data_6342 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for human survivin ; _BMRB_accession_number 6342 _BMRB_flat_file_name bmr6342.str _Entry_type original _Submission_date 2004-10-07 _Accession_date 2004-10-08 _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 Olejniczak Edward T. . 2 Nettesheim David . . 3 Sun Chaohong . . 4 Liu Zhihong . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 581 "13C chemical shifts" 450 "15N chemical shifts" 102 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2005-03-16 original author . stop_ _Original_release_date 2005-03-16 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of human survivin and its binding interface with Smac/Diablo' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15628841 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Sun Chaohong . . 2 Nettesheim David . . 3 Liu Zhihong . . 4 Olejniczak Edward T. . stop_ _Journal_abbreviation Biochemistry _Journal_volume 44 _Journal_issue 1 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 11 _Page_last 17 _Year 2005 _Details . loop_ _Keyword NMR 'bir domain' stop_ save_ ################################## # Molecular system description # ################################## save_molecular_system_survivin _Saveframe_category molecular_system _Mol_system_name 'survivin dimer' _Abbreviation_common 'survivin dimer' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'survivin, chain A' $Survivin 'survivin, chain B' $Survivin stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state dimer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Magnetic_equivalence_ID _Magnetically_equivalent_system_component 1 'survivin, chain A' 1 'survivin, chain B' stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_Survivin _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common survivin _Abbreviation_common survivin _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 117 _Mol_residue_sequence ; MGAPTLPPAWQPFLKDHRIS TFKNWPFLEGCACTPERMAE AGFIHCPTENEPDLAQCFFC FKELEGWEPDDDPIEEHKKH SSGCAFLSVKKQFEELTLGE FLKLDRERAKNKIAKET ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLY 3 ALA 4 PRO 5 THR 6 LEU 7 PRO 8 PRO 9 ALA 10 TRP 11 GLN 12 PRO 13 PHE 14 LEU 15 LYS 16 ASP 17 HIS 18 ARG 19 ILE 20 SER 21 THR 22 PHE 23 LYS 24 ASN 25 TRP 26 PRO 27 PHE 28 LEU 29 GLU 30 GLY 31 CYS 32 ALA 33 CYS 34 THR 35 PRO 36 GLU 37 ARG 38 MET 39 ALA 40 GLU 41 ALA 42 GLY 43 PHE 44 ILE 45 HIS 46 CYS 47 PRO 48 THR 49 GLU 50 ASN 51 GLU 52 PRO 53 ASP 54 LEU 55 ALA 56 GLN 57 CYS 58 PHE 59 PHE 60 CYS 61 PHE 62 LYS 63 GLU 64 LEU 65 GLU 66 GLY 67 TRP 68 GLU 69 PRO 70 ASP 71 ASP 72 ASP 73 PRO 74 ILE 75 GLU 76 GLU 77 HIS 78 LYS 79 LYS 80 HIS 81 SER 82 SER 83 GLY 84 CYS 85 ALA 86 PHE 87 LEU 88 SER 89 VAL 90 LYS 91 LYS 92 GLN 93 PHE 94 GLU 95 GLU 96 LEU 97 THR 98 LEU 99 GLY 100 GLU 101 PHE 102 LEU 103 LYS 104 LEU 105 ASP 106 ARG 107 GLU 108 ARG 109 ALA 110 LYS 111 ASN 112 LYS 113 ILE 114 ALA 115 LYS 116 GLU 117 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-26 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 1E31 "Survivin Dimer H. Sapiens" 100.00 142 100.00 100.00 6.68e-80 PDB 1F3H "X-Ray Crystal Structure Of The Human Anti-Apoptotic Protein Survivin" 100.00 142 99.15 100.00 1.18e-79 PDB 1XOX "Solution Structure Of Human Survivin" 100.00 117 100.00 100.00 4.51e-79 PDB 2QFA "Crystal Structure Of A Survivin-Borealin-Incenp Core Complex" 100.00 142 100.00 100.00 6.68e-80 PDB 2RAW "Crystal Structure Of The Borealin-survivin Complex" 100.00 145 100.00 100.00 6.46e-80 PDB 2RAX "Crystal Structure Of Borealin (20-78) Bound To Survivin (1-120)" 100.00 123 100.00 100.00 2.66e-79 PDB 3UEC "Crystal Structure Of Human Survivin Bound To Histone H3 Phosphorylated On Threonine-3." 