89 LYS HA H 3.874 0.02 . 810 . 89 LYS CB C 29.406 0.06 . 811 . 89 LYS HB2 H 1.806 0.02 . 812 . 89 LYS CG C 22.843 0.06 . 813 . 89 LYS HG2 H 1.442 0.02 . 814 . 89 LYS HG3 H 1.322 0.02 . 815 . 89 LYS CD C 26.593 0.06 . 816 . 89 LYS HD2 H 1.604 0.02 . 817 . 90 PHE N N 119.388 0.3 . 818 . 90 PHE H H 7.854 0.02 . 819 . 90 PHE CA C 58.157 0.06 . 820 . 90 PHE HA H 4.134 0.02 . 821 . 90 PHE HB2 H 3.105 0.02 . 822 . 90 PHE HB3 H 2.996 0.02 . 823 . 90 PHE HZ H 6.814 0.02 . 824 . 90 PHE HD1 H 7.033 0.02 . 825 . 90 PHE HE1 H 7.304 0.02 . 826 . 91 ALA N N 119.047 0.3 . 827 . 91 ALA H H 8.152 0.02 . 828 . 91 ALA CA C 51.594 0.06 . 829 . 91 ALA HA H 3.431 0.02 . 830 . 91 ALA HB H 0.828 0.02 . 831 . 91 ALA CB C 16.592 0.06 . 832 . 92 ALA N N 115.091 0.3 . 833 . 92 ALA H H 7.297 0.02 . 834 . 92 ALA CA C 50.969 0.06 . 835 . 92 ALA HA H 4.093 0.02 . 836 . 92 ALA HB H 1.369 0.02 . 837 . 92 ALA CB C 15.342 0.06 . 838 . 93 ASN N N 112.612 0.3 . 839 . 93 ASN H H 6.956 0.02 . 840 . 93 ASN CA C 51.282 0.06 . 841 . 93 ASN HA H 4.232 0.02 . 842 . 93 ASN CB C 35.968 0.06 . 843 . 93 ASN HB2 H 2.120 0.02 . 844 . 93 ASN ND2 N 114.265 0.3 . 845 . 93 ASN HD21 H 7.265 0.02 . 846 . 93 ASN HD22 H 6.809 0.02 . 847 . 94 TYR N N 118.231 0.3 . 848 . 94 TYR H H 7.727 0.02 . 849 . 94 TYR CA C 52.844 0.06 . 850 . 94 TYR HA H 4.532 0.02 . 851 . 94 TYR CB C 37.844 0.06 . 852 . 94 TYR HB2 H 2.840 0.02 . 853 . 94 TYR HB3 H 2.427 0.02 . 854 . 94 TYR HE1 H 6.028 0.02 . 855 . 94 TYR HD1 H 6.745 0.02 . 856 . 95 PRO CD C 47.531 0.06 . 857 . 95 PRO HD2 H 3.679 0.02 . 858 . 96 LEU N N 118.231 0.3 . 859 . 96 LEU H H 7.532 0.02 . 860 . 96 LEU CA C 50.969 0.06 . 861 . 96 LEU HA H 4.532 0.02 . 862 . 96 LEU CB C 40.969 0.06 . 863 . 96 LEU HB2 H 1.856 0.02 . 864 . 96 LEU CG C 23.155 0.06 . 865 . 96 LEU HG H 1.091 0.02 . 866 . 96 LEU HD1 H -0.497 0.02 . 867 . 96 LEU HD2 H -0.301 0.02 . 868 . 96 LEU CD1 C 19.405 0.06 . 869 . 96 LEU CD2 C 23.780 0.06 . 870 . 97 SER N N 113.108 0.3 . 871 . 97 SER H H 8.514 0.02 . 872 . 97 SER HA H 4.686 0.02 . 873 . 97 SER CB C 62.532 0.06 . 874 . 97 SER HB2 H 3.783 0.02 . 875 . 97 SER HB3 H 3.603 0.02 . 876 . 98 PHE N N 123.339 0.3 . 877 . 98 PHE H H 8.750 0.02 . 878 . 98 PHE CA C 55.657 0.06 . 879 . 98 PHE HA H 5.237 0.02 . 880 . 98 PHE CB C 36.593 0.06 . 881 . 98 PHE HB2 H 3.477 0.02 . 882 . 98 PHE HB3 H 2.708 0.02 . 883 . 98 PHE HZ H 6.659 0.02 . 884 . 98 PHE HD1 H 7.333 0.02 . 885 . 98 PHE HE1 H 6.872 0.02 . 886 . 99 ASP N N 119.388 0.3 . 887 . 99 ASP H H 8.498 0.02 . 888 . 99 ASP CA C 55.032 0.06 . 889 . 99 ASP HA H 4.167 0.02 . 890 . 99 ASP CB C 36.906 0.06 . 891 . 99 ASP HB2 H 2.539 0.02 . 892 . 99 ASP HB3 H 2.599 0.02 . 893 . 100 ASN N N 113.604 0.3 . 894 . 100 ASN H H 7.286 0.02 . 895 . 100 ASN CA C 49.407 0.06 . 896 . 100 ASN HA H 4.858 0.02 . 897 . 100 ASN CB C 35.968 0.06 . 898 . 100 ASN HB2 H 2.559 0.02 . 899 . 100 ASN HB3 H 3.444 0.02 . 