data_6277 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR solution structure of the ubiquitin conjugating enzyme UbcH5B ; _BMRB_accession_number 6277 _BMRB_flat_file_name bmr6277.str _Entry_type original _Submission_date 2004-07-28 _Accession_date 2004-07-28 _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 Houben Klaartje . . 2 Dominguez Cyril . . 3 'van Schaik' Frederik M.A. . 4 Timmers Marc H.T. . 5 Bonvin Alexandre M.J.J. . 6 Boelens Rolf . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 752 "13C chemical shifts" 519 "15N chemical shifts" 144 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-02-21 original author . stop_ _Original_release_date 2005-02-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the ubiquitin-conjugating enzyme UbcH5B' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15522302 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Houben Klaartje . . 2 Dominguez Cyril . . 3 'van Schaik' Frederik M.A. . 4 Timmers Marc H.T. . 5 Bonvin Alexandre M.J.J. . 6 Boelens Rolf . . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_volume 344 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 513 _Page_last 526 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_molecular_system _Saveframe_category molecular_system _Mol_system_name 'ubiquitin conjugatin enzyme 5B' _Abbreviation_common 'ubiquitin conjugatin enzyme 5B' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label UbcH5B $monomeric_polymer stop_ _System_molecular_weight 16735 _System_physical_state native _System_oligomer_state protein _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function 'ubiquitin conjugating enzyme' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_monomeric_polymer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common UbcH5B _Name_variant 'E2 ubiquitin conjugating enzyme' _Abbreviation_common 'E2 ubiquitin conjugating enzyme' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 147 _Mol_residue_sequence ; MALKRIHKELNDLARDPPAQ CSAGPVGDDMFHWQATIMGP NDSPYQGGVFFLTIHFPTDY PFKPPKVAFTTRIYHPNINS NGSICLDILRSQWSPALTIS KVLLSICSLLCDPNPDDPLV PEIARIYKTDREKYNRIARE WTQKYAM ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 LEU 4 LYS 5 ARG 6 ILE 7 HIS 8 LYS 9 GLU 10 LEU 11 ASN 12 ASP 13 LEU 14 ALA 15 ARG 16 ASP 17 PRO 18 PRO 19 ALA 20 GLN 21 CYS 22 SER 23 ALA 24 GLY 25 PRO 26 VAL 27 GLY 28 ASP 29 ASP 30 MET 31 PHE 32 HIS 33 TRP 34 GLN 35 ALA 36 THR 37 ILE 38 MET 39 GLY 40 PRO 41 ASN 42 ASP 43 SER 44 PRO 45 TYR 46 GLN 47 GLY 48 GLY 49 VAL 50 PHE 51 PHE 52 LEU 53 THR 54 ILE 55 HIS 56 PHE 57 PRO 58 THR 59 ASP 60 TYR 61 PRO 62 PHE 63 LYS 64 PRO 65 PRO 66 LYS 67 VAL 68 ALA 69 PHE 70 THR 71 THR 72 ARG 73 ILE 74 TYR 75 HIS 76 PRO 77 ASN 78 ILE 79 ASN 80 SER 81 ASN 82 GLY 83 SER 84 ILE 85 CYS 86 LEU 87 ASP 88 ILE 89 LEU 90 ARG 91 SER 92 GLN 93 TRP 94 SER 95 PRO 96 ALA 97 LEU 98 THR 99 ILE 100 SER 101 LYS 102 VAL 103 LEU 104 LEU 105 SER 106 ILE 107 CYS 108 SER 109 LEU 110 LEU 111 CYS 112 ASP 113 PRO 114 ASN 115 PRO 116 ASP 117 ASP 118 PRO 119 LEU 120 VAL 121 PRO 122 GLU 123 ILE 124 ALA 125 ARG 126 ILE 127 TYR 128 LYS 129 THR 130 ASP 131 ARG 132 GLU 133 LYS 134 TYR 135 ASN 136 ARG 137 ILE 138 ALA 139 ARG 140 GLU 141 TRP 142 THR 143 GLN 144 LYS 145 TYR 146 ALA 147 MET stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 4866 ubc4 100.00 147 100.00 100.00 4.78e-105 PDB 1UR6 "Nmr Based Structural Model Of The Ubch5b-Cnot4 Complex" 100.00 147 100.00 100.00 4.78e-105 PDB 1W4U "Nmr Solution Structure Of The Ubiquitin Conjugating Enzyme Ubch5b" 100.00 147 100.00 100.00 4.78e-105 PDB 1X23 "Crystal Structure Of Ubch5c" 100.00 155 97.28 100.00 5.43e-102 PDB 2CLW "Crystal Structure Of Human Ubiquitin-conjugating Enzyme Ubch5b" 100.00 165 100.00 100.00 7.38e-105 PDB 2ESK "Human Ubiquitin-Conjugating Enzyme (E2) Ubch5b, Wild-Type" 100.00 149 100.00 100.00 5.01e-105 PDB 2ESO "Human Ubiquitin-Conjugating Enzyme (E2) Ubch5b Mutant Ile37ala" 100.00 149 99.32 99.32 2.36e-104 PDB 2ESP "Human Ubiquitin-Conjugating Enzyme (E2) Ubch5b Mutant Ile88ala" 100.00 149 99.32 99.32 2.36e-104 PDB 2ESQ "Human Ubiquitin-Conjugating Enzyme (E2) Ubch5b Mutant Ser94gly" 100.00 149 99.32 99.32 2.50e-104 PDB 2FUH "Solution Structure Of The Ubch5cUB NON-Covalent Complex" 99.32 146 97.26 100.00 2.18e-101 PDB 3A33 "Ubch5b~ubiquitin Conjugate" 100.00 150 99.32 99.32 6.05e-104 PDB 3EB6 "Structure Of The Ciap2 Ring Domain Bound To Ubch5b" 100.00 149 100.00 100.00 4.11e-105 PDB 3JVZ E2~ubiquitin-Hect 99.32 146 97.95 97.95 2.40e-101 PDB 3JW0 E2~ubiquitin-Hect 99.32 146 97.95 97.95 2.40e-101 PDB 3L1Y "Crystal Structure Of Human Ubc4 E2 Conjugating Enzyme" 100.00 157 99.32 100.00 1.28e-104 PDB 3L1Z "Crystal Structure Of The U-Box Domain Of Human E4b Ubiquitin Ligase In Complex With Ubch5c E2 Ubiquitin Conjugating Enzyme" 100.00 157 97.28 100.00 3.47e-102 PDB 3RPG "Bmi1RING1B-Ubch5c Complex Structure" 99.32 149 97.26 100.00 1.78e-101 PDB 3TGD "Crystal Structure Of The Human Ubiquitin-Conjugating Enzyme (E2) Ubch5b" 100.00 152 100.00 100.00 3.46e-105 PDB 3ZNI "Structure Of Phosphotyr363-cbl-b - Ubch5b-ub - Zap-70 Peptide Complex" 99.32 146 98.63 98.63 6.55e-102 PDB 4A49 "Structure Of Phosphotyr371-C-Cbl-Ubch5b Complex" 100.00 147 100.00 100.00 4.78e-105 PDB 4A4B "Structure Of Modified Phosphotyr371-C-Cbl-Ubch5b-Zap-70 Complex" 100.00 147 100.00 100.00 4.78e-105 PDB 4A4C "Structure Of Phosphotyr371-C-Cbl-Ubch5b-Zap-70 Complex" 100.00 147 100.00 100.00 4.78e-105 PDB 4AUQ "Structure Of Birc7-Ubch5b-Ub Complex" 100.00 147 97.96 97.96 3.63e-102 PDB 4DDG "Crystal Structure Of Human Otub1UBCH5B~UBUB" 100.00 399 99.32 99.32 5.39e-104 PDB 4DDI "Crystal Structure Of Human Otub1UBCH5B~UBUB" 100.00 399 99.32 99.32 5.39e-104 PDB 4LDT "The Structure Of H/ceotub1-ubiquitin Aldehyde-ubch5b~ub" 100.00 148 99.32 99.32 6.45e-104 PDB 4R8P "Crystal Structure Of The Ring1b/bmi1/ubch5c Prc1 Ubiquitylation Module Bound To The Nucleosome Core Particle" 99.32 268 97.26 100.00 6.17e-101 PDB 4WZ3 "Crystal Structure Of The Complex Between Lubx/legu2/lpp2887 U-box 1 And Homo Sapiens Ube2d2" 100.00 148 99.32 99.32 6.45e-104 DBJ BAA87330 "phosphoarginine phosphatase [Rattus norvegicus]" 100.00 147 97.28 100.00 2.68e-102 DBJ BAB23116 "unnamed protein product [Mus musculus]" 100.00 147 97.28 100.00 2.68e-102 DBJ BAC28070 "unnamed protein product [Mus musculus]" 100.00 147 97.28 100.00 2.68e-102 DBJ BAC33981 "unnamed protein product [Mus musculus]" 100.00 147 97.28 100.00 2.68e-102 DBJ BAC36940 "unnamed protein product [Mus musculus]" 100.00 147 97.28 100.00 2.68e-102 EMBL CAG31534 "hypothetical protein RCJMB04_7i20 [Gallus gallus]" 100.00 147 97.28 100.00 2.68e-102 EMBL CAH93209 "hypothetical protein [Pongo abelii]" 100.00 147 97.28 100.00 2.68e-102 EMBL CAJ81618 "ubiquitin-conjugating enzyme E2D 2 (UBC4/5 homolog, yeast) [Xenopus (Silurana) tropicalis]" 100.00 147 100.00 100.00 4.78e-105 EMBL CDQ70075 "unnamed protein product [Oncorhynchus mykiss]" 100.00 148 97.28 98.64 2.35e-102 EMBL CDQ72611 "unnamed protein product [Oncorhynchus mykiss]" 100.00 147 97.96 98.64 4.87e-103 GB AAA85100 "ubiquitin conjugating enzyme [Rattus norvegicus]" 100.00 147 97.28 100.00 2.68e-102 GB AAA85101 "ubiquitin conjugating enzyme [Rattus norvegicus]" 100.00 147 100.00 100.00 4.78e-105 GB AAA85102 "ubiquitin conjugating enzyme [Rattus norvegicus]" 100.00 147 97.28 100.00 2.68e-102 GB AAA91460 "UbcH5B [Homo sapiens]" 100.00 147 100.00 100.00 4.78e-105 GB AAA91461 "UbcH5C [Homo sapiens]" 100.00 147 97.28 100.00 2.68e-102 PRF 2111484A "ubiquitin-conjugating enzyme" 100.00 147 99.32 100.00 1.76e-104 REF NP_001016064 "ubiquitin-conjugating enzyme E2D 3 [Xenopus (Silurana) tropicalis]" 100.00 147 100.00 100.00 4.78e-105 REF NP_001026324 "ubiquitin-conjugating enzyme E2 D3 [Gallus gallus]" 100.00 147 97.28 100.00 2.68e-102 REF NP_001032369 "ubiquitin-conjugating enzyme E2 D2 [Rattus norvegicus]" 100.00 147 100.00 100.00 4.78e-105 REF NP_001039961 "ubiquitin-conjugating enzyme E2 D2 [Bos taurus]" 100.00 147 100.00 100.00 4.78e-105 REF NP_001072141 "ubiquitin-conjugating enzyme E2 D2 [Sus scrofa]" 100.00 147 98.64 100.00 6.04e-104 SP P61077 "RecName: Full=Ubiquitin-conjugating enzyme E2 D3; AltName: Full=Ubiquitin carrier protein D3; AltName: Full=Ubiquitin-conjugati" 100.00 147 97.28 100.00 2.68e-102 SP P61078 "RecName: Full=Ubiquitin-conjugating enzyme E2 D3; AltName: Full=Phosphoarginine phosphatase; Short=PAPase; AltName: Full=Ubiqui" 100.00 147 97.28 100.00 2.68e-102 SP P61079 "RecName: Full=Ubiquitin-conjugating enzyme E2 D3; AltName: Full=Ubiquitin carrier protein D3; AltName: Full=Ubiquitin-conjugati" 100.00 147 97.28 100.00 2.68e-102 SP P62837 "RecName: Full=Ubiquitin-conjugating enzyme E2 D2; AltName: Full=Ubiquitin carrier protein D2; AltName: Full=Ubiquitin-conjugati" 100.00 147 100.00 100.00 4.78e-105 SP P62838 "RecName: Full=Ubiquitin-conjugating enzyme E2 D2; AltName: Full=Ubiquitin carrier protein D2; AltName: Full=Ubiquitin-conjugati" 100.00 147 100.00 100.00 4.78e-105 TPG DAA27344 "TPA: ubiquitin-conjugating enzyme E2 D2 [Bos taurus]" 100.00 147 100.00 100.00 4.78e-105 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $monomeric_polymer 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 $monomeric_polymer 'recombinant technology' 'E. coli' Escherichia coli BL21(DE3) pGEX2T stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $monomeric_polymer 0.3 mM '[U-15N; U-13C]' KCl 150 mM . Kpi 20 mM . ZnCl2 0.01 mM . stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _Saveframe_category NMR_spectrometer _Manufacturer unknown _Model unknown _Field_strength 0 _Details 'spectrometer information not available' save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample save_ save_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label $sample save_ save_HcCH-TOSCY_3 _Saveframe_category NMR_applied_experiment _Experiment_name HcCH-TOSCY _Sample_label $sample save_ save_hCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name hCCH-TOCSY _Sample_label $sample save_ save_1H15N_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_TOCSY _Sample_label $sample save_ save_1H15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_NOESY _Sample_label $sample save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HcCH-TOSCY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name hCCH-TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 0 M pH 7 0 pH temperature 300 0 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio_citation_label _Correction_value_citation_label UbcH5B C 13 'aliphatic carbons' ppm 41.3 external indirect . . . $entry_citation $entry_citation UbcH5B H 1 protons ppm 4.77 external indirect . . . $entry_citation $entry_citation UbcH5B N 15 nitrogen ppm 117.5 external indirect . . . $entry_citation $entry_citation stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name UbcH5B _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 . 1 MET CA C 58.526 0.2 1 2 . 1 MET HA H 4.341 0.02 1 3 . 1 MET CB C 32.391 0.2 1 4 . 1 MET HB3 H 2.349 0.02 1 5 . 1 MET HB2 H 2.349 0.02 1 6 . 1 MET CG C 32.43 0.2 1 7 . 1 MET HG3 H 2.738 0.02 2 8 . 1 MET HG2 H 2.837 0.02 2 9 . 1 MET C C 178.784 0.2 1 10 . 2 ALA N N 124.735 0.2 1 11 . 2 ALA H H 8.534 0.02 1 12 . 2 ALA CA C 56.038 0.2 1 13 . 2 ALA HA H 4.335 0.02 1 14 . 2 ALA CB C 19.663 0.2 1 15 . 2 ALA HB H 1.898 0.02 1 16 . 2 ALA C C 179.642 0.2 1 17 . 3 LEU N N 117.133 0.2 1 18 . 3 LEU H H 8.362 0.02 1 19 . 3 LEU CA C 58.034 0.2 1 20 . 3 LEU HA H 3.784 0.02 1 21 . 3 LEU CB C 42.419 0.2 1 22 . 3 LEU HB3 H 1.801 0.02 2 23 . 3 LEU HB2 H 1.928 0.02 2 24 . 3 LEU CG C 32.796 0.2 1 25 . 3 LEU HG H 1.953 0.02 1 26 . 3 LEU CD1 C 29.136 0.2 2 27 . 3 LEU HD1 H 1.026 0.02 2 28 . 3 LEU CD2 C 24.084 0.2 2 29 . 3 LEU HD2 H 0.937 0.02 2 30 . 3 LEU C C 178.69 0.2 1 31 . 4 LYS N N 118.221 0.2 1 32 . 4 LYS H H 7.851 0.02 1 33 . 4 LYS CA C 59.901 0.2 1 34 . 4 LYS HA H 4.14 0.02 1 35 . 4 LYS CB C 32.549 0.2 1 36 . 4 LYS HB3 H 2.027 0.02 1 37 . 4 LYS HB2 H 2.027 0.02 1 38 . 4 LYS CG C 25.243 0.2 1 39 . 4 LYS HG3 H 1.541 0.02 1 40 . 4 LYS HG2 H 1.541 0.02 1 41 . 4 LYS CD C 29.117 0.2 1 42 . 4 LYS HD3 H 1.807 0.02 1 43 . 4 LYS HD2 H 1.807 0.02 1 44 . 4 LYS CE C 36.414 0.2 1 45 . 4 LYS HE3 H 3.093 0.02 1 46 . 4 LYS HE2 H 3.093 0.02 1 47 . 4 LYS C C 179.697 0.2 1 48 . 5 ARG N N 120.846 0.2 1 49 . 5 ARG H H 7.79 0.02 1 50 . 5 ARG CA C 57.707 0.2 1 51 . 5 ARG HA H 4.377 0.02 1 52 . 5 ARG CB C 28.809 0.2 1 53 . 5 ARG HB3 H 2.106 0.02 2 54 . 5 ARG HB2 H 2.272 0.02 2 55 . 5 ARG HG3 H 1.695 0.02 1 56 . 5 ARG HG2 H 1.695 0.02 1 57 . 5 ARG C C 177.539 0.2 1 58 . 6 ILE N N 122.602 0.2 1 59 . 6 ILE H H 8.886 0.02 1 60 . 6 ILE CA C 66.899 0.2 1 61 . 6 ILE HA H 3.274 0.02 1 62 . 6 ILE CB C 38.345 0.2 1 63 . 6 ILE HB H 1.313 0.02 1 64 . 6 ILE CG1 C 29.86 0.2 1 65 . 6 ILE HG13 H 1.431 0.02 1 66 . 6 ILE HG12 H 1.431 0.02 1 67 . 6 ILE HD1 H -0.367 0.02 1 68 . 6 ILE CG2 C 18.213 0.2 1 69 . 6 ILE HG2 H 0.579 0.02 1 70 . 6 ILE C C 178.219 0.2 1 71 . 7 HIS N N 117.659 0.2 1 72 . 7 HIS H H 8.54 0.02 1 73 . 7 HIS CA C 60.722 0.2 1 74 . 7 HIS HA H 4.213 0.02 1 75 . 7 HIS CB C 30.151 0.2 1 76 . 7 HIS HB3 H 3.142 0.02 2 77 . 7 HIS HB2 H 3.285 0.02 2 78 . 7 HIS C C 178.396 0.2 1 79 . 8 LYS N N 121.391 0.2 1 80 . 8 LYS H H 7.839 0.02 1 81 . 8 LYS CA C 59.851 0.2 1 82 . 8 LYS HA H 4.211 0.02 1 83 . 8 LYS CB C 32.471 0.2 1 84 . 8 LYS HB3 H 2.286 0.02 1 85 . 8 LYS HB2 H 2.286 0.02 1 86 . 8 LYS CG C 25.213 0.2 1 87 . 8 LYS HG3 H 2.139 0.02 1 88 . 8 LYS HG2 H 2.139 0.02 1 89 . 8 LYS CD C 25.216 0.2 1 90 . 8 LYS HD3 H 1.639 0.02 1 91 . 8 LYS HD2 H 1.639 0.02 1 92 . 8 LYS CE C 42.511 0.2 1 93 . 8 LYS HE3 H 3.1 0.02 1 94 . 8 LYS HE2 H 3.1 0.02 1 95 . 8 LYS C C 178.873 0.2 1 96 . 9 GLU N N 119.355 0.2 1 97 . 9 GLU H H 8.684 0.02 1 98 . 9 GLU CA C 60.605 0.2 1 99 . 9 GLU HA H 4.266 0.02 1 100 . 9 GLU CB C 29.427 0.2 1 101 . 9 GLU HB3 H 2.376 0.02 1 102 . 9 GLU HB2 H 2.376 0.02 1 103 . 9 GLU C C 180.021 0.2 1 104 . 10 LEU N N 120.577 0.2 1 105 . 