100.00 146 100.00 100.00 7.70e-80 PDB 3UED "Crystal Structure Of Human Survivin Bound To Histone H3 Phosphorylated On Threonine-3 (C2 Space Group)." 100.00 146 100.00 100.00 7.70e-80 PDB 3UEE "Crystal Structure Of Human Survivin K62a Mutant Bound To N-Terminal Histone H3" 100.00 146 99.15 99.15 3.08e-79 PDB 3UEF "Crystal Structure Of Human Survivin Bound To Histone H3 (C2 Space Group)" 100.00 146 100.00 100.00 7.70e-80 PDB 3UEG "Crystal Structure Of Human Survivin K62a Mutant" 100.00 146 99.15 99.15 3.08e-79 PDB 3UEH "Crystal Structure Of Human Survivin H80a Mutant" 100.00 146 99.15 99.15 1.07e-78 PDB 3UEI "Crystal Structure Of Human Survivin E65a Mutant" 100.00 146 99.15 99.15 3.21e-79 PDB 3UIG "Crystal Structure Of Human Survivin In Complex With T3 Phosphorylated H3(1-15) Peptide" 100.00 143 100.00 100.00 8.13e-80 PDB 3UIH "Crystal Structure Of Human Survivin In Complex With SmacDIABLO(1-15) Peptide" 100.00 143 100.00 100.00 8.13e-80 PDB 3UII "Crystal Structure Of Human Survivin In Complex With H3(1-10) Peptide" 100.00 143 100.00 100.00 8.13e-80 PDB 3UIJ "Crystal Structure Of Human Survivin K62yH80W MUTANT IN COMPLEX WITH SmacDIABLO(1-15) Peptide" 100.00 143 98.29 98.29 2.29e-77 PDB 3UIK "Crystal Structure Of Human Survivin Mutant K62yH80W IN COMPLEX WITH H3(1-10) Peptide" 100.00 143 98.29 98.29 2.29e-77 PDB 4A0I "Crystal Structure Of Survivin Bound To The N-Terminal Tail Of Hsgo1" 100.00 142 100.00 100.00 6.68e-80 PDB 4A0J "Crystal Structure Of Survivin Bound To The Phosphorylated N- Terminal Tail Of Histone H3" 100.00 142 100.00 100.00 6.68e-80 PDB 4A0N "Crystal Structure Of Survivin Bound To The Phosphorylated N- Terminal Tail Of Histone H3" 100.00 142 100.00 100.00 6.68e-80 DBJ BAC22748 "survivin [Canis lupus familiaris]" 100.00 142 99.15 100.00 1.93e-79 DBJ BAD11155 "survivin-3B protein [Homo sapiens]" 98.29 120 98.26 99.13 9.68e-77 DBJ BAD97148 "baculoviral IAP repeat-containing protein 5 variant [Homo sapiens]" 100.00 142 99.15 99.15 2.76e-79 DBJ BAE00908 "unnamed protein product [Macaca fascicularis]" 100.00 237 99.15 99.15 1.07e-77 DBJ BAG34858 "unnamed protein product [Homo sapiens]" 100.00 142 100.00 100.00 6.68e-80 EMBL CAG46540 "BIRC5 [Homo sapiens]" 100.00 142 100.00 100.00 6.61e-80 EMBL CAH91231 "hypothetical protein [Pongo abelii]" 100.00 142 100.00 100.00 6.68e-80 EMBL CAL38006 "hypothetical protein [synthetic construct]" 100.00 142 100.00 100.00 6.68e-80 GB AAC51660 "apoptosis inhibitor survivin [Homo sapiens]" 100.00 142 100.00 100.00 6.68e-80 GB AAD34226 "inhibitor of apoptosis homolog [Homo sapiens]" 100.00 142 100.00 100.00 6.68e-80 GB AAH08718 "Baculoviral IAP repeat-containing 5 [Homo sapiens]" 100.00 142 100.00 100.00 6.68e-80 GB AAH34148 "Baculoviral IAP repeat-containing 5 [Homo sapiens]" 100.00 142 100.00 100.00 6.68e-80 GB AAH65497 "Baculoviral IAP repeat-containing 5 [Homo sapiens]" 100.00 142 100.00 100.00 6.68e-80 REF NP_001125727 "baculoviral IAP repeat-containing protein 5 [Pongo abelii]" 100.00 142 100.00 100.00 6.68e-80 REF NP_001159 "baculoviral IAP repeat-containing protein 5 isoform 1 [Homo