900 . 100 ASN ND2 N 110.464 0.3 . 901 . 100 ASN HD21 H 7.494 0.02 . 902 . 100 ASN HD22 H 6.981 0.02 . 903 . 101 TRP N N 122.692 0.3 . 904 . 101 TRP H H 7.022 0.02 . 905 . 101 TRP CA C 51.907 0.06 . 906 . 101 TRP HA H 5.974 0.02 . 907 . 101 TRP CB C 30.343 0.06 . 908 . 101 TRP HB2 H 2.726 0.02 . 909 . 101 TRP HB3 H 3.587 0.02 . 910 . 101 TRP NE1 N 126.821 0.3 . 911 . 101 TRP HD1 H 6.454 0.02 . 912 . 101 TRP HE3 H 7.363 0.02 . 913 . 101 TRP HE1 H 8.480 0.02 . 914 . 101 TRP HZ3 H 6.745 0.02 . 915 . 101 TRP HZ2 H 6.893 0.02 . 916 . 101 TRP HH2 H 7.013 0.02 . 917 . 102 ASP N N 120.379 0.3 . 918 . 102 ASP H H 8.639 0.02 . 919 . 102 ASP CA C 50.969 0.06 . 920 . 102 ASP HA H 5.488 0.02 . 921 . 102 ASP CB C 44.406 0.06 . 922 . 102 ASP HB2 H 2.509 0.02 . 923 . 102 ASP HB3 H 2.400 0.02 . 924 . 103 PHE N N 123.849 0.3 . 925 . 103 PHE H H 9.234 0.02 . 926 . 103 PHE CA C 53.782 0.06 . 927 . 103 PHE HA H 5.046 0.02 . 928 . 103 PHE CB C 38.156 0.06 . 929 . 103 PHE HB2 H 3.234 0.02 . 930 . 103 PHE HB3 H 2.754 0.02 . 931 . 103 PHE HZ H 6.022 0.02 . 932 . 103 PHE HD1 H 6.942 0.02 . 933 . 103 PHE HE1 H 6.176 0.02 . 934 . 104 LEU N N 118.892 0.3 . 935 . 104 LEU H H 8.749 0.02 . 936 . 104 LEU CA C 50.657 0.06 . 937 . 104 LEU HA H 5.378 0.02 . 938 . 104 LEU CB C 40.656 0.06 . 939 . 104 LEU HB2 H 1.819 0.02 . 940 . 104 LEU HB3 H 1.625 0.02 . 941 . 104 LEU HG H 1.385 0.02 . 942 . 104 LEU HD1 H 0.765 0.02 . 943 . 104 LEU HD2 H 0.588 0.02 . 944 . 104 LEU CD1 C 23.468 0.06 . 945 . 104 LEU CD2 C 21.905 0.06 . 946 . 105 THR N N 110.464 0.3 . 947 . 105 THR H H 8.657 0.02 . 948 . 105 THR CA C 56.594 0.06 . 949 . 105 THR HA H 3.885 0.02 . 950 . 105 THR CB C 65.657 0.06 . 951 . 105 THR HB H 4.191 0.02 . 952 . 105 THR HG2 H 0.740 0.02 . 953 . 105 THR CG2 C 15.342 0.06 . 954 . 106 GLY N N 105.176 0.3 . 955 . 106 GLY H H 7.951 0.02 . 956 . 106 GLY CA C 43.156 0.06 . 957 . 106 GLY HA2 H 3.501 0.02 . 958 . 106 GLY HA3 H 4.148 0.02 . 959 . 107 TYR N N 116.909 0.3 . 960 . 107 TYR H H 5.839 0.02 . 961 . 107 TYR CA C 49.407 0.06 . 962 . 107 TYR HA H 4.817 0.02 . 963 . 107 TYR CB C 36.593 0.06 . 964 . 107 TYR HB2 H 2.690 0.02 . 965 . 107 TYR HB3 H 3.092 0.02 . 966 . 107 TYR HD1 H 6.180 0.02 . 967 . 108 SER N N 113.769 0.3 . 968 . 108 SER H H 8.933 0.02 . 969 . 108 SER HA H 4.595 0.02 . 970 . 108 SER CB C 63.157 0.06 . 971 . 108 SER HB2 H 3.949 0.02 . 972 . 108 SER HB3 H 4.316 0.02 . 973 . 109 GLN N N 122.032 0.3 . 974 . 109 GLN H H 9.143 0.02 . 975 . 109 GLN CA C 55.969 0.06 . 976 . 109 GLN HA H 3.742 0.02 . 977 . 109 GLN HB2 H 1.983 0.02 . 978 . 109 GLN HB3 H 2.225 0.02 . 979 . 109 GLN CG C 30.031 0.06 . 980 . 109 GLN HG2 H 2.293 0.02 . 981 . 109 GLN HG3 H 2.264 0.02 . 982 . 109 GLN NE2 N 108.977 0.3 . 983 . 109 GLN HE21 H 7.977 0.02 . 984 . 109 GLN HE22 H 6.897 0.02 . 985 . 110 SER N N 110.960 0.3 . 986 . 110 SER H H 8.437 0.02 . 987 . 110 SER HA H 4.111 0.02 . 