10 LEU H H 8.691 0.02 1 106 . 10 LEU CA C 58.29 0.2 1 107 . 10 LEU HA H 4.252 0.02 1 108 . 10 LEU CB C 41.77 0.2 1 109 . 10 LEU HB3 H 1.837 0.02 2 110 . 10 LEU HB2 H 2.078 0.02 2 111 . 10 LEU CG C 26.928 0.2 1 112 . 10 LEU HG H 1.65 0.02 1 113 . 10 LEU CD1 C 25.928 0.2 2 114 . 10 LEU HD1 H 0.666 0.02 2 115 . 10 LEU CD2 C 23.694 0.2 2 116 . 10 LEU HD2 H 0.587 0.02 2 117 . 10 LEU C C 180.31 0.2 1 118 . 11 ASN N N 118.703 0.2 1 119 . 11 ASN H H 8.177 0.02 1 120 . 11 ASN CA C 56.479 0.2 1 121 . 11 ASN HA H 4.322 0.02 1 122 . 11 ASN CB C 38.692 0.2 1 123 . 11 ASN HB3 H 2.353 0.02 2 124 . 11 ASN HB2 H 3.787 0.02 2 125 . 11 ASN ND2 N 111.563 0.2 1 126 . 11 ASN HD21 H 7.418 0.02 2 127 . 11 ASN HD22 H 6.757 0.02 2 128 . 11 ASN C C 178.261 0.2 1 129 . 12 ASP N N 121.582 0.2 1 130 . 12 ASP H H 8.732 0.02 1 131 . 12 ASP CA C 57.66 0.2 1 132 . 12 ASP HA H 4.496 0.02 1 133 . 12 ASP CB C 40.409 0.2 1 134 . 12 ASP HB3 H 2.888 0.02 2 135 . 12 ASP HB2 H 3.008 0.02 2 136 . 12 ASP C C 178.772 0.2 1 137 . 13 LEU N N 122.07 0.2 1 138 . 13 LEU H H 8.276 0.02 1 139 . 13 LEU CA C 58.033 0.2 1 140 . 13 LEU HA H 4.061 0.02 1 141 . 13 LEU CB C 42.407 0.2 1 142 . 13 LEU HB3 H 1.812 0.02 2 143 . 13 LEU HB2 H 2.036 0.02 2 144 . 13 LEU CG C 27.312 0.2 1 145 . 13 LEU HG H 1.822 0.02 1 146 . 13 LEU CD1 C 26.149 0.2 2 147 . 13 LEU HD1 H 1.14 0.02 2 148 . 13 LEU CD2 C 25.289 0.2 2 149 . 13 LEU HD2 H 1.036 0.02 2 150 . 13 LEU C C 178.13 0.2 1 151 . 14 ALA N N 118.435 0.2 1 152 . 14 ALA H H 7.843 0.02 1 153 . 14 ALA CA C 53.871 0.2 1 154 . 14 ALA HA H 4.181 0.02 1 155 . 14 ALA CB C 18.355 0.2 1 156 . 14 ALA HB H 1.566 0.02 1 157 . 14 ALA C C 179.703 0.2 1 158 . 15 ARG N N 116.153 0.2 1 159 . 15 ARG H H 7.548 0.02 1 160 . 15 ARG CA C 57.69 0.2 1 161 . 15 ARG HA H 4.239 0.02 1 162 . 15 ARG CB C 31.21 0.2 1 163 . 15 ARG HB3 H 1.959 0.02 2 164 . 15 ARG HB2 H 1.967 0.02 2 165 . 15 ARG CG C 27.514 0.2 1 166 . 15 ARG HG3 H 1.757 0.02 2 167 . 15 ARG HG2 H 1.814 0.02 2 168 . 15 ARG CD C 43.419 0.2 1 169 . 15 ARG HD3 H 3.309 0.02 1 170 . 15 ARG HD2 H 3.309 0.02 1 171 . 15 ARG C C 176.401 0.2 1 172 . 16 ASP N N 117.031 0.2 1 173 . 16 ASP H H 7.773 0.02 1 174 . 16 ASP CA C 51.871 0.2 1 175 . 16 ASP HA H 5.088 0.02 1 176 . 16 ASP CB C 41.43 0.2 1 177 . 16 ASP HB3 H 2.442 0.02 2 178 . 16 ASP HB2 H 2.778 0.02 2 179 . 18 PRO CA C 62.055 0.2 1 180 . 18 PRO CB C 31.385 0.2 1 181 . 18 PRO C C 176.403 0.2 1 182 . 19 ALA N N 125.573 0.2 1 183 . 19 ALA H H 8.533 0.02 1 184 . 19 ALA CA C 53.916 0.2 1 185 . 19 ALA HA H 4.208 0.02 1 186 . 19 ALA CB C 18.633 0.2 1 187 . 19 ALA HB H 1.486 0.02 1 188 . 19 ALA C C 178.247 0.2 1 189 . 20 GLN N N 112.727 0.2 1 190 . 20 GLN H H 8.615 0.02 1 191 . 20 GLN CA C 57.571 0.2 1 192 . 20 GLN HA H 4.113 0.02 1 193 . 20 GLN CB C 28.36 0.2 1 194 . 20 GLN HB3 H 2.432 0.02 2 195 . 20 GLN HB2 H 2.598 0.02 2 196 . 20 GLN CG C 35.262 0.2 1 197 . 20 GLN HG3 H 2.45 0.02 2 198 . 20 GLN HG2 H 2.346 0.02 2 199 . 20 GLN NE2 N 111.228 0.2 1 200 . 20 GLN HE21 H 7.419 0.02 2 201 . 20 GLN HE22 H 6.833 0.02 2 202 . 20 GLN C C 174.96 0.2 1 203 . 21 CYS N N 114.335 0.2 1 204 . 21 CYS H H 7.69 0.02 1 205 . 21 CYS CA C 57.242 0.2 1 206 . 21 CYS HA H 5.494 0.02 1 207 . 21 CYS CB C 31.782 0.2 1 208 . 21 CYS HB3 H 2.704 0.02 2 209 . 21 CYS HB2 H 2.859 0.02 2 210 . 21 CYS C C 173.277 0.2 1 211 . 22 SER N N 114.583 0.2 1 212 . 22 SER H H 8.598 0.02 1 213 . 22 SER CA C 57.371 0.2 1 214 . 22 SER HA H 4.674 0.02 1 215 . 22 SER CB C 65.632 0.2 1 216 . 22 SER HB3 H 3.764 0.02 1 217 . 22 SER HB2 H 3.764 0.02 1 218 . 22 SER C C 172.577 0.2 1 219 . 23 ALA N N 121.985 0.2 1 220 . 23 ALA H H 8.398 0.02 1 221 . 23 ALA CA C 52.338 0.2 1 222 . 23 ALA HA H 5.374 0.02 1 223 . 23 ALA CB C 23.271 0.2 1 224 . 23 ALA HB H 1.569 0.02 1 225 . 23 ALA C C 174.782 0.2 1 226 . 24 GLY N N 104.422 0.2 1 227 . 24 GLY H H 8.142 0.02 1 228 . 24 GLY CA C 45.157 0.2 1 229 . 24 GLY HA3 H 2.591 0.02 2 230 . 24 GLY HA2 H 3.752 0.02 2 231 . 25 PRO CA C 62.632 0.2 1 232 . 25 PRO CB C 32.517 0.2 1 233 . 25 PRO C C 176.597 0.2 1 234 . 26 VAL N N 122.968 0.2 1 235 . 26 VAL H H 8.569 0.02 1 236 . 26 VAL CA C 62.613 0.2 1 237 . 26 VAL HA H 3.946 0.02 1 238 . 26 VAL CB C 31.715 0.2 1 239 . 26 VAL HB H 1.836 0.02 1 240 . 26 VAL CG2 C 21.096 0.2 1 241 . 26 VAL HG2 H 0.644 0.02 2 242 . 26 VAL CG1 C 21.096 0.2 1 243 . 26 VAL HG1 H 0.845 0.02 2 244 . 26 VAL C C 176.733 0.2 1 245 . 27 GLY N N 116.15 0.2 1 246 . 27 GLY H H 8.762 0.02 1 247 . 27 GLY CA C 46.5 0.2 1 248 . 27 GLY HA3 H 3.834 0.02 1 249 . 27 GLY HA2 H 3.834 0.02 1 250 . 27 GLY C C 174.05 0.2 1 251 . 28 ASP N N 123.289 0.2 1 252 . 28 ASP H H 8.573 0.02 1 253 . 28 ASP CA C 54.222 0.2 1 254 . 28 ASP HA H 4.592 0.02 1 255 . 28 ASP CB C 40.942 0.2 1 256 . 28 ASP HB3 H 2.753 0.02 2 257 . 28 ASP HB2 H 2.828 0.02 2 258 . 28 ASP C C 175.263 0.2 1 259 . 29 ASP N N 119.896 0.2 1 260 . 29 ASP H H 7.958 0.02 1 261 . 29 ASP CA C 52.972 0.2 1 262 . 29 ASP HA H 4.909 0.02 1 263 . 29 ASP CB C 41.417 0.2 1 264 . 29 ASP HB3 H 2.759 0.02 2 265 . 29 ASP HB2 H 3.504 0.02 2 266 . 29 ASP C C 176.316 0.2 1 267 . 30 MET N N 122.319 0.2 1 268 . 30 MET H H 8.688 0.02 1 269 . 30 MET CA C 55.711 0.2 1 270 . 30 MET HA H 4.401 0.02 1 271 . 30 MET CB C 31.529 0.2 1 272 . 30 MET HB3 H 1.663 0.02 2 273 . 30 MET HB2 H 1.878 0.02 2 274 . 30 MET HG3 H 2.547 0.02 2 275 . 30 MET HG2 H 2.634 0.02 2 276 . 30 MET C C 175.784 0.2 1 277 . 31 PHE N N 112.06 0.2 1 278 . 31 PHE H H 8.468 0.02 1 279 . 31 PHE CA C 59.546 0.2 1 280 . 31 PHE HA H 4.417 0.02 1 281 . 31 PHE CB C 38.442 0.2 1 282 . 31 PHE HB3 H 3.193 0.02 2 283 . 31 PHE HB2 H 3.583 0.02 2 284 . 31 PHE HD1 H 7.391 0.02 1 285 . 31 PHE HE1 H 7.118 0.02 3 286 . 31 PHE HZ H 7.425 0.02 1 287 . 31 PHE HE2 H 7.115 0.02 3 288 . 31 PHE HD2 H 7.391 0.02 1 289 . 31 PHE C C 175.322 0.2 1 290 . 32 HIS N N 121.291 0.2 1 291 . 32 HIS H H 7.927 0.02 1 292 . 32 HIS CA C 54.297 0.2 1 293 . 32 HIS HA H 5.574 0.02 1 294 . 32 HIS CB C 31.772 0.2 1 295 . 32 HIS HB3 H 3.048 0.02 2 296 . 32 HIS HB2 H 3.401 0.02 2 297 . 32 HIS C C 172.482 0.2 1 298 . 33 TRP N N 124.315 0.2 1 299 . 33 TRP H H 9.775 0.02 1 300 . 33 TRP CA C 54.267 0.2 1 301 . 33 TRP HA H 5.629 0.02 1 302 . 33 TRP CB C 33.662 0.2 1 303 . 33 TRP HB3 H 3.01 0.02 2 304 . 33 TRP HB2 H 3.163 0.02 2 305 . 33 TRP HD1 H 6.866 0.02 1 306 . 33 TRP NE1 N 128.453 0.2 1 307 . 33 TRP HE1 H 9.326 0.02 1 308 . 33 TRP HZ2 H 7.241 0.02 1 309 . 33 TRP HH2 H 6.865 0.02 1 310 . 33 TRP C C 175.864 0.2 1 311 . 34 GLN N N 119.16 0.2 1 312 . 34 GLN H H 8.789 0.02 1 313 . 34 GLN CA C 53.975 0.2 1 314 . 34 GLN HA H 5.259 0.02 1 315 . 34 GLN CB C 32.409 0.2 1 316 . 34 GLN HB3 H 2.054 0.02 2 317 . 34 GLN HB2 H 2.095 0.02 2 318 . 34 GLN CG C 34.172 0.2 1 319 . 34 GLN HG3 H 2.369 0.02 2 320 . 34 GLN HG2 H 2.438 0.02 2 321 . 34 GLN NE2 N 111.278 0.2 1 322 . 34 GLN HE21 H 7.434 0.02 2 323 . 34 GLN HE22 H 6.799 0.02 2 324 . 34 GLN C C 174.281 0.2 1 325 . 35 ALA N N 124.568 0.2 1 326 . 35 ALA H H 8.839 0.02 1 327 . 35 ALA CA C 50.511 0.2 1 328 . 35 ALA HA H 5.539 0.02 1 329 . 