sapiens]" 100.00 142 100.00 100.00 7.21e-80 REF NP_001233436 "baculoviral IAP repeat-containing protein 5 [Pan troglodytes]" 98.29 120 98.26 99.13 9.68e-77 REF NP_001253110 "baculoviral IAP repeat-containing protein 5 [Macaca mulatta]" 100.00 142 100.00 100.00 1.10e-79 REF NP_001270879 "baculoviral IAP repeat containing 5 [Macaca fascicularis]" 100.00 237 99.15 99.15 1.07e-77 SP O15392 "RecName: Full=Baculoviral IAP repeat-containing protein 5; AltName: Full=Apoptosis inhibitor 4; AltName: Full=Apoptosis inhibit" 100.00 142 100.00 100.00 6.68e-80 SP Q5RAH9 "RecName: Full=Baculoviral IAP repeat-containing protein 5; AltName: Full=Apoptosis inhibitor survivin [Pongo abelii]" 100.00 142 100.00 100.00 6.68e-80 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Survivin 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 $Survivin 'recombinant technology' 'E. 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 $Survivin 0.7 mM '[U-13C; U-15N; U-75% 2H]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Survivin 1.0 mM '[U-13C; U-15N]' stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCA_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_HN(CO)CA_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _Sample_label . save_ save_HN(CA)CB_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CB _Sample_label . save_ save_HN(COCA)CB_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)CB _Sample_label . save_ save_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HN(CA)CO_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _Sample_label . save_ save_13C,_15N_edit/seperated_Noesy_7 _Saveframe_category NMR_applied_experiment _Experiment_name '13C, 15N edit/seperated Noesy' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CO)CA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HN(COCA)CB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name HN(CA)CO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '13C, 15N edit/seperated 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 pH 7.5 0.1 pH temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 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_1 stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'survivin, chain A' _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 GLY HA2 H 3.93 0.03 2 2 . 2 GLY CA C 44.70 0.3 1 3 . 3 ALA H H 8.21 0.03 1 4 . 3 ALA HA H 4.60 0.03 1 5 . 3 ALA HB H 1.37 0.03 1 6 . 3 ALA CA C 50.40 0.3 1 7 . 3 ALA CB C 18.10 0.3 1 8 . 3 ALA N N 124.70 0.3 1 9 . 4 PRO HA H 4.53 0.03 1 10 . 4 PRO HB2 H 2.34 0.03 2 11 . 4 PRO HB3 H 1.94 0.03 2 12 . 4 PRO HG2 H 2.04 0.03 2 13 . 4 PRO HD2 H 3.82 0.03 2 14 . 4 PRO HD3 H 3.68 0.03 2 15 . 4 PRO CA C 62.90 0.3 1 16 . 4 PRO CB C 31.90 0.3 1 17 . 4 PRO CG C 27.10 0.3 1 18 . 4 PRO CD C 50.10 0.3 1 19 . 5 THR C C 180.375 0.3 1 20 . 5 THR CA C 61.098 0.3 1 21 . 5 THR CB C 69.287 0.3 1 22 . 5 THR N N 114.375 0.3 1 23 . 6 LEU H H 8.132 0.03 1 24 . 6 LEU HA H 4.80 0.03 1 25 . 6 LEU HB2 H 1.65 0.03 2 26 . 6 LEU HB3 H 1.60 0.03 2 27 . 6 LEU HG H 1.88 0.03 1 28 . 6 LEU HD1 H 1.16 0.03 2 29 . 6 LEU HD2 H 1.02 0.03 2 30 . 6 LEU CA C 52.20 0.3 1 31 . 6 LEU CB C 42.60 0.3 1 32 . 6 LEU CG C 27.10 0.3 1 33 . 6 LEU CD1 C 24.10 0.3 1 34 . 6 LEU CD2 C 26.20 0.3 1 35 . 6 LEU N N 125.386 0.3 1 36 . 7 PRO HA H 4.57 0.03 1 37 . 7 PRO HB2 H 2.11 0.03 2 38 . 7 PRO HB3 H 1.46 0.03 2 39 . 7 PRO HD2 H 3.67 0.03 2 40 . 7 PRO HD3 H 3.36 0.03 2 41 . 