988 . 110 SER HB2 H 3.834 0.02 . 989 . 111 GLU N N 120.875 0.3 . 990 . 111 GLU H H 7.791 0.02 . 991 . 111 GLU HA H 4.063 0.02 . 992 . 111 GLU CB C 27.531 0.06 . 993 . 111 GLU HB2 H 1.898 0.02 . 994 . 111 GLU HB3 H 2.387 0.02 . 995 . 111 GLU CG C 34.406 0.06 . 996 . 111 GLU HG2 H 2.278 0.02 . 997 . 111 GLU HG3 H 2.351 0.02 . 998 . 112 ILE N N 118.561 0.3 . 999 . 112 ILE H H 7.709 0.02 . 1000 . 112 ILE CA C 56.907 0.06 . 1001 . 112 ILE HA H 4.231 0.02 . 1002 . 112 ILE CB C 35.031 0.06 . 1003 . 112 ILE HB H 1.743 0.02 . 1004 . 112 ILE HG2 H 1.169 0.02 . 1005 . 112 ILE CG2 C 16.280 0.06 . 1006 . 112 ILE HD1 H 0.261 0.02 . 1007 . 112 ILE CD1 C 10.967 0.06 . 1008 . 113 GLU N N 123.684 0.3 . 1009 . 113 GLU H H 7.769 0.02 . 1010 . 113 GLU CA C 57.219 0.06 . 1011 . 113 GLU HA H 3.740 0.02 . 1012 . 113 GLU CB C 26.280 0.06 . 1013 . 113 GLU HB2 H 2.079 0.02 . 1014 . 113 GLU HB3 H 1.990 0.02 . 1015 . 113 GLU CG C 34.718 0.06 . 1016 . 113 GLU HG2 H 2.679 0.02 . 1017 . 114 GLU N N 119.057 0.3 . 1018 . 114 GLU H H 7.907 0.02 . 1019 . 114 GLU CA C 56.907 0.06 . 1020 . 114 GLU HA H 4.076 0.02 . 1021 . 114 GLU CB C 27.218 0.06 . 1022 . 114 GLU HB2 H 2.089 0.02 . 1023 . 114 GLU HB3 H 2.016 0.02 . 1024 . 114 GLU CG C 34.093 0.06 . 1025 . 114 GLU HG2 H 2.239 0.02 . 1026 . 114 GLU HG3 H 2.359 0.02 . 1027 . 115 PHE N N 119.883 0.3 . 1028 . 115 PHE H H 8.322 0.02 . 1029 . 115 PHE CA C 59.407 0.06 . 1030 . 115 PHE HA H 4.191 0.02 . 1031 . 115 PHE CB C 37.218 0.06 . 1032 . 115 PHE HB2 H 3.364 0.02 . 1033 . 115 PHE HB3 H 2.965 0.02 . 1034 . 115 PHE HZ H 6.958 0.02 . 1035 . 115 PHE HD1 H 6.959 0.02 . 1036 . 115 PHE HE2 H 6.815 0.02 . 1037 . 116 ALA N N 121.040 0.3 . 1038 . 116 ALA H H 8.773 0.02 . 1039 . 116 ALA CA C 52.844 0.06 . 1040 . 116 ALA HA H 3.569 0.02 . 1041 . 116 ALA HB H 0.919 0.02 . 1042 . 116 ALA CB C 16.592 0.06 . 1043 . 117 LEU N N 118.727 0.3 . 1044 . 117 LEU H H 7.204 0.02 . 1045 . 117 LEU CA C 54.719 0.06 . 1046 . 117 LEU HA H 3.976 0.02 . 1047 . 117 LEU CB C 39.719 0.06 . 1048 . 117 LEU HB2 H 1.798 0.02 . 1049 . 117 LEU HB3 H 1.642 0.02 . 1050 . 117 LEU CG C 24.718 0.06 . 1051 . 117 LEU HG H 1.281 0.02 . 1052 . 117 LEU HD1 H 0.780 0.02 . 1053 . 117 LEU HD2 H 0.571 0.02 . 1054 . 117 LEU CD1 C 23.155 0.06 . 1055 . 117 LEU CD2 C 20.343 0.06 . 1056 . 118 LYS N N 117.405 0.3 . 1057 . 118 LYS H H 8.169 0.02 . 1058 . 118 LYS CA C 56.907 0.06 . 1059 . 118 LYS HA H 3.748 0.02 . 1060 . 118 LYS CB C 30.656 0.06 . 1061 . 118 LYS HB2 H 1.723 0.02 . 1062 . 118 LYS HB3 H 1.650 0.02 . 1063 . 118 LYS CG C 22.843 0.06 . 1064 . 118 LYS HG2 H 1.299 0.02 . 1065 . 118 LYS HD2 H 1.522 0.02 . 1066 . 119 SER N N 110.134 0.3 . 1067 . 119 SER H H 8.000 0.02 . 1068 . 119 SER CA C 58.782 0.06 . 1069 . 119 SER HA H 4.084 0.02 . 1070 . 119 SER CB C 62.220 0.06 . 1071 . 119 SER HB2 H 2.678 0.02 . 1072 . 119 SER HB3 H 3.067 0.02 . 1073 . 120 PHE N N 108.151 0.3 . 