35 ALA CB C 24.067 0.2 1 330 . 35 ALA HB H 1.398 0.02 1 331 . 35 ALA C C 175.531 0.2 1 332 . 36 THR N N 113.378 0.2 1 333 . 36 THR H H 8.907 0.02 1 334 . 36 THR CA C 60.378 0.2 1 335 . 36 THR HA H 5.119 0.02 1 336 . 36 THR CB C 71.536 0.2 1 337 . 36 THR HB H 3.684 0.02 1 338 . 36 THR HG2 H 0.609 0.02 1 339 . 36 THR C C 173.872 0.2 1 340 . 37 ILE N N 122.176 0.2 1 341 . 37 ILE H H 9.153 0.02 1 342 . 37 ILE CA C 60.1 0.2 1 343 . 37 ILE HA H 4.734 0.02 1 344 . 37 ILE CB C 42.469 0.2 1 345 . 37 ILE HB H 1.652 0.02 1 346 . 37 ILE CG1 C 27.183 0.2 1 347 . 37 ILE HG13 H 1.051 0.02 1 348 . 37 ILE HG12 H 1.439 0.02 1 349 . 37 ILE CD1 C 14.57 0.2 1 350 . 37 ILE HD1 H 0.735 0.02 1 351 . 37 ILE CG2 C 17.502 0.2 1 352 . 37 ILE HG2 H 0.852 0.02 1 353 . 37 ILE C C 175.56 0.2 1 354 . 38 MET N N 125.163 0.2 1 355 . 38 MET H H 8.328 0.02 1 356 . 38 MET CA C 54.191 0.2 1 357 . 38 MET HA H 5.098 0.02 1 358 . 38 MET CB C 32.865 0.2 1 359 . 38 MET HB3 H 2.016 0.02 2 360 . 38 MET HB2 H 2.206 0.02 2 361 . 38 MET CG C 32.424 0.2 1 362 . 38 MET HG3 H 2.614 0.02 2 363 . 38 MET HG2 H 2.697 0.02 2 364 . 38 MET C C 176.977 0.2 1 365 . 39 GLY N N 110.402 0.2 1 366 . 39 GLY H H 9.239 0.02 1 367 . 39 GLY CA C 44.312 0.2 1 368 . 39 GLY HA3 H 3.914 0.02 2 369 . 39 GLY HA2 H 4.055 0.02 2 370 . 40 PRO CA C 63.452 0.2 1 371 . 40 PRO CB C 32.786 0.2 1 372 . 40 PRO C C 177.894 0.2 1 373 . 41 ASN N N 122.849 0.2 1 374 . 41 ASN H H 8.998 0.02 1 375 . 41 ASN CA C 55.208 0.2 1 376 . 41 ASN HA H 4.46 0.02 1 377 . 41 ASN CB C 38.565 0.2 1 378 . 41 ASN HB3 H 2.807 0.02 1 379 . 41 ASN HB2 H 2.807 0.02 1 380 . 41 ASN ND2 N 113.075 0.2 1 381 . 41 ASN HD21 H 7.683 0.02 2 382 . 41 ASN HD22 H 7.012 0.02 2 383 . 41 ASN C C 175.435 0.2 1 384 . 42 ASP N N 116.866 0.2 1 385 . 42 ASP H H 8.889 0.02 1 386 . 42 ASP CA C 55.085 0.2 1 387 . 42 ASP HA H 4.599 0.02 1 388 . 42 ASP CB C 39.034 0.2 1 389 . 42 ASP HB3 H 2.857 0.02 2 390 . 42 ASP HB2 H 2.954 0.02 2 391 . 42 ASP C C 174.069 0.2 1 392 . 43 SER N N 114.625 0.2 1 393 . 43 SER H H 7.913 0.02 1 394 . 43 SER CA C 57.088 0.2 1 395 . 43 SER HA H 5.247 0.02 1 396 . 43 SER CB C 66.193 0.2 1 397 . 43 SER HB3 H 3.977 0.02 2 398 . 43 SER HB2 H 4.485 0.02 2 399 . 44 PRO CA C 63.846 0.2 1 400 . 44 PRO CB C 32.235 0.2 1 401 . 44 PRO C C 174.726 0.2 1 402 . 45 TYR N N 116.975 0.2 1 403 . 45 TYR H H 7.385 0.02 1 404 . 45 TYR CA C 55.772 0.2 1 405 . 45 TYR HA H 5.383 0.02 1 406 . 45 TYR CB C 38.388 0.2 1 407 . 45 TYR HB3 H 2.471 0.02 2 408 . 45 TYR HB2 H 3.833 0.02 2 409 . 45 TYR HD1 H 7.276 0.02 1 410 . 45 TYR HE1 H 6.702 0.02 1 411 . 45 TYR HE2 H 6.702 0.02 1 412 . 45 TYR HD2 H 7.276 0.02 1 413 . 45 TYR C C 175.424 0.2 1 414 . 46 GLN N N 121.631 0.2 1 415 . 46 GLN H H 7.303 0.02 1 416 . 46 GLN CA C 58.022 0.2 1 417 . 46 GLN HA H 3.77 0.02 1 418 . 46 GLN CB C 28.903 0.2 1 419 . 46 GLN HB3 H 2.178 0.02 1 420 . 46 GLN HB2 H 2.178 0.02 1 421 . 46 GLN CG C 33.425 0.2 1 422 . 46 GLN HG3 H 2.456 0.02 2 423 . 46 GLN HG2 H 2.558 0.02 2 424 . 46 GLN NE2 N 112.237 0.2 1 425 . 46 GLN HE21 H 7.586 0.02 2 426 . 46 GLN HE22 H 6.952 0.02 2 427 . 46 GLN C C 176.313 0.2 1 428 . 47 GLY N N 116.586 0.2 1 429 . 47 GLY H H 9.255 0.02 1 430 . 47 GLY CA C 45.225 0.2 1 431 . 47 GLY HA3 H 3.7 0.02 2 432 . 47 GLY HA2 H 4.391 0.02 2 433 . 47 GLY C C 174.114 0.2 1 434 . 48 GLY N N 106.839 0.2 1 435 . 48 GLY H H 8.516 0.02 1 436 . 48 GLY CA C 44.924 0.2 1 437 . 48 GLY HA3 H 3.346 0.02 2 438 . 48 GLY HA2 H 4.315 0.02 2 439 . 48 GLY C C 172.858 0.2 1 440 . 49 VAL N N 125.146 0.2 1 441 . 49 VAL H H 8.844 0.02 1 442 . 49 VAL CA C 62.613 0.2 1 443 . 49 VAL HA H 4.376 0.02 1 444 . 49 VAL CB C 33.316 0.2 1 445 . 49 VAL HB H 1.817 0.02 1 446 . 49 VAL CG2 C 21.393 0.2 1 447 . 49 VAL HG2 H 0.572 0.02 2 448 . 49 VAL CG1 C 21.393 0.2 1 449 . 49 VAL HG1 H 0.906 0.02 2 450 . 49 VAL C C 173.281 0.2 1 451 . 50 PHE N N 123.911 0.2 1 452 . 50 PHE H H 8.76 0.02 1 453 . 50 PHE CA C 56.475 0.2 1 454 . 50 PHE HA H 4.743 0.02 1 455 . 50 PHE CB C 41.504 0.2 1 456 . 50 PHE HB3 H 2.9 0.02 2 457 . 50 PHE HB2 H 3.011 0.02 2 458 . 50 PHE HD1 H 7.177 0.02 3 459 . 50 PHE HE1 H 7.64 0.02 1 460 . 50 PHE HZ H 7.545 0.02 1 461 . 50 PHE HE2 H 7.64 0.02 1 462 . 50 PHE HD2 H 7.178 0.02 3 463 . 50 PHE C C 174.128 0.2 1 464 . 51 PHE N N 121.143 0.2 1 465 . 51 PHE H H 9.299 0.02 1 466 . 51 PHE CA C 57.067 0.2 1 467 . 51 PHE HA H 5.348 0.02 1 468 . 51 PHE CB C 40.728 0.2 1 469 . 51 PHE HB3 H 3.088 0.02 1 470 . 51 PHE HB2 H 3.088 0.02 1 471 . 51 PHE HD1 H 7.238 0.02 1 472 . 51 PHE HE1 H 7.267 0.02 1 473 . 51 PHE HZ H 7.237 0.02 1 474 . 51 PHE HE2 H 7.267 0.02 1 475 . 51 PHE HD2 H 7.238 0.02 1 476 . 51 PHE C C 175.993 0.2 1 477 . 52 LEU N N 120.637 0.2 1 478 . 52 LEU H H 9.165 0.02 1 479 . 52 LEU CA C 54.653 0.2 1 480 . 52 LEU HA H 5.381 0.02 1 481 . 52 LEU CB C 45.998 0.2 1 482 . 52 LEU HB3 H 1.133 0.02 2 483 . 52 LEU HB2 H 1.402 0.02 2 484 . 52 LEU CG C 26.598 0.2 1 485 . 52 LEU HG H 1.036 0.02 1 486 . 52 LEU CD1 C 25.079 0.2 1 487 . 52 LEU HD1 H 0.285 0.02 2 488 . 52 LEU CD2 C 25.079 0.2 1 489 . 52 LEU HD2 H 0.006 0.02 2 490 . 52 LEU C C 176.858 0.2 1 491 . 53 THR N N 114.692 0.2 1 492 . 53 THR H H 9.273 0.02 1 493 . 53 THR CA C 60.499 0.2 1 494 . 53 THR HA H 4.972 0.02 1 495 . 53 THR CB C 71.405 0.2 1 496 . 53 THR HB H 4.131 0.02 1 497 . 53 THR HG2 H 1.307 0.02 1 498 . 53 THR C C 173.204 0.2 1 499 . 54 ILE N N 123.186 0.2 1 500 . 54 ILE H H 8.394 0.02 1 501 . 54 ILE CA C 60.044 0.2 1 502 . 54 ILE HA H 4.672 0.02 1 503 . 54 ILE CB C 41.75 0.2 1 504 . 54 ILE HB H 1.318 0.02 1 505 . 54 ILE HG13 H 0.658 0.02 1 506 . 54 ILE HG12 H 0.658 0.02 1 507 . 54 ILE CD1 C 14.593 0.2 1 508 . 54 ILE HD1 H -0.293 0.02 1 509 . 54 ILE CG2 C 17.407 0.2 1 510 . 54 ILE C C 173.909 0.2 1 511 . 55 HIS N N 126.073 0.2 1 512 . 55 HIS H H 9.034 0.02 1 513 . 55 HIS CA C 53.936 0.2 1 514 . 55 HIS HA H 5.489 0.02 1 515 . 55 HIS CB C 32.6 0.2 1 516 . 55 HIS HB3 H 2.893 0.02 2 517 . 55 HIS HB2 H 3.089 0.02 2 518 . 55 HIS HD2 H 6.93 0.02 1 519 . 55 HIS HE1 H 8.307 0.02 1 520 . 55 HIS C C 175.585 0.2 1 521 . 56 PHE N N 126.988 0.2 1 522 . 56 PHE H H 9.234 0.02 1 523 . 56 PHE CA C 56.383 0.2 1 524 . 56 PHE HA H 4.302 0.02 1 525 . 56 PHE CB C 40.246 0.2 1 526 . 56 PHE HB3 H 2.44 0.02 2 527 . 56 PHE HB2 H 2.807 0.02 2 528 . 56 PHE HD1 H 7.39 0.02 1 529 . 56 PHE HE1 H 7.308 0.02 1 530 . 56 PHE HE2 H 7.308 0.02 1 531 . 56 PHE HD2 H 7.39 0.02 1 532 . 57 PRO CA C 62.075 0.2 1 533 . 57 PRO CB C 32.106 0.2 1 534 . 57 PRO C C 176.933 0.2 1 535 . 58 THR N N 110.427 0.2 1 536 . 58 THR H H 8.493 0.02 1 537 . 58 THR CA C 64.83 0.2 1 538 . 58 THR HA H 3.984 0.02 1 539 . 58 THR CB C 68.717 0.2 1 540 . 58 THR HG2 H 1.105 0.02 1 541 . 58 THR C C 173.643 0.2 1 542 . 59 ASP N N 113.431 0.2 1 543 . 59 ASP H H 8.213 0.02 1 544 . 59 ASP CA C 52.146 0.2 1 545 . 59 ASP HA H 4.976 0.02 1 546 . 59 ASP CB C 39.038 0.2 1 547 . 59 ASP HB3 H 2.61 0.02 2 548 . 59 ASP HB2 H 2.995 0.02 2 549 . 59 ASP C C 176.306 0.2 1 550 . 60 TYR N N 123.426 0.2 1 551 . 60 TYR H H 7.645 0.02 1 552 . 