7 PRO CA C 61.10 0.3 1 42 . 7 PRO CB C 30.40 0.3 1 43 . 7 PRO CD C 50.40 0.3 1 44 . 8 PRO HA H 4.08 0.03 1 45 . 8 PRO HB2 H 2.32 0.03 2 46 . 8 PRO HB3 H 2.00 0.03 2 47 . 8 PRO HG2 H 2.12 0.03 2 48 . 8 PRO HG3 H 2.00 0.03 2 49 . 8 PRO HD2 H 3.87 0.03 2 50 . 8 PRO HD3 H 3.70 0.03 2 51 . 8 PRO CA C 65.60 0.3 1 52 . 8 PRO CB C 31.90 0.3 1 53 . 8 PRO CG C 27.40 0.3 1 54 . 8 PRO CD C 50.40 0.3 1 55 . 9 ALA HA H 4.21 0.03 1 56 . 9 ALA HB H 1.34 0.03 1 57 . 9 ALA CA C 54.30 0.3 1 58 . 9 ALA CB C 18.40 0.3 1 59 . 10 TRP H H 8.12 0.03 1 60 . 10 TRP HA H 5.33 0.03 1 61 . 10 TRP HB2 H 3.53 0.03 2 62 . 10 TRP HB3 H 3.22 0.03 2 63 . 10 TRP HD1 H 7.17 0.03 1 64 . 10 TRP HE1 H 10.50 0.03 1 65 . 10 TRP HE3 H 7.37 0.03 1 66 . 10 TRP HZ2 H 7.44 0.03 1 67 . 10 TRP HZ3 H 6.63 0.03 1 68 . 10 TRP HH2 H 6.91 0.03 1 69 . 10 TRP C C 178.28 0.3 1 70 . 10 TRP CA C 55.20 0.3 1 71 . 10 TRP CB C 31.00 0.3 1 72 . 10 TRP CD1 C 123.90 0.3 1 73 . 10 TRP CE3 C 119.40 0.3 1 74 . 10 TRP CZ2 C 114.30 0.3 1 75 . 10 TRP CZ3 C 121.50 0.3 1 76 . 10 TRP CH2 C 124.20 0.3 1 77 . 10 TRP N N 114.60 0.3 1 78 . 10 TRP NE1 N 130.10 0.3 1 79 . 11 GLN H H 7.41 0.03 1 80 . 11 GLN HA H 3.84 0.03 1 81 . 11 GLN HB2 H 1.72 0.03 2 82 . 11 GLN HB3 H 1.30 0.03 2 83 . 11 GLN HG2 H 2.34 0.03 2 84 . 11 GLN HG3 H 2.12 0.03 2 85 . 11 GLN HE21 H 7.25 0.03 1 86 . 11 GLN HE22 H 6.85 0.03 1 87 . 11 GLN CA C 60.50 0.3 1 88 . 11 GLN CB C 25.30 0.3 1 89 . 11 GLN CG C 34.20 0.3 1 90 . 11 GLN N N 119.80 0.3 1 91 . 11 GLN NE2 N 110.00 0.3 1 92 . 12 PRO HA H 3.98 0.03 1 93 . 12 PRO HB2 H 1.96 0.03 2 94 . 12 PRO HB3 H 1.39 0.03 2 95 . 12 PRO HG2 H 1.95 0.03 2 96 . 12 PRO HG3 H 1.82 0.03 2 97 . 12 PRO HD2 H 3.58 0.03 2 98 . 12 PRO HD3 H 3.38 0.03 2 99 . 12 PRO C C 180.437 0.3 1 100 . 12 PRO CA C 65.00 0.3 1 101 . 12 PRO CB C 31.00 0.3 1 102 . 12 PRO CG C 28.00 0.3 1 103 . 12 PRO CD C 50.40 0.3 1 104 . 13 PHE H H 7.56 0.03 1 105 . 13 PHE HA H 3.35 0.03 1 106 . 13 PHE HB2 H 3.09 0.03 2 107 . 13 PHE HB3 H 2.99 0.03 2 108 . 13 PHE HD1 H 7.79 0.03 1 109 . 13 PHE HD2 H 7.79 0.03 1 110 . 13 PHE HE1 H 7.67 0.03 1 111 . 13 PHE HE2 H 7.67 0.03 1 112 . 13 PHE HZ H 7.25 0.03 1 113 . 13 PHE CA C 60.20 0.3 1 114 . 13 PHE CB C 38.70 0.3 1 115 . 13 PHE CD1 C 132.50 0.3 1 116 . 13 PHE CD2 C 132.50 0.3 1 117 . 13 PHE CE1 C 131.00 0.3 1 118 . 13 PHE CE2 C 131.00 0.3 1 119 . 13 PHE CZ C 128.90 0.3 1 120 . 13 PHE N N 111.50 0.3 1 121 . 14 LEU H H 8.14 0.03 1 122 . 14 LEU HA H 4.35 0.03 1 123 . 14 LEU HB2 H 1.97 0.03 2 124 . 14 LEU HB3 H 1.63 0.03 2 125 . 14 LEU HG H 1.47 0.03 1 126 . 14 LEU HD1 H 0.88 0.03 2 127 . 14 LEU HD2 H 0.66 0.03 2 128 . 14 LEU C C 176.498 0.3 1 129 . 14 LEU CA C 53.70 0.3 1 130 . 14 LEU CB C 41.10 0.3 1 131 . 14 LEU CG C 27.10 0.3 1 132 . 14 LEU CD1 C 25.30 0.3 1 133 . 14 LEU CD2 C 23.20 0.3 1 134 . 14 LEU N N 121.60 0.3 1 135 . 15 LYS H H 7.225 0.03 1 136 . 15 LYS HA H 3.52 0.03 1 137 . 15 LYS HB2 H 2.05 0.03 2 138 . 15 LYS HB3 H 1.91 0.03 2 139 . 15 LYS HG2 H 1.36 0.03 2 140 . 15 LYS HG3 H 1.22 0.03 2 141 . 15 LYS HD2 H 1.81 0.03 2 142 . 15 LYS HE2 H 2.91 0.03 1 143 . 15 LYS C C 176.648 0.3 1 144 . 15 LYS CA C 60.80 0.3 1 145 . 15 LYS CB C 31.90 0.3 1 146 . 15 LYS CG C 25.00 0.3 1 147 . 15 LYS CD C 29.50 0.3 1 148 . 15 LYS CE C 41.70 0.3 1 149 . 15 LYS N N 118.56 0.3 1 150 . 16 ASP H H 9.05 0.03 1 151 . 16 ASP HA H 4.32 0.03 1 152 . 16 ASP HB2 H 2.63 0.03 2 153 . 16 ASP HB3 H 2.50 0.03 2 154 . 16 ASP C C 175.597 0.3 1 155 . 