1074 . 120 PHE H H 6.421 0.02 . 1075 . 120 PHE CA C 54.719 0.06 . 1076 . 120 PHE HA H 4.158 0.02 . 1077 . 120 PHE HB2 H 2.595 0.02 . 1078 . 120 PHE HB3 H 2.220 0.02 . 1079 . 120 PHE HZ H 6.869 0.02 . 1080 . 120 PHE HD1 H 6.166 0.02 . 1081 . 120 PHE HE1 H 6.661 0.02 . 1082 . 121 LYS N N 114.595 0.3 . 1083 . 121 LYS H H 6.951 0.02 . 1084 . 121 LYS CA C 54.094 0.06 . 1085 . 121 LYS HA H 3.958 0.02 . 1086 . 121 LYS CB C 26.280 0.06 . 1087 . 121 LYS HB2 H 1.651 0.02 . 1088 . 121 LYS HB3 H 1.486 0.02 . 1089 . 121 LYS CG C 22.530 0.06 . 1090 . 121 LYS HG2 H 0.473 0.02 . 1091 . 121 LYS CD C 25.655 0.06 . 1092 . 121 LYS HD2 H 1.016 0.02 . 1093 . 121 LYS HD3 H 1.107 0.02 . 1094 . 121 LYS CE C 39.719 0.06 . 1095 . 121 LYS HE2 H 2.392 0.02 . 1096 . 121 LYS HE3 H 2.462 0.02 . 1097 . 122 ALA N N 120.544 0.3 . 1098 . 122 ALA H H 7.310 0.02 . 1099 . 122 ALA CA C 47.531 0.06 . 1100 . 122 ALA HA H 4.416 0.02 . 1101 . 122 ALA HB H 0.783 0.02 . 1102 . 122 ALA CB C 18.468 0.06 . 1103 . 123 ILE N N 121.535 0.3 . 1104 . 123 ILE H H 8.175 0.02 . 1105 . 123 ILE CA C 58.470 0.06 . 1106 . 123 ILE HA H 3.635 0.02 . 1107 . 123 ILE CB C 34.406 0.06 . 1108 . 123 ILE HB H 1.623 0.02 . 1109 . 123 ILE HG2 H 0.609 0.02 . 1110 . 123 ILE CG2 C 14.092 0.06 . 1111 . 123 ILE CG1 C 24.718 0.06 . 1112 . 123 ILE HG12 H 1.001 0.02 . 1113 . 123 ILE HG13 H 1.337 0.02 . 1114 . 123 ILE HD1 H 0.655 0.02 . 1115 . 123 ILE CD1 C 9.092 0.06 . 1116 . 124 VAL N N 127.815 0.3 . 1117 . 124 VAL H H 8.116 0.02 . 1118 . 124 VAL HB H 1.768 0.02 . 1119 . 124 VAL HG1 H 0.498 0.02 . 1120 . 124 VAL HG2 H 0.626 0.02 . 1121 . 125 LYS N N 128.807 0.3 . 1122 . 125 LYS H H 8.703 0.02 . 1123 . 125 LYS HA H 4.415 0.02 . 1124 . 125 LYS HB2 H 1.597 0.02 . 1125 . 125 LYS HG2 H 1.023 0.02 . 1126 . 125 LYS HD2 H 1.429 0.02 . 1127 . 127 PRO HA H 4.223 0.02 . 1128 . 127 PRO HG3 H 1.604 0.02 . 1129 . 127 PRO HD2 H 3.994 0.02 . 1130 . 127 PRO HD3 H 3.386 0.02 . 1131 . 128 GLU N N 121.866 0.3 . 1132 . 128 GLU H H 8.419 0.02 . 1133 . 128 GLU HA H 4.061 0.02 . 1134 . 128 GLU HB2 H 1.885 0.02 . 1135 . 128 GLU HG2 H 2.171 0.02 . 1136 . 129 GLY N N 111.290 0.3 . 1137 . 129 GLY H H 8.571 0.02 . 1138 . 129 GLY CA C 43.156 0.06 . 1139 . 129 GLY HA2 H 4.016 0.02 . 1140 . 129 GLY HA3 H 3.705 0.02 . 1141 . 130 GLU HA H 4.452 0.02 . 1142 . 130 GLU HB2 H 1.965 0.02 . 1143 . 130 GLU HB3 H 1.707 0.02 . 1144 . 130 GLU HG2 H 2.087 0.02 . 1145 . 131 ASP N N 117.570 0.3 . 1146 . 131 ASP H H 8.243 0.02 . 1147 . 131 ASP HA H 4.549 0.02 . 1148 . 131 ASP HB2 H 2.536 0.02 . 1149 . 131 ASP HB3 H 2.647 0.02 . 1150 . 132 GLN N N 117.735 0.3 . 1151 . 132 GLN H H 7.773 0.02 . 1152 . 132 GLN CA C 52.844 0.06 . 1153 . 132 GLN HA H 4.286 0.02 . 1154 . 132 GLN CB C 26.905 0.06 . 1155 . 132 GLN HB2 H 2.101 0.02 . 1156 . 132 GLN HB3 H 2.022 0.02 . 1157 . 132 GLN CG C 31.593 0.06 . 1158 . 132 GLN HG2 H 2.298 0.02 . 1159 . 