60 TYR CA C 58.264 0.2 1 553 . 60 TYR HA H 4.638 0.02 1 554 . 60 TYR CB C 39.942 0.2 1 555 . 60 TYR HB3 H 2.821 0.02 2 556 . 60 TYR HB2 H 3.495 0.02 2 557 . 61 PRO CA C 63.65 0.2 1 558 . 61 PRO CB C 32.865 0.2 1 559 . 61 PRO C C 174.988 0.2 1 560 . 62 PHE N N 124.73 0.2 1 561 . 62 PHE H H 9.089 0.02 1 562 . 62 PHE CA C 60.845 0.2 1 563 . 62 PHE HA H 4.4 0.02 1 564 . 62 PHE CB C 38.083 0.2 1 565 . 62 PHE HB3 H 3.223 0.02 2 566 . 62 PHE HB2 H 3.422 0.02 2 567 . 62 PHE HD1 H 7.4 0.02 1 568 . 62 PHE HE1 H 7.709 0.02 1 569 . 62 PHE HZ H 7.597 0.02 1 570 . 62 PHE HE2 H 7.709 0.02 1 571 . 62 PHE HD2 H 7.4 0.02 1 572 . 62 PHE C C 175.454 0.2 1 573 . 63 LYS N N 118.623 0.2 1 574 . 63 LYS H H 7.088 0.02 1 575 . 63 LYS CA C 52.167 0.2 1 576 . 63 LYS HA H 4.473 0.02 1 577 . 63 LYS CB C 34.912 0.2 1 578 . 63 LYS HB3 H 1.361 0.02 2 579 . 63 LYS HB2 H 1.791 0.02 2 580 . 63 LYS CG C 25.625 0.2 1 581 . 63 LYS HG3 H 1.372 0.02 2 582 . 63 LYS HG2 H 1.651 0.02 2 583 . 63 LYS CD C 28.714 0.2 1 584 . 63 LYS HD3 H 1.827 0.02 1 585 . 63 LYS HD2 H 1.827 0.02 1 586 . 63 LYS CE C 42.4 0.2 1 587 . 63 LYS HE3 H 3.069 0.02 1 588 . 63 LYS HE2 H 3.069 0.02 1 589 . 65 PRO CA C 61.481 0.2 1 590 . 65 PRO CB C 30.966 0.2 1 591 . 65 PRO C C 174.995 0.2 1 592 . 66 LYS N N 120.72 0.2 1 593 . 66 LYS H H 8.306 0.02 1 594 . 66 LYS CA C 55.178 0.2 1 595 . 66 LYS HA H 4.497 0.02 1 596 . 66 LYS CB C 33.12 0.2 1 597 . 66 LYS HB3 H 1.777 0.02 2 598 . 66 LYS HB2 H 1.833 0.02 2 599 . 66 LYS CG C 24.77 0.2 1 600 . 66 LYS HG3 H 1.338 0.02 2 601 . 66 LYS HG2 H 1.451 0.02 2 602 . 66 LYS CD C 29.148 0.2 1 603 . 66 LYS HD3 H 1.659 0.02 1 604 . 66 LYS HD2 H 1.659 0.02 1 605 . 66 LYS CE C 42.107 0.2 1 606 . 66 LYS HE3 H 2.955 0.02 1 607 . 66 LYS HE2 H 2.955 0.02 1 608 . 66 LYS C C 175.869 0.2 1 609 . 67 VAL N N 127.571 0.2 1 610 . 67 VAL H H 8.753 0.02 1 611 . 67 VAL CA C 60.749 0.2 1 612 . 67 VAL HA H 4.887 0.02 1 613 . 67 VAL CB C 33.96 0.2 1 614 . 67 VAL HB H 1.755 0.02 1 615 . 67 VAL HG2 H 0.58 0.02 2 616 . 67 VAL HG1 H 0.97 0.02 2 617 . 67 VAL C C 173.336 0.2 1 618 . 68 ALA N N 127.314 0.2 1 619 . 68 ALA H H 8.531 0.02 1 620 . 68 ALA CA C 50.89 0.2 1 621 . 68 ALA HA H 5.015 0.02 1 622 . 68 ALA CB C 22.377 0.2 1 623 . 68 ALA HB H 1.293 0.02 1 624 . 68 ALA C C 176.999 0.2 1 625 . 69 PHE N N 122.404 0.2 1 626 . 69 PHE H H 9.816 0.02 1 627 . 69 PHE CA C 59.261 0.2 1 628 . 69 PHE HA H 4.805 0.02 1 629 . 69 PHE CB C 40.274 0.2 1 630 . 69 PHE HB3 H 3.013 0.02 2 631 . 69 PHE HB2 H 3.511 0.02 2 632 . 69 PHE HD1 H 7.296 0.02 1 633 . 69 PHE HE1 H 6.769 0.02 1 634 . 69 PHE HZ H 6.543 0.02 1 635 . 69 PHE HE2 H 6.769 0.02 1 636 . 69 PHE HD2 H 7.296 0.02 1 637 . 69 PHE C C 177.287 0.2 1 638 . 70 THR N N 116.512 0.2 1 639 . 70 THR H H 9.564 0.02 1 640 . 70 THR CA C 63.266 0.2 1 641 . 70 THR HA H 4.498 0.02 1 642 . 70 THR CB C 68.578 0.2 1 643 . 70 THR HB H 4.335 0.02 1 644 . 70 THR HG2 H 1.271 0.02 1 645 . 70 THR C C 175.435 0.2 1 646 . 71 THR N N 121.712 0.2 1 647 . 71 THR H H 7.577 0.02 1 648 . 71 THR CA C 63.701 0.2 1 649 . 71 THR HA H 4.509 0.02 1 650 . 71 THR CB C 71.405 0.2 1 651 . 71 THR HB H 4.24 0.02 1 652 . 71 THR HG2 H 1.165 0.02 1 653 . 71 THR C C 173.817 0.2 1 654 . 72 ARG N N 127.887 0.2 1 655 . 72 ARG H H 8.616 0.02 1 656 . 72 ARG CA C 57.273 0.2 1 657 . 72 ARG HA H 4.192 0.02 1 658 . 72 ARG CB C 30.574 0.2 1 659 . 72 ARG HB3 H 1.239 0.02 2 660 . 72 ARG HB2 H 1.341 0.02 2 661 . 72 ARG CG C 26.933 0.2 1 662 . 72 ARG HG3 H 1.401 0.02 2 663 . 72 ARG HG2 H 1.563 0.02 2 664 . 72 ARG CD C 42.782 0.2 1 665 . 72 ARG HD3 H 2.348 0.02 2 666 . 72 ARG HD2 H 2.519 0.02 2 667 . 72 ARG C C 175.062 0.2 1 668 . 73 ILE N N 120.301 0.2 1 669 . 73 ILE H H 8.389 0.02 1 670 . 73 ILE CA C 60.475 0.2 1 671 . 73 ILE HA H 4.802 0.02 1 672 . 73 ILE CB C 41.144 0.2 1 673 . 73 ILE HB H 1.656 0.02 1 674 . 73 ILE HG13 H 0.445 0.02 1 675 . 73 ILE HG12 H 0.549 0.02 1 676 . 73 ILE HD1 H -0.053 0.02 1 677 . 73 ILE HG2 H 0.242 0.02 1 678 . 73 ILE C C 171.051 0.2 1 679 . 74 TYR N N 131.846 0.2 1 680 . 74 TYR H H 8.716 0.02 1 681 . 74 TYR CA C 57.972 0.2 1 682 . 74 TYR HA H 3.948 0.02 1 683 . 74 TYR CB C 38.072 0.2 1 684 . 74 TYR HB3 H 2.77 0.02 1 685 . 74 TYR HB2 H 2.77 0.02 1 686 . 74 TYR HD1 H 7.45 0.02 3 687 . 74 TYR HE1 H 6.674 0.02 1 688 . 74 TYR HE2 H 6.674 0.02 1 689 . 74 TYR HD2 H 7.449 0.02 3 690 . 74 TYR C C 173.305 0.2 1 691 . 75 HIS N N 129.284 0.2 1 692 . 75 HIS H H 8.496 0.02 1 693 . 75 HIS CA C 55.779 0.2 1 694 . 75 HIS HA H 4.899 0.02 1 695 . 75 HIS CB C 35.661 0.2 1 696 . 75 HIS HB3 H 2.892 0.02 1 697 . 75 HIS HB2 H 2.892 0.02 1 698 . 76 PRO CA C 64.74 0.2 1 699 . 76 PRO CB C 32.374 0.2 1 700 . 76 PRO C C 177.276 0.2 1 701 . 77 ASN N N 118.381 0.2 1 702 . 77 ASN H H 11.534 0.02 1 703 . 77 ASN CA C 54.144 0.2 1 704 . 77 ASN HA H 4.201 0.02 1 705 . 77 ASN CB C 41.592 0.2 1 706 . 77 ASN HB3 H 1.569 0.02 1 707 . 77 ASN HB2 H 1.569 0.02 1 708 . 77 ASN ND2 N 108.919 0.2 1 709 . 77 ASN HD21 H 7.902 0.02 2 710 . 77 ASN HD22 H 6.608 0.02 2 711 . 77 ASN C C 170.981 0.2 1 712 . 78 ILE N N 120.316 0.2 1 713 . 78 ILE H H 7.237 0.02 1 714 . 78 ILE CA C 60.235 0.2 1 715 . 78 ILE HA H 5.267 0.02 1 716 . 78 ILE CB C 42.201 0.2 1 717 . 78 ILE HB H 1.096 0.02 1 718 . 78 ILE CG1 C 27.242 0.2 1 719 . 78 ILE HG13 H 0.549 0.02 1 720 . 78 ILE HG12 H 0.818 0.02 1 721 . 78 ILE HD1 H -0.703 0.02 1 722 . 78 ILE CG2 C 22.919 0.2 1 723 . 78 ILE HG2 H -0.406 0.02 1 724 . 78 ILE C C 174.521 0.2 1 725 . 79 ASN N N 121.595 0.2 1 726 . 79 ASN H H 7.994 0.02 1 727 . 79 ASN CA C 50.666 0.2 1 728 . 79 ASN HA H 4.958 0.02 1 729 . 79 ASN CB C 40.115 0.2 1 730 . 79 ASN HB3 H 2.671 0.02 2 731 . 79 ASN HB2 H 3.661 0.02 2 732 . 79 ASN ND2 N 111.48 0.2 1 733 . 79 ASN HD21 H 7.851 0.02 2 734 . 79 ASN HD22 H 7.425 0.02 2 735 . 80 SER CA C 60.854 0.2 1 736 . 80 SER CB C 63.157 0.2 1 737 . 80 SER C C 175.264 0.2 1 738 . 81 ASN N N 118.142 0.2 1 739 . 81 ASN H H 7.623 0.02 1 740 . 81 ASN CA C 53.248 0.2 1 741 . 81 ASN HA H 4.979 0.02 1 742 . 81 ASN CB C 39.05 0.2 1 743 . 81 ASN HB3 H 2.822 0.02 2 744 . 81 ASN HB2 H 3.039 0.02 2 745 . 81 ASN ND2 N 112.922 0.2 1 746 . 81 ASN HD21 H 7.598 0.02 2 747 . 81 ASN HD22 H 7.005 0.02 2 748 . 81 ASN C C 175.466 0.2 1 749 . 82 GLY N N 109.873 0.2 1 750 . 82 GLY H H 8.455 0.02 1 751 . 82 GLY CA C 46.118 0.2 1 752 . 82 GLY HA3 H 3.809 0.02 2 753 . 82 GLY HA2 H 4.99 0.02 2 754 . 82 GLY C C 174.63 0.2 1 755 . 83 SER N N 115.331 0.2 1 756 . 83 SER H H 7.788 0.02 1 757 . 83 SER CA C 59.2 0.2 1 758 . 83 SER HA H 4.591 0.02 1 759 . 83 SER CB C 63.505 0.2 1 760 . 83 SER HB3 H 3.705 0.02 2 761 . 83 SER HB2 H 3.845 0.02 2 762 . 83 SER C C 172.101 0.2 1 763 . 84 ILE N N 119.766 0.2 1 764 . 84 ILE H H 8.524 0.02 1 765 . 84 ILE CA C 59.671 0.2 1 766 . 84 ILE HA H 4.634 0.02 1 767 . 84 ILE CB C 41.909 0.2 1 768 . 84 ILE HB H 1.647 0.02 1 769 . 84 ILE CG1 C 27.221 0.2 1 770 . 84 ILE HG13 H 0.702 0.02 1 771 . 84 ILE HG12 H 1.566 0.02 1 772 . 84 ILE CD1 C 15.278 0.2 1 773 . 84 ILE HD1 H 0.767 0.02 1 774 . 84 ILE CG2 C 17.495 0.2 1 775 . 