16 ASP CA C 57.00 0.3 1 156 . 16 ASP CB C 39.90 0.3 1 157 . 16 ASP N N 115.90 0.3 1 158 . 17 HIS H H 7.01 0.03 1 159 . 17 HIS HA H 4.25 0.03 1 160 . 17 HIS HB2 H 3.34 0.03 2 161 . 17 HIS HB3 H 3.02 0.03 2 162 . 17 HIS HD2 H 6.27 0.03 1 163 . 17 HIS C C 175.737 0.3 1 164 . 17 HIS CA C 59.30 0.3 1 165 . 17 HIS CB C 30.40 0.3 1 166 . 17 HIS CD2 C 119.40 0.3 1 167 . 17 HIS N N 118.50 0.3 1 168 . 18 ARG H H 7.73 0.03 1 169 . 18 ARG HA H 3.96 0.03 1 170 . 18 ARG C C 174.401 0.3 1 171 . 18 ARG CA C 61.10 0.3 1 172 . 18 ARG N N 118.00 0.3 1 173 . 19 ILE H H 8.85 0.03 1 174 . 19 ILE HA H 3.63 0.03 1 175 . 19 ILE HB H 1.78 0.03 1 176 . 19 ILE HG12 H 0.81 0.03 1 177 . 19 ILE HG13 H 1.59 0.03 2 178 . 19 ILE HG2 H 0.90 0.03 1 179 . 19 ILE HD1 H 0.86 0.03 1 180 . 19 ILE C C 177.869 0.3 1 181 . 19 ILE CA C 65.90 0.3 1 182 . 19 ILE CB C 37.70 0.3 1 183 . 19 ILE CG1 C 30.40 0.3 1 184 . 19 ILE CG2 C 16.60 0.3 1 185 . 19 ILE CD1 C 13.90 0.3 1 186 . 19 ILE N N 120.30 0.3 1 187 . 20 SER H H 7.47 0.03 1 188 . 20 SER HA H 4.32 0.03 1 189 . 20 SER HB2 H 4.00 0.03 2 190 . 20 SER C C 179.93 0.3 1 191 . 20 SER CA C 60.80 0.3 1 192 . 20 SER CB C 62.90 0.3 1 193 . 20 SER N N 116.70 0.3 1 194 . 21 THR H H 7.42 0.03 1 195 . 21 THR HA H 4.22 0.03 1 196 . 21 THR HB H 4.44 0.03 1 197 . 21 THR HG2 H 1.23 0.03 1 198 . 21 THR C C 176.82 0.3 1 199 . 21 THR CA C 63.30 0.3 1 200 . 21 THR CB C 69.80 0.3 1 201 . 21 THR CG2 C 20.80 0.3 1 202 . 21 THR N N 110.50 0.3 1 203 . 22 PHE H H 7.60 0.03 1 204 . 22 PHE HA H 4.75 0.03 1 205 . 22 PHE HB2 H 3.11 0.03 2 206 . 22 PHE HB3 H 2.83 0.03 2 207 . 22 PHE HZ H 6.09 0.03 1 208 . 22 PHE CA C 59.00 0.3 1 209 . 22 PHE CB C 37.211 0.3 1 210 . 22 PHE CZ C 128.90 0.3 1 211 . 22 PHE N N 120.00 0.3 1 212 . 24 ASN HA H 4.71 0.03 1 213 . 24 ASN HB2 H 3.01 0.03 2 214 . 24 ASN HB3 H 2.81 0.03 2 215 . 24 ASN CA C 52.80 0.3 1 216 . 24 ASN CB C 37.50 0.3 1 217 . 25 TRP H H 8.15 0.03 1 218 . 25 TRP HB2 H 3.18 0.03 2 219 . 25 TRP HB3 H 3.11 0.03 2 220 . 25 TRP HD1 H 7.29 0.03 1 221 . 25 TRP HE1 H 10.59 0.03 1 222 . 25 TRP HE3 H 6.18 0.03 1 223 . 25 TRP HZ2 H 7.08 0.03 1 224 . 25 TRP HZ3 H 6.71 0.03 1 225 . 25 TRP HH2 H 6.34 0.03 1 226 . 25 TRP CB C 31.90 0.3 1 227 . 25 TRP CD1 C 126.50 0.3 1 228 . 25 TRP CE3 C 118.80 0.3 1 229 . 25 TRP CZ2 C 114.30 0.3 1 230 . 25 TRP CZ3 C 122.40 0.3 1 231 . 25 TRP CH2 C 125.90 0.3 1 232 . 25 TRP N N 123.60 0.3 1 233 . 25 TRP NE1 N 130.10 0.3 1 234 . 26 PRO HA H 4.00 0.03 1 235 . 26 PRO HB2 H 1.64 0.03 2 236 . 26 PRO HB3 H 0.58 0.03 2 237 . 26 PRO HG2 H 1.14 0.03 2 238 . 26 PRO HG3 H 0.06 0.03 2 239 . 26 PRO HD2 H 3.07 0.03 2 240 . 26 PRO HD3 H 1.80 0.03 2 241 . 26 PRO CA C 63.82 0.3 1 242 . 26 PRO CB C 31.30 0.3 1 243 . 26 PRO CG C 25.60 0.3 1 244 . 26 PRO CD C 49.80 0.3 1 245 . 27 PHE HA H 4.94 0.03 1 246 . 27 PHE HB2 H 3.23 0.03 2 247 . 27 PHE HB3 H 3.16 0.03 2 248 . 27 PHE HD1 H 6.99 0.03 1 249 . 27 PHE HD2 H 6.99 0.03 1 250 . 27 PHE HE1 H 7.00 0.03 1 251 . 27 PHE HE2 H 7.00 0.03 1 252 . 27 PHE HZ H 7.15 0.03 1 253 . 27 PHE C C 180.965 0.3 1 254 . 27 PHE CA C 54.60 0.3 1 255 . 27 PHE CB C 38.10 0.3 1 256 . 27 PHE CD1 C 131.30 0.3 1 257 . 27 PHE CD2 C 131.30 0.3 1 258 . 27 PHE CZ C 129.50 0.3 1 259 . 27 PHE N N 118.00 0.3 1 260 . 28 LEU H H 8.19 0.03 1 261 . 28 LEU HA H 4.55 0.03 1 262 . 28 LEU HB2 H 1.79 0.03 2 263 . 28 LEU HB3 H 1.64 0.03 2 264 . 28 LEU HD1 H 1.00 0.03 2 265 . 28 LEU HD2 H 0.97 0.03 2 266 . 