132 GLN HG3 H 2.368 0.02 . 1160 . 132 GLN NE2 N 112.778 0.3 . 1161 . 132 GLN HE21 H 7.622 0.02 . 1162 . 132 GLN HE22 H 7.076 0.02 . 1163 . 133 VAL HA H 3.795 0.02 . 1164 . 134 ILE N N 127.485 0.3 . 1165 . 134 ILE H H 8.568 0.02 . 1166 . 134 ILE HA H 4.097 0.02 . 1167 . 134 ILE HB H 1.877 0.02 . 1168 . 134 ILE HG2 H 0.767 0.02 . 1169 . 134 ILE HG12 H 1.100 0.02 . 1170 . 134 ILE HG13 H 1.500 0.02 . 1171 . 134 ILE HD1 H 0.634 0.02 . 1172 . 135 HIS HA H 4.029 0.02 . 1173 . 135 HIS HB3 H 3.054 0.02 . 1174 . 135 HIS HD2 H 7.016 0.02 . 1175 . 135 HIS HE1 H 7.863 0.02 . 1176 . 136 GLN N N 121.701 0.3 . 1177 . 136 GLN H H 8.187 0.02 . 1178 . 136 GLN HB2 H 2.219 0.02 . 1179 . 136 GLN HG2 H 2.476 0.02 . 1180 . 136 GLN NE2 N 111.290 0.3 . 1181 . 136 GLN HE21 H 6.586 0.02 . 1182 . 136 GLN HE22 H 7.488 0.02 . 1183 . 137 SER CA C 54.719 0.06 . 1184 . 137 SER HA H 5.037 0.02 . 1185 . 137 SER CB C 61.595 0.06 . 1186 . 137 SER HB2 H 3.615 0.02 . 1187 . 137 SER HB3 H 4.229 0.02 . 1188 . 138 SER CA C 56.594 0.06 . 1189 . 138 SER HA H 4.840 0.02 . 1190 . 138 SER CB C 61.595 0.06 . 1191 . 138 SER HB2 H 3.315 0.02 . 1192 . 138 SER HB3 H 3.261 0.02 . 1193 . 139 PHE N N 117.735 0.3 . 1194 . 139 PHE H H 8.932 0.02 . 1195 . 139 PHE CA C 49.407 0.06 . 1196 . 139 PHE HA H 5.574 0.02 . 1197 . 139 PHE HB2 H 2.811 0.02 . 1198 . 139 PHE HB3 H 2.908 0.02 . 1199 . 139 PHE HZ H 8.082 0.02 . 1200 . 139 PHE HD1 H 6.904 0.02 . 1201 . 139 PHE HE1 H 7.086 0.02 . 1202 . 140 TYR N N 117.075 0.3 . 1203 . 140 TYR H H 9.231 0.02 . 1204 . 140 TYR CA C 54.407 0.06 . 1205 . 140 TYR HA H 5.411 0.02 . 1206 . 140 TYR CB C 39.719 0.06 . 1207 . 140 TYR HB2 H 2.563 0.02 . 1208 . 140 TYR HB3 H 2.890 0.02 . 1209 . 140 TYR HE1 H 6.666 0.02 . 1210 . 140 TYR HD2 H 6.808 0.02 . 1211 . 141 LEU N N 122.527 0.3 . 1212 . 141 LEU H H 8.760 0.02 . 1213 . 141 LEU CA C 50.969 0.06 . 1214 . 141 LEU HA H 4.940 0.02 . 1215 . 141 LEU CB C 43.469 0.06 . 1216 . 141 LEU HB2 H 1.514 0.02 . 1217 . 141 LEU HB3 H 1.874 0.02 . 1218 . 141 LEU CG C 25.655 0.06 . 1219 . 141 LEU HG H 1.296 0.02 . 1220 . 141 LEU HD1 H 0.765 0.02 . 1221 . 141 LEU HD2 H 0.782 0.02 . 1222 . 141 LEU CD1 C 24.405 0.06 . 1223 . 141 LEU CD2 C 22.530 0.06 . 1224 . 142 VAL N N 130.955 0.3 . 1225 . 142 VAL H H 9.760 0.02 . 1226 . 142 VAL CA C 58.157 0.06 . 1227 . 142 VAL HA H 4.167 0.02 . 1228 . 142 VAL CB C 28.468 0.06 . 1229 . 142 VAL HB H -0.195 0.02 . 1230 . 142 VAL HG1 H 0.548 0.02 . 1231 . 142 VAL HG2 H -0.305 0.02 . 1232 . 142 VAL CG1 C 18.468 0.06 . 1233 . 142 VAL CG2 C 16.280 0.06 . 1234 . 143 GLY N N 107.159 0.3 . 1235 . 143 GLY H H 8.559 0.02 . 1236 . 143 GLY CA C 42.219 0.06 . 1237 . 143 GLY HA2 H 4.162 0.02 . 1238 . 143 GLY HA3 H 4.245 0.02 . 1239 . 144 PRO CD C 47.531 0.06 . 1240 . 144 PRO CA C 61.907 0.06 . 1241 . 144 PRO HA H 4.922 0.02 . 1242 . 144 PRO CB C 29.406 0.06 . 1243 . 144 PRO HB2 H 2.049 0.02 . 1244 . 