84 ILE HG2 H 0.815 0.02 1 776 . 84 ILE C C 175.835 0.2 1 777 . 85 CYS N N 127.656 0.2 1 778 . 85 CYS H H 8.673 0.02 1 779 . 85 CYS CA C 57.643 0.2 1 780 . 85 CYS HA H 4.562 0.02 1 781 . 85 CYS CB C 26.27 0.2 1 782 . 85 CYS HB3 H 2.678 0.02 2 783 . 85 CYS HB2 H 3.01 0.02 2 784 . 85 CYS C C 171.961 0.2 1 785 . 86 LEU N N 126.857 0.2 1 786 . 86 LEU H H 7.316 0.02 1 787 . 86 LEU CA C 53.96 0.2 1 788 . 86 LEU HA H 4.719 0.02 1 789 . 86 LEU CB C 46.122 0.2 1 790 . 86 LEU HB3 H 1.404 0.02 2 791 . 86 LEU HB2 H 1.609 0.02 2 792 . 86 LEU CG C 27.486 0.2 1 793 . 86 LEU HG H 1.612 0.02 1 794 . 86 LEU CD1 C 24.731 0.2 2 795 . 86 LEU HD1 H 0.981 0.02 2 796 . 86 LEU CD2 C 25.897 0.2 2 797 . 86 LEU HD2 H 0.882 0.02 2 798 . 86 LEU C C 176.942 0.2 1 799 . 87 ASP N N 129.419 0.2 1 800 . 87 ASP H H 9.346 0.02 1 801 . 87 ASP CA C 58.704 0.2 1 802 . 87 ASP HA H 4.457 0.02 1 803 . 87 ASP CB C 39.412 0.2 1 804 . 87 ASP HB3 H 2.691 0.02 1 805 . 87 ASP HB2 H 2.691 0.02 1 806 . 87 ASP C C 180.305 0.2 1 807 . 88 ILE N N 116.165 0.2 1 808 . 88 ILE H H 8.46 0.02 1 809 . 88 ILE CA C 64.908 0.2 1 810 . 88 ILE HA H 3.848 0.02 1 811 . 88 ILE CB C 37.954 0.2 1 812 . 88 ILE HB H 2.158 0.02 1 813 . 88 ILE CG1 C 26.874 0.2 1 814 . 88 ILE HG13 H 1.205 0.02 1 815 . 88 ILE HG12 H 1.993 0.02 1 816 . 88 ILE HD1 H 1.052 0.02 1 817 . 88 ILE HG2 H 0.972 0.02 1 818 . 88 ILE C C 173.383 0.2 1 819 . 89 LEU N N 113.499 0.2 1 820 . 89 LEU H H 7.189 0.02 1 821 . 89 LEU CA C 54.172 0.2 1 822 . 89 LEU HA H 4.708 0.02 1 823 . 89 LEU CB C 41.892 0.2 1 824 . 89 LEU HB3 H 1.918 0.02 2 825 . 89 LEU HB2 H 1.959 0.02 2 826 . 89 LEU CG C 27.16 0.2 1 827 . 89 LEU HG H 1.611 0.02 1 828 . 89 LEU CD1 C 25.001 0.2 2 829 . 89 LEU HD1 H 0.906 0.02 2 830 . 89 LEU CD2 C 23.74 0.2 2 831 . 89 LEU HD2 H 1.053 0.02 2 832 . 89 LEU C C 176.822 0.2 1 833 . 90 ARG N N 121.291 0.2 1 834 . 90 ARG H H 7.931 0.02 1 835 . 90 ARG CA C 56.401 0.2 1 836 . 90 ARG HA H 4.647 0.02 1 837 . 90 ARG CB C 31.474 0.2 1 838 . 90 ARG HB3 H 2.147 0.02 1 839 . 90 ARG HB2 H 2.147 0.02 1 840 . 90 ARG HG3 H 1.759 0.02 2 841 . 90 ARG HG2 H 1.715 0.02 2 842 . 90 ARG CD C 43.812 0.2 1 843 . 90 ARG HD3 H 3.288 0.02 1 844 . 90 ARG HD2 H 3.288 0.02 1 845 . 90 ARG C C 176.501 0.2 1 846 . 91 SER N N 117.368 0.2 1 847 . 91 SER H H 8.286 0.02 1 848 . 91 SER CA C 61.106 0.2 1 849 . 91 SER HA H 4.519 0.02 1 850 . 91 SER CB C 63.688 0.2 1 851 . 91 SER HB3 H 4.112 0.02 2 852 . 91 SER HB2 H 4.108 0.02 2 853 . 91 SER C C 175.351 0.2 1 854 . 92 GLN N N 117.635 0.2 1 855 . 92 GLN H H 7.861 0.02 1 856 . 92 GLN CA C 54.537 0.2 1 857 . 92 GLN HA H 4.638 0.02 1 858 . 92 GLN CB C 28.452 0.2 1 859 . 92 GLN HB3 H 1.346 0.02 2 860 . 92 GLN HB2 H 1.331 0.02 2 861 . 92 GLN CG C 33.735 0.2 1 862 . 92 GLN HG3 H 2.316 0.02 2 863 . 92 GLN HG2 H 2.421 0.02 2 864 . 92 GLN NE2 N 112.402 0.2 1 865 . 92 GLN HE21 H 7.45 0.02 2 866 . 92 GLN HE22 H 6.806 0.02 2 867 . 92 GLN C C 174.633 0.2 1 868 . 93 TRP N N 121.145 0.2 1 869 . 93 TRP H H 7.452 0.02 1 870 . 93 TRP CA C 69.757 0.2 1 871 . 93 TRP HA H 4.513 0.02 1 872 . 93 TRP CB C 29.997 0.2 1 873 . 93 TRP HB3 H 2.912 0.02 2 874 . 93 TRP HB2 H 3.562 0.02 2 875 . 93 TRP HD1 H 6.71 0.02 1 876 . 93 TRP NE1 N 130.294 0.2 1 877 . 93 TRP HE1 H 9.701 0.02 1 878 . 93 TRP HZ2 H 7.114 0.02 1 879 . 93 TRP HH2 H 6.636 0.02 1 880 . 93 TRP HZ3 H 6.809 0.02 1 881 . 93 TRP HE3 H 7.115 0.02 1 882 . 93 TRP C C 176.389 0.2 1 883 . 94 SER N N 120.863 0.2 1 884 . 94 SER H H 5.585 0.02 1 885 . 94 SER CA C 54.632 0.2 1 886 . 94 SER HA H 4.541 0.02 1 887 . 94 SER CB C 65.223 0.2 1 888 . 94 SER HB3 H 3.386 0.02 2 889 . 94 SER HB2 H 3.916 0.02 2 890 . 95 PRO CA C 63.699 0.2 1 891 . 95 PRO CB C 31.6 0.2 1 892 . 95 PRO C C 175.434 0.2 1 893 . 96 ALA N N 118.482 0.2 1 894 . 96 ALA H H 7.287 0.02 1 895 . 96 ALA CA C 52.682 0.2 1 896 . 96 ALA HA H 4.128 0.02 1 897 . 96 ALA CB C 18.832 0.2 1 898 . 96 ALA HB H 1.214 0.02 1 899 . 96 ALA C C 178.967 0.2 1 900 . 97 LEU N N 119.485 0.2 1 901 . 97 LEU H H 7.357 0.02 1 902 . 97 LEU CA C 54.797 0.2 1 903 . 97 LEU HA H 4.044 0.02 1 904 . 97 LEU CB C 42.451 0.2 1 905 . 97 LEU HB3 H 1.099 0.02 1 906 . 97 LEU HB2 H 1.099 0.02 1 907 . 97 LEU CG C 27.202 0.2 1 908 . 97 LEU HG H 1.375 0.02 1 909 . 97 LEU HD1 H 0.762 0.02 2 910 . 97 LEU CD2 C 27.275 0.2 2 911 . 97 LEU HD2 H 0.848 0.02 2 912 . 97 LEU C C 173.096 0.2 1 913 . 98 THR N N 101.757 0.2 1 914 . 98 THR H H 6.135 0.02 1 915 . 98 THR CA C 58.124 0.2 1 916 . 98 THR HA H 5.168 0.02 1 917 . 98 THR CB C 73.138 0.2 1 918 . 98 THR HG2 H 1.217 0.02 1 919 . 98 THR C C 176.42 0.2 1 920 . 99 ILE N N 122.54 0.2 1 921 . 99 ILE H H 10.407 0.02 1 922 . 99 ILE CA C 61.049 0.2 1 923 . 99 ILE HA H 4.124 0.02 1 924 . 99 ILE CB C 36.258 0.2 1 925 . 99 ILE HB H 2.168 0.02 1 926 . 99 ILE CG1 C 27.841 0.2 1 927 . 99 ILE HG13 H 1.22 0.02 1 928 . 99 ILE HG12 H 1.562 0.02 1 929 . 99 ILE HD1 H 0.493 0.02 1 930 . 99 ILE CG2 C 19.044 0.2 1 931 . 99 ILE HG2 H 1.079 0.02 1 932 . 99 ILE C C 177.984 0.2 1 933 . 100 SER N N 116.871 0.2 1 934 . 100 SER H H 8.498 0.02 1 935 . 100 SER CA C 62.591 0.2 1 936 . 100 SER HA H 3.972 0.02 1 937 . 100 SER HB3 H 4.039 0.02 1 938 . 100 SER HB2 H 4.039 0.02 1 939 . 100 SER C C 175.665 0.2 1 940 . 101 LYS N N 119.586 0.2 1 941 . 101 LYS H H 7.55 0.02 1 942 . 101 LYS CA C 58.952 0.2 1 943 . 101 LYS HA H 4.14 0.02 1 944 . 101 LYS CB C 32.294 0.2 1 945 . 101 LYS HB3 H 2.044 0.02 1 946 . 101 LYS HB2 H 2.044 0.02 1 947 . 101 LYS CG C 25.627 0.2 1 948 . 101 LYS HG3 H 1.581 0.02 1 949 . 101 LYS HG2 H 1.581 0.02 1 950 . 101 LYS CD C 29.022 0.2 1 951 . 101 LYS HD3 H 1.735 0.02 1 952 . 101 LYS HD2 H 1.735 0.02 1 953 . 101 LYS CE C 42.016 0.2 1 954 . 101 LYS HE3 H 3.004 0.02 1 955 . 101 LYS HE2 H 3.004 0.02 1 956 . 101 LYS C C 180.233 0.2 1 957 . 102 VAL N N 121.887 0.2 1 958 . 102 VAL H H 8.431 0.02 1 959 . 102 VAL CA C 66.975 0.2 1 960 . 102 VAL HA H 3.587 0.02 1 961 . 102 VAL CB C 31.589 0.2 1 962 . 102 VAL HB H 2.513 0.02 1 963 . 102 VAL CG2 C 21.371 0.2 2 964 . 102 VAL HG2 H 0.852 0.02 2 965 . 102 VAL CG1 C 23.163 0.2 2 966 . 102 VAL HG1 H 1.266 0.02 2 967 . 102 VAL C C 177.516 0.2 1 968 . 103 LEU N N 119.068 0.2 1 969 . 103 LEU H H 8.7 0.02 1 970 . 103 LEU CA C 58.621 0.2 1 971 . 103 LEU HA H 3.928 0.02 1 972 . 103 LEU CB C 40.909 0.2 1 973 . 103 LEU HB3 H 1.908 0.02 1 974 . 103 LEU HB2 H 1.908 0.02 1 975 . 103 LEU HG H 2.041 0.02 1 976 . 103 LEU HD1 H 0.803 0.02 2 977 . 103 LEU HD2 H 0.637 0.02 2 978 . 103 LEU C C 179.339 0.2 1 979 . 104 LEU N N 119.579 0.2 1 980 . 104 LEU H H 8.392 0.02 1 981 . 104 LEU CA C 58.607 0.2 1 982 . 104 LEU HA H 4.123 0.02 1 983 . 104 LEU CB C 41.756 0.2 1 984 . 104 LEU HB3 H 1.67 0.02 2 985 . 104 LEU HB2 H 1.938 0.02 2 986 . 104 LEU CG C 27.174 0.2 1 987 . 104 LEU HG H 1.881 0.02 1 988 . 104 LEU CD1 C 23.645 0.2 1 989 . 104 LEU HD1 H 1.0 0.02 2 990 . 104 LEU CD2 C 23.645 0.2 1 991 . 104 LEU HD2 H 0.972 0.02 2 992 . 104 LEU C C 180.401 0.2 1 993 . 105 SER N N 117.426 0.2 1 994 . 105 SER H H 8.278 0.02 1 995 . 105 SER CA C 62.613 0.2 1 996 . 