28 LEU C C 177.783 0.3 1 267 . 28 LEU CA C 54.90 0.3 1 268 . 28 LEU CB C 43.20 0.3 1 269 . 28 LEU CD1 C 25.30 0.3 1 270 . 28 LEU CD2 C 23.20 0.3 1 271 . 28 LEU N N 122.10 0.3 1 272 . 29 GLU H H 7.90 0.03 1 273 . 29 GLU HA H 4.44 0.03 1 274 . 29 GLU HB2 H 2.07 0.03 2 275 . 29 GLU HB3 H 2.00 0.03 2 276 . 29 GLU HG2 H 2.23 0.03 2 277 . 29 GLU C C 174.898 0.3 1 278 . 29 GLU CA C 56.40 0.3 1 279 . 29 GLU CB C 31.30 0.3 1 280 . 29 GLU CG C 35.40 0.3 1 281 . 29 GLU N N 116.40 0.3 1 282 . 30 GLY H H 8.949 0.03 1 283 . 30 GLY HA2 H 4.10 0.03 2 284 . 30 GLY HA3 H 3.79 0.03 2 285 . 30 GLY C C 180.551 0.3 1 286 . 30 GLY CA C 45.90 0.3 1 287 . 30 GLY N N 103.583 0.3 1 288 . 31 CYS H H 7.44 0.03 1 289 . 31 CYS HA H 4.84 0.03 1 290 . 31 CYS HB2 H 3.02 0.03 2 291 . 31 CYS HB3 H 2.97 0.03 2 292 . 31 CYS C C 181.71 0.3 1 293 . 31 CYS CA C 55.80 0.3 1 294 . 31 CYS CB C 29.50 0.3 1 295 . 31 CYS N N 114.10 0.3 1 296 . 32 ALA H H 8.40 0.03 1 297 . 32 ALA HA H 4.43 0.03 1 298 . 32 ALA HB H 1.39 0.03 1 299 . 32 ALA C C 176.43 0.3 1 300 . 32 ALA CA C 53.70 0.3 1 301 . 32 ALA CB C 19.30 0.3 1 302 . 32 ALA N N 122.30 0.3 1 303 . 33 CYS H H 7.84 0.03 1 304 . 33 CYS HA H 4.53 0.03 1 305 . 33 CYS HB2 H 3.17 0.03 2 306 . 33 CYS HB3 H 3.10 0.03 2 307 . 33 CYS C C 180.696 0.3 1 308 . 33 CYS CA C 56.30 0.3 1 309 . 33 CYS CB C 25.30 0.3 1 310 . 33 CYS N N 117.40 0.3 1 311 . 34 THR H H 6.85 0.03 1 312 . 34 THR HA H 4.99 0.03 1 313 . 34 THR HB H 4.62 0.03 1 314 . 34 THR HG2 H 1.23 0.03 1 315 . 34 THR CA C 59.00 0.3 1 316 . 34 THR CB C 68.00 0.3 1 317 . 34 THR CG2 C 22.90 0.3 1 318 . 34 THR N N 108.70 0.3 1 319 . 35 PRO HA H 2.39 0.03 1 320 . 35 PRO HD2 H 4.43 0.03 2 321 . 35 PRO HD3 H 3.87 0.03 2 322 . 35 PRO C C 177.45 0.3 1 323 . 35 PRO CA C 65.30 0.3 1 324 . 35 PRO CD C 49.80 0.3 1 325 . 36 GLU H H 8.28 0.03 1 326 . 36 GLU HA H 3.64 0.03 1 327 . 36 GLU HB2 H 2.00 0.03 2 328 . 36 GLU HB3 H 1.87 0.03 2 329 . 36 GLU HG2 H 2.21 0.03 2 330 . 36 GLU CA C 60.20 0.3 1 331 . 36 GLU CB C 28.90 0.3 1 332 . 36 GLU CG C 36.30 0.3 1 333 . 36 GLU N N 114.40 0.3 1 334 . 37 ARG H H 7.22 0.03 1 335 . 37 ARG HA H 4.06 0.03 1 336 . 37 ARG HB2 H 1.97 0.03 2 337 . 37 ARG HB3 H 1.89 0.03 2 338 . 37 ARG HG2 H 1.99 0.03 2 339 . 37 ARG HG3 H 1.64 0.03 2 340 . 37 ARG HD2 H 3.37 0.03 2 341 . 37 ARG C C 174.432 0.3 1 342 . 37 ARG CA C 58.40 0.3 1 343 . 37 ARG CB C 30.70 0.3 1 344 . 37 ARG CG C 27.10 0.3 1 345 . 37 ARG CD C 42.90 0.3 1 346 . 37 ARG N N 119.00 0.3 1 347 . 38 MET H H 8.58 0.03 1 348 . 38 MET HA H 3.95 0.03 1 349 . 38 MET C C 175.768 0.3 1 350 . 38 MET CA C 56.40 0.3 1 351 . 38 MET CE C 15.40 0.3 1 352 . 38 MET N N 119.80 0.3 1 353 . 39 ALA H H 8.48 0.03 1 354 . 39 ALA HA H 4.65 0.03 1 355 . 39 ALA HB H 1.40 0.03 1 356 . 39 ALA C C 183.432 0.3 1 357 . 39 ALA CA C 54.60 0.3 1 358 . 39 ALA CB C 19.90 0.3 1 359 . 39 ALA N N 121.30 0.3 1 360 . 40 GLU H H 8.81 0.03 1 361 . 40 GLU HA H 4.12 0.03 1 362 . 40 GLU HB2 H 2.23 0.03 2 363 . 40 GLU HG2 H 2.43 0.03 2 364 . 40 GLU HG3 H 2.37 0.03 2 365 . 40 GLU CA C 59.00 0.3 1 366 . 40 GLU CB C 29.50 0.3 1 367 . 40 GLU CG C 35.70 0.3 1 368 . 40 GLU N N 124.70 0.3 1 369 . 41 ALA H H 7.48 0.03 1 370 . 41 ALA HA H 4.48 0.03 1 371 . 41 ALA HB H 1.78 0.03 1 372 . 41 ALA C C 179.429 0.3 1 373 . 41 ALA CA C 51.90 0.3 1 374 . 41 ALA CB C 19.90 0.3 1 375 . 41 ALA N N 117.20 0.3 1 376 . 42 GLY H H 7.69 0.03 1 377 . 42 GLY HA2 H 4.27 0.03 2 378 . 42 GLY HA3 H 3.04 0.03 2 379 . 