144 PRO HB3 H 1.758 0.02 . 1245 . 144 PRO CG C 24.405 0.06 . 1246 . 144 PRO HG3 H 1.878 0.02 . 1247 . 144 PRO HD2 H 3.797 0.02 . 1248 . 144 PRO HD3 H 3.340 0.02 . 1249 . 145 ASP N N 116.578 0.3 . 1250 . 145 ASP H H 8.403 0.02 . 1251 . 145 ASP CA C 49.719 0.06 . 1252 . 145 ASP HA H 4.586 0.02 . 1253 . 145 ASP CB C 37.531 0.06 . 1254 . 145 ASP HB2 H 2.876 0.02 . 1255 . 145 ASP HB3 H 2.581 0.02 . 1256 . 146 GLY N N 105.837 0.3 . 1257 . 146 GLY H H 8.188 0.02 . 1258 . 146 GLY CA C 44.094 0.06 . 1259 . 146 GLY HA2 H 3.484 0.02 . 1260 . 146 GLY HA3 H 4.145 0.02 . 1261 . 147 LYS N N 116.248 0.3 . 1262 . 147 LYS H H 7.064 0.02 . 1263 . 147 LYS CA C 50.969 0.06 . 1264 . 147 LYS HA H 5.043 0.02 . 1265 . 147 LYS CB C 30.656 0.06 . 1266 . 147 LYS HB2 H 1.713 0.02 . 1267 . 147 LYS HB3 H 1.171 0.02 . 1268 . 147 LYS CG C 23.155 0.06 . 1269 . 147 LYS HG2 H 0.912 0.02 . 1270 . 147 LYS HG3 H 1.156 0.02 . 1271 . 147 LYS CD C 26.593 0.06 . 1272 . 147 LYS HD2 H 1.349 0.02 . 1273 . 147 LYS CE C 38.469 0.06 . 1274 . 147 LYS HE2 H 2.770 0.02 . 1275 . 148 VAL N N 125.005 0.3 . 1276 . 148 VAL H H 9.396 0.02 . 1277 . 148 VAL CA C 60.345 0.06 . 1278 . 148 VAL HA H 3.707 0.02 . 1279 . 148 VAL CB C 29.718 0.06 . 1280 . 148 VAL HB H 1.635 0.02 . 1281 . 148 VAL HG1 H 0.484 0.02 . 1282 . 148 VAL HG2 H 0.944 0.02 . 1283 . 148 VAL CG1 C 20.343 0.06 . 1284 . 148 VAL CG2 C 20.343 0.06 . 1285 . 149 LEU N N 125.996 0.3 . 1286 . 149 LEU H H 9.599 0.02 . 1287 . 149 LEU CA C 53.782 0.06 . 1288 . 149 LEU HA H 4.351 0.02 . 1289 . 149 LEU CB C 42.531 0.06 . 1290 . 149 LEU HB2 H 1.216 0.02 . 1291 . 149 LEU HB3 H 1.536 0.02 . 1292 . 149 LEU CG C 24.405 0.06 . 1293 . 149 LEU HG H 1.809 0.02 . 1294 . 149 LEU HD1 H 0.790 0.02 . 1295 . 149 LEU HD2 H 0.754 0.02 . 1296 . 149 LEU CD1 C 23.468 0.06 . 1297 . 149 LEU CD2 C 20.343 0.06 . 1298 . 150 LYS N N 115.422 0.3 . 1299 . 150 LYS H H 7.333 0.02 . 1300 . 150 LYS CA C 51.594 0.06 . 1301 . 150 LYS HA H 4.429 0.02 . 1302 . 150 LYS CB C 35.031 0.06 . 1303 . 150 LYS HB2 H 1.547 0.02 . 1304 . 150 LYS HB3 H 1.319 0.02 . 1305 . 150 LYS CG C 21.905 0.06 . 1306 . 150 LYS HG2 H 1.051 0.02 . 1307 . 150 LYS HD2 H 0.592 0.02 . 1308 . 150 LYS HE2 H 2.845 0.02 . 1309 . 151 ASP N N 117.900 0.3 . 1310 . 151 ASP H H 7.751 0.02 . 1311 . 151 ASP CA C 48.782 0.06 . 1312 . 151 ASP HA H 5.277 0.02 . 1313 . 151 ASP CB C 41.906 0.06 . 1314 . 151 ASP HB2 H 2.076 0.02 . 1315 . 151 ASP HB3 H 2.400 0.02 . 1316 . 152 TYR N N 114.430 0.3 . 1317 . 152 TYR H H 8.542 0.02 . 1318 . 152 TYR HA H 4.641 0.02 . 1319 . 152 TYR CB C 41.281 0.06 . 1320 . 152 TYR HB2 H 2.082 0.02 . 1321 . 152 TYR HB3 H 2.753 0.02 . 1322 . 152 TYR HD1 H 6.405 0.02 . 1323 . 153 ASN N N 120.875 0.3 . 1324 . 153 ASN H H 8.887 0.02 . 1325 . 153 ASN CA C 51.594 0.06 . 1326 . 153 ASN HA H 4.327 0.02 . 1327 . 153 ASN CB C 36.281 0.06 . 1328 . 153 ASN HB2 H 2.988 0.02 . 1329 . 