105 SER HA H 4.369 0.02 1 997 . 105 SER CB C 63.81 0.2 1 998 . 105 SER HB3 H 4.0 0.02 1 999 . 105 SER HB2 H 4.0 0.02 1 1000 . 105 SER C C 177.296 0.2 1 1001 . 106 ILE N N 124.422 0.2 1 1002 . 106 ILE H H 8.366 0.02 1 1003 . 106 ILE CA C 66.146 0.2 1 1004 . 106 ILE HA H 3.582 0.02 1 1005 . 106 ILE CB C 37.57 0.2 1 1006 . 106 ILE HB H 2.016 0.02 1 1007 . 106 ILE CG1 C 30.319 0.2 1 1008 . 106 ILE HG13 H 2.026 0.02 1 1009 . 106 ILE HG12 H 2.026 0.02 1 1010 . 106 ILE CD1 C 14.899 0.2 1 1011 . 106 ILE HD1 H 0.64 0.02 1 1012 . 106 ILE CG2 C 18.013 0.2 1 1013 . 106 ILE HG2 H 0.816 0.02 1 1014 . 106 ILE C C 177.197 0.2 1 1015 . 107 CYS N N 118.725 0.2 1 1016 . 107 CYS H H 8.277 0.02 1 1017 . 107 CYS CA C 65.467 0.2 1 1018 . 107 CYS HA H 3.928 0.02 1 1019 . 107 CYS CB C 26.27 0.2 1 1020 . 107 CYS HB3 H 2.941 0.02 2 1021 . 107 CYS HB2 H 3.285 0.02 2 1022 . 107 CYS C C 177.359 0.2 1 1023 . 108 SER N N 114.21 0.2 1 1024 . 108 SER H H 8.163 0.02 1 1025 . 108 SER CA C 62.06 0.2 1 1026 . 108 SER HA H 4.313 0.02 1 1027 . 108 SER CB C 62.704 0.2 1 1028 . 108 SER HB3 H 4.098 0.02 1 1029 . 108 SER HB2 H 4.098 0.02 1 1030 . 108 SER C C 176.221 0.2 1 1031 . 109 LEU N N 124.003 0.2 1 1032 . 109 LEU H H 7.857 0.02 1 1033 . 109 LEU CA C 56.649 0.2 1 1034 . 109 LEU HA H 4.194 0.02 1 1035 . 109 LEU CB C 42.542 0.2 1 1036 . 109 LEU HB3 H 1.647 0.02 2 1037 . 109 LEU HB2 H 2.039 0.02 2 1038 . 109 LEU CG C 26.787 0.2 1 1039 . 109 LEU HG H 1.548 0.02 1 1040 . 109 LEU CD1 C 25.694 0.2 2 1041 . 109 LEU HD1 H 0.716 0.02 2 1042 . 109 LEU CD2 C 23.409 0.2 2 1043 . 109 LEU HD2 H 1.059 0.02 2 1044 . 109 LEU C C 179.969 0.2 1 1045 . 110 LEU N N 118.843 0.2 1 1046 . 110 LEU H H 7.983 0.02 1 1047 . 110 LEU CA C 58.827 0.2 1 1048 . 110 LEU HA H 3.944 0.02 1 1049 . 110 LEU CB C 41.149 0.2 1 1050 . 110 LEU HB3 H 1.584 0.02 2 1051 . 110 LEU HB2 H 2.095 0.02 2 1052 . 110 LEU HG H 1.405 0.02 1 1053 . 110 LEU CD1 C 26.202 0.2 2 1054 . 110 LEU HD1 H 0.787 0.02 2 1055 . 110 LEU CD2 C 21.728 0.2 2 1056 . 110 LEU HD2 H 0.644 0.02 2 1057 . 110 LEU C C 177.445 0.2 1 1058 . 111 CYS N N 113.676 0.2 1 1059 . 111 CYS H H 7.256 0.02 1 1060 . 111 CYS CA C 61.681 0.2 1 1061 . 111 CYS HA H 4.409 0.02 1 1062 . 111 CYS CB C 27.936 0.2 1 1063 . 111 CYS HB3 H 3.173 0.02 1 1064 . 111 CYS HB2 H 3.173 0.02 1 1065 . 111 CYS C C 178.788 0.2 1 1066 . 112 ASP N N 118.882 0.2 1 1067 . 112 ASP H H 8.186 0.02 1 1068 . 112 ASP CA C 58.313 0.2 1 1069 . 112 ASP HA H 5.17 0.02 1 1070 . 112 ASP CB C 38.494 0.2 1 1071 . 112 ASP HB3 H 2.489 0.02 2 1072 . 112 ASP HB2 H 2.679 0.02 2 1073 . 113 PRO CA C 62.46 0.2 1 1074 . 113 PRO CB C 32.589 0.2 1 1075 . 113 PRO C C 173.937 0.2 1 1076 . 114 ASN N N 114.985 0.2 1 1077 . 114 ASN H H 8.639 0.02 1 1078 . 114 ASN CA C 49.249 0.2 1 1079 . 114 ASN HA H 5.394 0.02 1 1080 . 114 ASN CB C 38.928 0.2 1 1081 . 114 ASN HB3 H 2.809 0.02 2 1082 . 114 ASN HB2 H 2.994 0.02 2 1083 . 114 ASN ND2 N 112.257 0.2 1 1084 . 114 ASN HD21 H 7.626 0.02 2 1085 . 114 ASN HD22 H 7.16 0.02 2 1086 . 115 PRO CA C 63.76 0.2 1 1087 . 115 PRO CB C 32.232 0.2 1 1088 . 115 PRO C C 174.365 0.2 1 1089 . 116 ASP N N 118.044 0.2 1 1090 . 116 ASP H H 7.75 0.02 1 1091 . 116 ASP CA C 55.469 0.2 1 1092 . 116 ASP HA H 4.631 0.02 1 1093 . 116 ASP CB C 40.608 0.2 1 1094 . 116 ASP HB3 H 2.651 0.02 2 1095 . 116 ASP HB2 H 2.811 0.02 2 1096 . 116 ASP C C 175.336 0.2 1 1097 . 117 ASP N N 118.47 0.2 1 1098 . 117 ASP H H 6.722 0.02 1 1099 . 117 ASP CA C 51.529 0.2 1 1100 . 117 ASP HA H 4.955 0.02 1 1101 . 117 ASP CB C 41.123 0.2 1 1102 . 117 ASP HB3 H 2.238 0.02 2 1103 . 117 ASP HB2 H 2.756 0.02 2 1104 . 118 PRO CA C 62.605 0.2 1 1105 . 118 PRO CB C 33.172 0.2 1 1106 . 118 PRO C C 177.16 0.2 1 1107 . 119 LEU N N 117.93 0.2 1 1108 . 119 LEU H H 8.668 0.02 1 1109 . 119 LEU CA C 55.414 0.2 1 1110 . 119 LEU HA H 4.736 0.02 1 1111 . 119 LEU CB C 44.266 0.2 1 1112 . 119 LEU HB3 H 1.408 0.02 2 1113 . 119 LEU HB2 H 1.597 0.02 2 1114 . 119 LEU CG C 27.063 0.2 1 1115 . 119 LEU HG H 1.623 0.02 1 1116 . 119 LEU CD1 C 24.999 0.2 2 1117 . 119 LEU HD1 H 0.867 0.02 2 1118 . 119 LEU C C 177.25 0.2 1 1119 . 120 VAL N N 118.017 0.2 1 1120 . 120 VAL H H 7.473 0.02 1 1121 . 120 VAL CA C 59.036 0.2 1 1122 . 120 VAL HA H 4.723 0.02 1 1123 . 120 VAL CB C 31.889 0.2 1 1124 . 120 VAL HB H 2.22 0.02 1 1125 . 120 VAL CG2 C 19.9 0.2 2 1126 . 120 VAL HG2 H 0.962 0.02 2 1127 . 120 VAL CG1 C 23.163 0.2 2 1128 . 120 VAL HG1 H 1.103 0.02 2 1129 . 121 PRO CA C 65.42 0.2 1 1130 . 121 PRO CB C 32.621 0.2 1 1131 . 121 PRO C C 178.646 0.2 1 1132 . 122 GLU N N 118.142 0.2 1 1133 . 122 GLU H H 9.576 0.02 1 1134 . 122 GLU CA C 59.785 0.2 1 1135 . 122 GLU HA H 4.215 0.02 1 1136 . 122 GLU CB C 29.368 0.2 1 1137 . 122 GLU HB3 H 1.982 0.02 2 1138 . 122 GLU HB2 H 2.2 0.02 2 1139 . 122 GLU CG C 36.485 0.2 1 1140 . 122 GLU HG3 H 2.348 0.02 2 1141 . 122 GLU HG2 H 2.425 0.02 2 1142 . 122 GLU C C 178.5 0.2 1 1143 . 123 ILE N N 117.25 0.2 1 1144 . 123 ILE H H 6.863 0.02 1 1145 . 123 ILE CA C 65.188 0.2 1 1146 . 123 ILE HA H 3.737 0.02 1 1147 . 123 ILE CB C 38.681 0.2 1 1148 . 123 ILE HB H 1.457 0.02 1 1149 . 123 ILE CG1 C 20.993 0.2 1 1150 . 123 ILE HG13 H 1.314 0.02 1 1151 . 123 ILE HG12 H 1.314 0.02 1 1152 . 123 ILE CD1 C 14.288 0.2 1 1153 . 123 ILE HD1 H 0.217 0.02 1 1154 . 123 ILE CG2 C 17.446 0.2 1 1155 . 123 ILE HG2 H 0.347 0.02 1 1156 . 123 ILE C C 178.055 0.2 1 1157 . 124 ALA N N 121.599 0.2 1 1158 . 124 ALA H H 7.59 0.02 1 1159 . 124 ALA CA C 55.693 0.2 1 1160 . 124 ALA HA H 3.721 0.02 1 1161 . 124 ALA CB C 18.711 0.2 1 1162 . 124 ALA HB H 1.605 0.02 1 1163 . 124 ALA C C 177.928 0.2 1 1164 . 125 ARG N N 116.475 0.2 1 1165 . 125 ARG H H 8.097 0.02 1 1166 . 125 ARG CA C 59.804 0.2 1 1167 . 125 ARG HA H 4.09 0.02 1 1168 . 125 ARG CB C 30.141 0.2 1 1169 . 125 ARG HB3 H 1.962 0.02 1 1170 . 125 ARG HB2 H 1.962 0.02 1 1171 . 125 ARG CG C 27.486 0.2 1 1172 . 125 ARG HG3 H 1.604 0.02 2 1173 . 125 ARG HG2 H 1.773 0.02 2 1174 . 125 ARG CD C 43.35 0.2 1 1175 . 125 ARG HD3 H 3.29 0.02 1 1176 . 125 ARG HD2 H 3.29 0.02 1 1177 . 125 ARG C C 179.037 0.2 1 1178 . 126 ILE N N 121.979 0.2 1 1179 . 126 ILE H H 8.324 0.02 1 1180 . 126 ILE CA C 65.341 0.2 1 1181 . 126 ILE HA H 3.542 0.02 1 1182 . 126 ILE CB C 38.057 0.2 1 1183 . 126 ILE HB H 0.994 0.02 1 1184 . 126 ILE CG1 C 28.427 0.2 1 1185 . 126 ILE HG13 H 1.655 0.02 1 1186 . 126 ILE HG12 H 1.655 0.02 1 1187 . 126 ILE CD1 C 13.867 0.2 1 1188 . 126 ILE HD1 H -0.365 0.02 1 1189 . 126 ILE CG2 C 16.642 0.2 1 1190 . 126 ILE HG2 H 0.802 0.02 1 1191 . 126 ILE C C 176.736 0.2 1 1192 . 127 TYR N N 119.263 0.2 1 1193 . 127 TYR H H 8.622 0.02 1 1194 . 127 TYR CA C 60.506 0.2 1 1195 . 127 TYR HA H 3.378 0.02 1 1196 . 127 TYR CB C 38.405 0.2 1 1197 . 127 TYR HB3 H 2.462 0.02 2 1198 . 127 TYR HB2 H 2.93 0.02 2 1199 . 127 TYR C C 176.683 0.2 1 1200 . 128 LYS N N 112.722 0.2 1 1201 . 128 LYS H H 7.889 0.02 1 1202 . 128 LYS CA C 59.232 0.2 1 1203 . 128 LYS HA H 4.008 0.02 1 1204 . 128 LYS CB C 33.779 0.2 1 1205 . 128 LYS HB3 H 1.952 0.02 1 1206 . 