42 GLY CA C 44.40 0.3 1 380 . 42 GLY N N 102.50 0.3 1 381 . 43 PHE H H 7.99 0.03 1 382 . 43 PHE HA H 4.86 0.03 1 383 . 43 PHE HB2 H 2.77 0.03 2 384 . 43 PHE HB3 H 2.60 0.03 2 385 . 43 PHE HD1 H 7.20 0.03 1 386 . 43 PHE HD2 H 7.20 0.03 1 387 . 43 PHE HE1 H 7.28 0.03 1 388 . 43 PHE HE2 H 7.28 0.03 1 389 . 43 PHE HZ H 6.81 0.03 1 390 . 43 PHE C C 180.069 0.3 1 391 . 43 PHE CA C 59.90 0.3 1 392 . 43 PHE CB C 41.10 0.3 1 393 . 43 PHE CD1 C 131.90 0.3 1 394 . 43 PHE CD2 C 131.90 0.3 1 395 . 43 PHE CE1 C 130.10 0.3 1 396 . 43 PHE CE2 C 130.10 0.3 1 397 . 43 PHE CZ C 128.60 0.3 1 398 . 43 PHE N N 118.00 0.3 1 399 . 44 ILE H H 8.57 0.03 1 400 . 44 ILE HA H 4.25 0.03 1 401 . 44 ILE HB H 1.85 0.03 1 402 . 44 ILE HG12 H 1.22 0.03 1 403 . 44 ILE HG13 H 1.55 0.03 2 404 . 44 ILE HG2 H 0.92 0.03 1 405 . 44 ILE HD1 H 0.83 0.03 1 406 . 44 ILE C C 179.955 0.3 1 407 . 44 ILE CA C 59.00 0.3 1 408 . 44 ILE CB C 41.10 0.3 1 409 . 44 ILE CG1 C 26.20 0.3 1 410 . 44 ILE CG2 C 18.70 0.3 1 411 . 44 ILE CD1 C 13.60 0.3 1 412 . 44 ILE N N 110.80 0.3 1 413 . 45 HIS H H 7.32 0.03 1 414 . 45 HIS HA H 4.34 0.03 1 415 . 45 HIS HB2 H 2.83 0.03 2 416 . 45 HIS HB3 H 0.70 0.03 2 417 . 45 HIS HD2 H 7.60 0.03 1 418 . 45 HIS HE1 H 8.07 0.03 1 419 . 45 HIS C C 179.329 0.3 1 420 . 45 HIS CA C 53.40 0.3 1 421 . 45 HIS CB C 31.60 0.3 1 422 . 45 HIS CD2 C 115.80 0.3 1 423 . 45 HIS CE1 C 138.80 0.3 1 424 . 45 HIS N N 125.20 0.3 1 425 . 46 CYS H H 8.90 0.03 1 426 . 46 CYS HA H 4.81 0.03 1 427 . 46 CYS HB2 H 2.74 0.03 2 428 . 46 CYS HB3 H 2.60 0.03 2 429 . 46 CYS CA C 54.00 0.3 1 430 . 46 CYS CB C 28.00 0.3 1 431 . 46 CYS N N 126.50 0.3 1 432 . 47 PRO HA H 4.54 0.03 1 433 . 47 PRO C C 176.844 0.3 1 434 . 48 THR H H 7.58 0.03 1 435 . 48 THR HA H 4.63 0.03 1 436 . 48 THR HB H 4.57 0.03 1 437 . 48 THR HG2 H 1.28 0.03 1 438 . 48 THR CA C 59.00 0.3 1 439 . 48 THR CB C 71.60 0.3 1 440 . 48 THR CG2 C 21.60 0.3 1 441 . 48 THR N N 110.24 0.3 1 442 . 49 GLU HA H 3.96 0.03 1 443 . 49 GLU C C 177.119 0.3 1 444 . 50 ASN H H 8.06 0.03 1 445 . 50 ASN HA H 4.74 0.03 1 446 . 50 ASN HB2 H 2.83 0.03 2 447 . 50 ASN HB3 H 2.65 0.03 2 448 . 50 ASN C C 179.64 0.3 1 449 . 50 ASN CA C 53.50 0.3 1 450 . 50 ASN CB C 39.30 0.3 1 451 . 50 ASN N N 112.80 0.3 1 452 . 51 GLU H H 7.86 0.03 1 453 . 51 GLU HA H 5.03 0.03 1 454 . 51 GLU HB2 H 2.53 0.03 2 455 . 51 GLU HB3 H 1.79 0.03 2 456 . 51 GLU HG2 H 2.33 0.03 2 457 . 51 GLU HG3 H 2.00 0.03 2 458 . 51 GLU CA C 53.40 0.3 1 459 . 51 GLU CB C 29.50 0.3 1 460 . 51 GLU CG C 35.10 0.3 1 461 . 51 GLU N N 118.70 0.3 1 462 . 52 PRO HA H 4.61 0.03 1 463 . 52 PRO HB2 H 2.46 0.03 2 464 . 52 PRO HB3 H 2.01 0.03 2 465 . 52 PRO HG2 H 1.98 0.03 2 466 . 52 PRO HD2 H 3.82 0.03 2 467 . 52 PRO HD3 H 3.36 0.03 2 468 . 52 PRO CA C 64.40 0.3 1 469 . 52 PRO CB C 31.90 0.3 1 470 . 52 PRO CG C 27.10 0.3 1 471 . 52 PRO CD C 50.40 0.3 1 472 . 53 ASP H H 8.62 0.03 1 473 . 53 ASP HA H 4.72 0.03 1 474 . 53 ASP HB2 H 3.08 0.03 2 475 . 53 ASP HB3 H 2.14 0.03 2 476 . 53 ASP C C 181.311 0.3 1 477 . 53 ASP CA C 51.90 0.3 1 478 . 53 ASP CB C 39.90 0.3 1 479 . 53 ASP N N 118.50 0.3 1 480 . 54 LEU H H 6.94 0.03 1 481 . 54 LEU HA H 4.33 0.03 1 482 . 54 LEU HD1 H 1.00 0.03 2 483 . 54 LEU HD2 H 0.91 0.03 2 484 . 54 LEU C C 179.655 0.3 1 485 . 54 LEU CA C 57.00 0.3 1 486 . 54 LEU CB C 40.521 0.3 1 487 . 54 LEU CD1 C 25.60 0.3 1 488 . 54 LEU CD2 C 24.70 0.3 1 489 . 54 LEU N N 119.00 0.3 1 490 . 