153 ASN HB3 H 2.485 0.02 . 1330 . 153 ASN ND2 N 113.604 0.3 . 1331 . 153 ASN HD21 H 7.581 0.02 . 1332 . 153 ASN HD22 H 7.080 0.02 . 1333 . 154 GLY N N 112.117 0.3 . 1334 . 154 GLY H H 7.699 0.02 . 1335 . 154 GLY HA2 H 4.225 0.02 . 1336 . 154 GLY HA3 H 4.336 0.02 . 1337 . 155 VAL N N 117.900 0.3 . 1338 . 155 VAL H H 8.252 0.02 . 1339 . 155 VAL CA C 61.282 0.06 . 1340 . 155 VAL HA H 3.951 0.02 . 1341 . 155 VAL CB C 31.593 0.06 . 1342 . 155 VAL HB H 1.969 0.02 . 1343 . 155 VAL HG1 H 0.960 0.02 . 1344 . 155 VAL HG2 H 1.022 0.02 . 1345 . 155 VAL CG1 C 21.280 0.06 . 1346 . 155 VAL CG2 C 19.718 0.06 . 1347 . 156 GLU N N 120.572 0.3 . 1348 . 156 GLU H H 7.591 0.02 . 1349 . 156 GLU HA H 4.352 0.02 . 1350 . 156 GLU CB C 29.093 0.06 . 1351 . 156 GLU HB2 H 1.794 0.02 . 1352 . 156 GLU HB3 H 1.713 0.02 . 1353 . 156 GLU CG C 33.468 0.06 . 1354 . 156 GLU HG2 H 2.059 0.02 . 1355 . 157 ASN N N 118.892 0.3 . 1356 . 157 ASN H H 8.748 0.02 . 1357 . 157 ASN CA C 50.534 0.06 . 1358 . 157 ASN HA H 4.107 0.02 . 1359 . 157 ASN CB C 34.718 0.06 . 1360 . 157 ASN HB2 H 2.610 0.02 . 1361 . 157 ASN HB3 H 2.742 0.02 . 1362 . 157 ASN ND2 N 112.943 0.3 . 1363 . 157 ASN HD21 H 7.529 0.02 . 1364 . 157 ASN HD22 H 6.827 0.02 . 1365 . 158 THR N N 117.570 0.3 . 1366 . 158 THR H H 7.548 0.02 . 1367 . 158 THR CA C 59.095 0.06 . 1368 . 158 THR HA H 4.036 0.02 . 1369 . 158 THR CB C 67.220 0.06 . 1370 . 158 THR HB H 2.814 0.02 . 1371 . 158 THR HG2 H 0.481 0.02 . 1372 . 158 THR CG2 C 18.155 0.06 . 1373 . 159 PRO CD C 48.782 0.06 . 1374 . 159 PRO HA H 4.674 0.02 . 1375 . 159 PRO HB2 H 2.455 0.02 . 1376 . 159 PRO HB3 H 1.999 0.02 . 1377 . 159 PRO HG3 H 1.783 0.02 . 1378 . 159 PRO HD2 H 3.482 0.02 . 1379 . 159 PRO HD3 H 3.790 0.02 . 1380 . 160 TYR N N 120.710 0.3 . 1381 . 160 TYR H H 7.592 0.02 . 1382 . 160 TYR CA C 60.345 0.06 . 1383 . 160 TYR HA H 3.661 0.02 . 1384 . 160 TYR CB C 35.968 0.06 . 1385 . 160 TYR HB2 H 2.833 0.02 . 1386 . 160 TYR HB3 H 2.706 0.02 . 1387 . 160 TYR HE1 H 7.099 0.02 . 1388 . 160 TYR HD1 H 6.912 0.02 . 1389 . 161 ASP N N 113.769 0.3 . 1390 . 161 ASP H H 8.384 0.02 . 1391 . 161 ASP CA C 55.032 0.06 . 1392 . 161 ASP HA H 4.223 0.02 . 1393 . 161 ASP HB2 H 2.542 0.02 . 1394 . 161 ASP HB3 H 2.487 0.02 . 1395 . 162 ASP N N 121.040 0.3 . 1396 . 162 ASP H H 7.494 0.02 . 1397 . 162 ASP CA C 55.032 0.06 . 1398 . 162 ASP HA H 4.311 0.02 . 1399 . 162 ASP CB C 37.844 0.06 . 1400 . 162 ASP HB2 H 2.851 0.02 . 1401 . 162 ASP HB3 H 2.732 0.02 . 1402 . 163 ILE N N 118.396 0.3 . 1403 . 163 ILE H H 7.774 0.02 . 1404 . 163 ILE CA C 63.470 0.06 . 1405 . 163 ILE HA H 3.181 0.02 . 1406 . 163 ILE CB C 34.718 0.06 . 1407 . 163 ILE HB H 1.500 0.02 . 1408 . 163 ILE HG2 H 0.456 0.02 . 1409 . 163 ILE CG2 C 15.030 0.06 . 1410 . 163 ILE CG1 C 24.093 0.06 . 1411 . 163 ILE HG12 H 0.860 0.02 . 1412 . 163 ILE HG13 H -1.366 0.02 . 1413 . 163 ILE HD1 H 0.150 0.02 . 1414 . 163 ILE CD1 C 11.905 0.06 . 