128 LYS HB2 H 1.952 0.02 1 1207 . 128 LYS CG C 25.906 0.2 1 1208 . 128 LYS HG3 H 1.554 0.02 1 1209 . 128 LYS HG2 H 1.554 0.02 1 1210 . 128 LYS CD C 29.365 0.2 1 1211 . 128 LYS HD3 H 1.68 0.02 1 1212 . 128 LYS HD2 H 1.68 0.02 1 1213 . 128 LYS CE C 41.521 0.2 1 1214 . 128 LYS HE3 H 2.932 0.02 1 1215 . 128 LYS HE2 H 2.932 0.02 1 1216 . 128 LYS C C 178.514 0.2 1 1217 . 129 THR N N 108.645 0.2 1 1218 . 129 THR H H 7.902 0.02 1 1219 . 129 THR CA C 63.118 0.2 1 1220 . 129 THR HA H 4.442 0.02 1 1221 . 129 THR CB C 71.509 0.2 1 1222 . 129 THR HB H 4.211 0.02 1 1223 . 129 THR HG2 H 1.324 0.02 1 1224 . 129 THR C C 174.878 0.2 1 1225 . 130 ASP N N 125.68 0.2 1 1226 . 130 ASP H H 9.04 0.02 1 1227 . 130 ASP CA C 52.963 0.2 1 1228 . 130 ASP HA H 4.776 0.02 1 1229 . 130 ASP CB C 40.53 0.2 1 1230 . 130 ASP HB3 H 2.486 0.02 2 1231 . 130 ASP HB2 H 2.955 0.02 2 1232 . 130 ASP C C 174.162 0.2 1 1233 . 131 ARG N N 125.113 0.2 1 1234 . 131 ARG H H 8.64 0.02 1 1235 . 131 ARG CA C 57.485 0.2 1 1236 . 131 ARG HA H 4.766 0.02 1 1237 . 131 ARG CB C 28.736 0.2 1 1238 . 131 ARG HB3 H 1.806 0.02 1 1239 . 131 ARG HB2 H 1.806 0.02 1 1240 . 131 ARG CG C 25.59 0.2 1 1241 . 131 ARG HG3 H 1.488 0.02 1 1242 . 131 ARG HG2 H 1.488 0.02 1 1243 . 131 ARG CD C 42.112 0.2 1 1244 . 131 ARG HD3 H 2.995 0.02 1 1245 . 131 ARG HD2 H 2.995 0.02 1 1246 . 131 ARG C C 178.081 0.2 1 1247 . 132 GLU N N 116.307 0.2 1 1248 . 132 GLU H H 8.435 0.02 1 1249 . 132 GLU CA C 59.417 0.2 1 1250 . 132 GLU HA H 4.182 0.02 1 1251 . 132 GLU CB C 29.068 0.2 1 1252 . 132 GLU HB3 H 2.115 0.02 1 1253 . 132 GLU HB2 H 2.115 0.02 1 1254 . 132 GLU CG C 36.428 0.2 1 1255 . 132 GLU HG3 H 2.331 0.02 2 1256 . 132 GLU HG2 H 2.432 0.02 2 1257 . 132 GLU C C 179.231 0.2 1 1258 . 133 LYS N N 122.965 0.2 1 1259 . 133 LYS H H 7.58 0.02 1 1260 . 133 LYS CA C 59.763 0.2 1 1261 . 133 LYS HA H 3.963 0.02 1 1262 . 133 LYS CB C 32.444 0.2 1 1263 . 133 LYS HB3 H 1.868 0.02 1 1264 . 133 LYS HB2 H 1.868 0.02 1 1265 . 133 LYS C C 177.49 0.2 1 1266 . 134 TYR N N 118.562 0.2 1 1267 . 134 TYR H H 8.169 0.02 1 1268 . 134 TYR CA C 62.18 0.2 1 1269 . 134 TYR HA H 4.5 0.02 1 1270 . 134 TYR CB C 38.384 0.2 1 1271 . 134 TYR HB3 H 2.947 0.02 2 1272 . 134 TYR HB2 H 3.023 0.02 2 1273 . 134 TYR C C 175.725 0.2 1 1274 . 135 ASN N N 117.152 0.2 1 1275 . 135 ASN H H 8.771 0.02 1 1276 . 135 ASN CA C 55.841 0.2 1 1277 . 135 ASN HA H 4.086 0.02 1 1278 . 135 ASN CB C 37.801 0.2 1 1279 . 135 ASN HB3 H 2.751 0.02 2 1280 . 135 ASN HB2 H 2.978 0.02 2 1281 . 135 ASN ND2 N 108.636 0.2 1 1282 . 135 ASN HD21 H 7.463 0.02 2 1283 . 135 ASN HD22 H 6.688 0.02 2 1284 . 135 ASN C C 177.58 0.2 1 1285 . 136 ARG N N 120.288 0.2 1 1286 . 136 ARG H H 7.961 0.02 1 1287 . 136 ARG CA C 59.972 0.2 1 1288 . 136 ARG HA H 3.989 0.02 1 1289 . 136 ARG CB C 30.253 0.2 1 1290 . 136 ARG HB3 H 2.002 0.02 1 1291 . 136 ARG HB2 H 2.002 0.02 1 1292 . 136 ARG CG C 28.81 0.2 1 1293 . 136 ARG HG3 H 1.59 0.02 2 1294 . 136 ARG HG2 H 1.805 0.02 2 1295 . 136 ARG CD C 43.686 0.2 1 1296 . 136 ARG HD3 H 2.955 0.02 1 1297 . 136 ARG HD2 H 2.955 0.02 1 1298 . 136 ARG C C 179.893 0.2 1 1299 . 137 ILE N N 122.468 0.2 1 1300 . 137 ILE H H 7.701 0.02 1 1301 . 137 ILE CA C 65.362 0.2 1 1302 . 137 ILE HA H 3.725 0.02 1 1303 . 137 ILE CB C 38.013 0.2 1 1304 . 137 ILE HB H 2.174 0.02 1 1305 . 137 ILE CG1 C 29.401 0.2 1 1306 . 137 ILE HG13 H 1.317 0.02 1 1307 . 137 ILE HG12 H 1.309 0.02 1 1308 . 137 ILE CD1 C 12.762 0.2 1 1309 . 137 ILE HD1 H 0.957 0.02 1 1310 . 137 ILE CG2 C 17.656 0.2 1 1311 . 137 ILE HG2 H 1.165 0.02 1 1312 . 137 ILE C C 177.653 0.2 1 1313 . 138 ALA N N 121.22 0.2 1 1314 . 138 ALA H H 8.581 0.02 1 1315 . 138 ALA CA C 55.801 0.2 1 1316 . 138 ALA HA H 3.954 0.02 1 1317 . 138 ALA CB C 17.449 0.2 1 1318 . 138 ALA HB H 1.106 0.02 1 1319 . 139 ARG N N 120.874 0.2 1 1320 . 139 ARG H H 8.318 0.02 1 1321 . 139 ARG CA C 60.128 0.2 1 1322 . 139 ARG HA H 3.989 0.02 1 1323 . 139 ARG CB C 30.452 0.2 1 1324 . 139 ARG HB3 H 2.041 0.02 1 1325 . 139 ARG HB2 H 2.041 0.02 1 1326 . 139 ARG C C 178.778 0.2 1 1327 . 140 GLU N N 123.415 0.2 1 1328 . 140 GLU H H 8.426 0.02 1 1329 . 140 GLU CA C 59.951 0.2 1 1330 . 140 GLU HA H 4.137 0.02 1 1331 . 140 GLU CB C 29.379 0.2 1 1332 . 140 GLU HB3 H 2.332 0.02 2 1333 . 140 GLU HB2 H 2.457 0.02 2 1334 . 140 GLU CG C 36.595 0.2 1 1335 . 140 GLU HG3 H 2.326 0.02 2 1336 . 140 GLU HG2 H 2.589 0.02 2 1337 . 140 GLU C C 180.44 0.2 1 1338 . 141 TRP N N 120.006 0.2 1 1339 . 141 TRP H H 9.628 0.02 1 1340 . 141 TRP CA C 61.681 0.2 1 1341 . 141 TRP HA H 4.437 0.02 1 1342 . 141 TRP CB C 29.065 0.2 1 1343 . 141 TRP HB3 H 3.613 0.02 2 1344 . 141 TRP HB2 H 3.761 0.02 2 1345 . 141 TRP HD1 H 7.316 0.02 1 1346 . 141 TRP NE1 N 130.279 0.2 1 1347 . 141 TRP HE1 H 10.217 0.02 1 1348 . 141 TRP HZ2 H 7.71 0.02 1 1349 . 141 TRP HH2 H 7.427 0.02 1 1350 . 141 TRP HZ3 H 7.091 0.02 1 1351 . 141 TRP HE3 H 7.354 0.02 1 1352 . 141 TRP C C 180.976 0.2 1 1353 . 142 THR N N 124.843 0.2 1 1354 . 142 THR H H 8.598 0.02 1 1355 . 142 THR CA C 68.683 0.2 1 1356 . 142 THR HA H 4.377 0.02 1 1357 . 142 THR HG2 H 1.342 0.02 1 1358 . 142 THR C C 175.865 0.2 1 1359 . 143 GLN N N 119.634 0.2 1 1360 . 143 GLN H H 8.156 0.02 1 1361 . 143 GLN CA C 58.519 0.2 1 1362 . 143 GLN HA H 4.226 0.02 1 1363 . 143 GLN CB C 28.48 0.2 1 1364 . 143 GLN HB3 H 2.14 0.02 2 1365 . 143 GLN HB2 H 2.263 0.02 2 1366 . 143 GLN CG C 34.009 0.2 1 1367 . 143 GLN HG3 H 2.494 0.02 2 1368 . 143 GLN HG2 H 2.586 0.02 2 1369 . 143 GLN C C 177.556 0.2 1 1370 . 144 LYS N N 115.885 0.2 1 1371 . 144 LYS H H 7.973 0.02 1 1372 . 144 LYS CA C 58.862 0.2 1 1373 . 144 LYS HA H 3.933 0.02 1 1374 . 144 LYS CB C 33.456 0.2 1 1375 . 144 LYS HB3 H 0.912 0.02 2 1376 . 144 LYS HB2 H 1.234 0.02 2 1377 . 144 LYS CG C 25.006 0.2 1 1378 . 144 LYS HG3 H 0.658 0.02 2 1379 . 144 LYS HG2 H 1.075 0.02 2 1380 . 144 LYS CD C 29.375 0.2 1 1381 . 144 LYS HD3 H 1.177 0.02 2 1382 . 144 LYS HD2 H 1.273 0.02 2 1383 . 144 LYS CE C 41.941 0.2 1 1384 . 144 LYS HE3 H 2.719 0.02 1 1385 . 144 LYS HE2 H 2.719 0.02 1 1386 . 144 LYS C C 178.535 0.2 1 1387 . 145 TYR N N 112.607 0.2 1 1388 . 145 TYR H H 8.073 0.02 1 1389 . 145 TYR CA C 58.021 0.2 1 1390 . 145 TYR HA H 5.082 0.02 1 1391 . 145 TYR CB C 40.575 0.2 1 1392 . 145 TYR HB3 H 2.796 0.02 2 1393 . 145 TYR HB2 H 3.608 0.02 2 1394 . 145 TYR HD1 H 7.224 0.02 1 1395 . 145 TYR HE1 H 6.007 0.02 1 1396 . 145 TYR HE2 H 6.007 0.02 1 1397 . 145 TYR HD2 H 7.224 0.02 1 1398 . 145 TYR C C 176.311 0.2 1 1399 . 146 ALA N N 123.004 0.2 1 1400 . 146 ALA H H 8.263 0.02 1 1401 . 146 ALA CA C 51.454 0.2 1 1402 . 146 ALA HA H 4.953 0.02 1 1403 . 146 ALA CB C 21.639 0.2 1 1404 . 146 ALA HB H 1.112 0.02 1 1405 . 146 ALA C C 175.2 0.2 1 1406 . 147 MET N N 122.624 0.2 1 1407 . 147 MET H H 7.255 0.02 1 1408 . 147 MET CA C 57.042 0.2 1 1409 . 147 MET HA H 4.581 0.02 1 1410 . 147 MET CB C 35.558 0.2 1 1411 . 147 MET HB3 H 1.968 0.02 2 1412 . 147 MET HB2 H 2.274 0.02 2 1413 . 147 MET CG C 33.439 0.2 1 1414 . 147 MET HG3 H 2.555 0.02 1 1415 . 147 MET HG2 H 2.555 0.02 1 stop_ save_