1415 . 164 ILE N N 117.560 0.3 . 1416 . 164 ILE H H 8.156 0.02 . 1417 . 164 ILE CA C 63.782 0.06 . 1418 . 164 ILE HA H 3.248 0.02 . 1419 . 164 ILE CB C 35.031 0.06 . 1420 . 164 ILE HB H 1.782 0.02 . 1421 . 164 ILE HG2 H 0.698 0.02 . 1422 . 164 ILE CG2 C 11.280 0.06 . 1423 . 164 ILE CG1 C 27.218 0.06 . 1424 . 164 ILE HG12 H 0.803 0.02 . 1425 . 164 ILE HG13 H 1.628 0.02 . 1426 . 164 ILE HD1 H 0.704 0.02 . 1427 . 164 ILE CD1 C 14.717 0.06 . 1428 . 165 SER N N 112.612 0.3 . 1429 . 165 SER H H 7.674 0.02 . 1430 . 165 SER CA C 59.407 0.06 . 1431 . 165 SER HA H 4.000 0.02 . 1432 . 165 SER HB2 H 4.307 0.02 . 1433 . 165 SER HB3 H 3.943 0.02 . 1434 . 166 ASP N N 122.858 0.3 . 1435 . 166 ASP H H 8.487 0.02 . 1436 . 166 ASP HA H 4.318 0.02 . 1437 . 166 ASP CB C 36.593 0.06 . 1438 . 166 ASP HB2 H 2.273 0.02 . 1439 . 166 ASP HB3 H 2.984 0.02 . 1440 . 167 VAL N N 122.032 0.3 . 1441 . 167 VAL H H 9.084 0.02 . 1442 . 167 VAL CA C 64.720 0.06 . 1443 . 167 VAL HA H 3.412 0.02 . 1444 . 167 VAL CB C 28.468 0.06 . 1445 . 167 VAL HB H 2.202 0.02 . 1446 . 167 VAL HG1 H 0.709 0.02 . 1447 . 167 VAL HG2 H 0.895 0.02 . 1448 . 167 VAL CG1 C 20.655 0.06 . 1449 . 167 VAL CG2 C 21.593 0.06 . 1450 . 168 LYS N N 121.205 0.3 . 1451 . 168 LYS H H 8.277 0.02 . 1452 . 168 LYS CA C 58.470 0.06 . 1453 . 168 LYS HA H 3.824 0.02 . 1454 . 168 LYS HB2 H 1.999 0.02 . 1455 . 168 LYS HB3 H 1.802 0.02 . 1456 . 168 LYS HG2 H 1.334 0.02 . 1457 . 168 LYS CD C 27.843 0.06 . 1458 . 168 LYS HD2 H 1.620 0.02 . 1459 . 168 LYS HE2 H 2.706 0.02 . 1460 . 169 SER N N 115.917 0.3 . 1461 . 169 SER H H 8.407 0.02 . 1462 . 169 SER CA C 59.720 0.06 . 1463 . 169 SER HA H 4.203 0.02 . 1464 . 169 SER HB2 H 3.795 0.02 . 1465 . 169 SER HB3 H 4.015 0.02 . 1466 . 170 ALA N N 124.345 0.3 . 1467 . 170 ALA H H 8.988 0.02 . 1468 . 170 ALA CA C 51.907 0.06 . 1469 . 170 ALA HA H 3.985 0.02 . 1470 . 170 ALA HB H 1.394 0.02 . 1471 . 170 ALA CB C 16.592 0.06 . 1472 . 171 SER N N 110.464 0.3 . 1473 . 171 SER H H 7.974 0.02 . 1474 . 171 SER HA H 4.130 0.02 . 1475 . 171 SER HB2 H 3.852 0.02 . 1476 . 171 SER HB3 H 3.964 0.02 . 1477 . 172 THR N N 111.786 0.3 . 1478 . 172 THR H H 7.632 0.02 . 1479 . 172 THR CA C 60.657 0.06 . 1480 . 172 THR HA H 4.295 0.02 . 1481 . 172 THR CB C 67.220 0.06 . 1482 . 172 THR HB H 4.327 0.02 . 1483 . 172 THR HG2 H 1.328 0.02 . 1484 . 173 LEU N N 121.350 0.3 . 1485 . 173 LEU H H 7.532 0.02 . 1486 . 173 LEU HA H 4.294 0.02 . 1487 . 173 LEU CB C 39.406 0.06 . 1488 . 173 LEU HB2 H 1.609 0.02 . 1489 . 173 LEU HB3 H 1.747 0.02 . 1490 . 173 LEU HG H 1.646 0.02 . 1491 . 173 LEU HD1 H 0.782 0.02 . 1492 . 173 LEU HD2 H 0.898 0.02 . 1493 . 174 LYS N N 124.345 0.3 . 1494 . 174 LYS H H 7.217 0.02 . 1495 . 174 LYS HA H 3.797 0.02 . 1496 . 174 LYS HB2 H 1.866 0.02 . 1497 . 174 LYS HB3 H 1.672 0.02 . 1498 . 174 LYS HG2 H 1.333 0.02 . 1499 . 174 LYS HD2 H 1.400 0.02 . stop_ save_