55 ALA H H 8.91 0.03 1 491 . 55 ALA HA H 5.51 0.03 1 492 . 55 ALA HB H 1.14 0.03 1 493 . 55 ALA C C 179.433 0.3 1 494 . 55 ALA CA C 49.50 0.3 1 495 . 55 ALA CB C 22.60 0.3 1 496 . 55 ALA N N 129.60 0.3 1 497 . 56 GLN H H 9.07 0.03 1 498 . 56 GLN HA H 5.70 0.03 1 499 . 56 GLN HB2 H 2.01 0.03 2 500 . 56 GLN HB3 H 1.78 0.03 2 501 . 56 GLN HG2 H 2.10 0.03 2 502 . 56 GLN HG3 H 1.97 0.03 2 503 . 56 GLN C C 179.008 0.3 1 504 . 56 GLN CA C 52.80 0.3 1 505 . 56 GLN CB C 35.10 0.3 1 506 . 56 GLN CG C 33.70 0.3 1 507 . 56 GLN N N 120.00 0.3 1 508 . 57 CYS H H 8.53 0.03 1 509 . 57 CYS HA H 4.12 0.03 1 510 . 57 CYS HB2 H 3.04 0.03 2 511 . 57 CYS HB3 H 1.76 0.03 2 512 . 57 CYS C C 177.114 0.3 1 513 . 57 CYS CA C 58.70 0.3 1 514 . 57 CYS CB C 30.40 0.3 1 515 . 57 CYS N N 129.80 0.3 1 516 . 58 PHE H H 8.49 0.03 1 517 . 58 PHE HA H 4.04 0.03 1 518 . 58 PHE HB2 H 2.98 0.03 2 519 . 58 PHE HB3 H 2.56 0.03 2 520 . 58 PHE HE1 H 5.18 0.03 1 521 . 58 PHE HE2 H 5.18 0.03 1 522 . 58 PHE HZ H 6.58 0.03 1 523 . 58 PHE CA C 58.10 0.3 1 524 . 58 PHE CB C 37.80 0.3 1 525 . 58 PHE N N 128.80 0.3 1 526 . 59 PHE H H 8.94 0.03 1 527 . 59 PHE HA H 3.02 0.03 1 528 . 59 PHE HB2 H 2.44 0.03 2 529 . 59 PHE HB3 H 0.63 0.03 2 530 . 59 PHE HD1 H 6.95 0.03 1 531 . 59 PHE HD2 H 6.95 0.03 1 532 . 59 PHE HE1 H 7.49 0.03 1 533 . 59 PHE HE2 H 7.49 0.03 1 534 . 59 PHE HZ H 7.52 0.03 1 535 . 59 PHE C C 180.406 0.3 1 536 . 59 PHE CA C 59.90 0.3 1 537 . 59 PHE CB C 41.10 0.3 1 538 . 59 PHE CD1 C 131.00 0.3 1 539 . 59 PHE CD2 C 131.00 0.3 1 540 . 59 PHE CE1 C 131.60 0.3 1 541 . 59 PHE CE2 C 131.60 0.3 1 542 . 59 PHE CZ C 130.40 0.3 1 543 . 59 PHE N N 126.50 0.3 1 544 . 60 CYS H H 9.08 0.03 1 545 . 60 CYS HA H 4.87 0.03 1 546 . 60 CYS HB2 H 3.43 0.03 2 547 . 60 CYS HB3 H 3.38 0.03 2 548 . 60 CYS C C 177.165 0.3 1 549 . 60 CYS CA C 58.10 0.3 1 550 . 60 CYS CB C 30.70 0.3 1 551 . 60 CYS N N 117.20 0.3 1 552 . 61 PHE H H 6.93 0.03 1 553 . 61 PHE HA H 4.20 0.03 1 554 . 61 PHE HB2 H 3.22 0.03 2 555 . 61 PHE HD1 H 6.74 0.03 1 556 . 61 PHE HD2 H 6.74 0.03 1 557 . 61 PHE HE1 H 7.24 0.03 1 558 . 61 PHE HE2 H 7.24 0.03 1 559 . 61 PHE HZ H 6.94 0.03 1 560 . 61 PHE C C 180.463 0.3 1 561 . 61 PHE CA C 60.50 0.3 1 562 . 61 PHE CB C 35.00 0.3 1 563 . 61 PHE CD1 C 130.40 0.3 1 564 . 61 PHE CD2 C 130.40 0.3 1 565 . 61 PHE CE1 C 131.60 0.3 1 566 . 61 PHE CE2 C 131.60 0.3 1 567 . 61 PHE CZ C 128.90 0.3 1 568 . 61 PHE N N 115.60 0.3 1 569 . 62 LYS H H 8.11 0.03 1 570 . 62 LYS HA H 4.41 0.03 1 571 . 62 LYS HB2 H 2.16 0.03 2 572 . 62 LYS HB3 H 1.81 0.03 2 573 . 62 LYS HG2 H 1.45 0.03 2 574 . 62 LYS HD2 H 1.98 0.03 2 575 . 62 LYS HE2 H 3.14 0.03 1 576 . 62 LYS C C 179.225 0.3 1 577 . 62 LYS CA C 56.30 0.3 1 578 . 62 LYS CB C 32.50 0.3 1 579 . 62 LYS CG C 24.40 0.3 1 580 . 62 LYS CD C 27.70 0.3 1 581 . 62 LYS CE C 42.00 0.3 1 582 . 62 LYS N N 122.60 0.3 1 583 . 63 GLU H H 8.64 0.03 1 584 . 63 GLU HA H 5.42 0.03 1 585 . 63 GLU HB2 H 2.04 0.03 2 586 . 63 GLU HB3 H 1.96 0.03 2 587 . 63 GLU HG2 H 2.48 0.03 2 588 . 63 GLU HG3 H 2.15 0.03 2 589 . 63 GLU C C 178.62 0.3 1 590 . 63 GLU CA C 54.30 0.3 1 591 . 63 GLU CB C 31.30 0.3 1 592 . 63 GLU CG C 36.60 0.3 1 593 . 63 GLU N N 126.00 0.3 1 594 . 64 LEU H H 9.26 0.03 1 595 . 64 LEU HA H 4.65 0.03 1 596 . 64 LEU HB2 H 1.44 0.03 2 597 . 64 LEU HB3 H 1.04 0.03 2 598 . 64 LEU HG H 1.31 0.03 1 599 . 64 LEU HD1 H 0.72 0.03 2 600 . 64 LEU HD2 H 0.42 0.03 2 601 . 64 LEU CA C 54.30 0.3 1 602 . 64 LEU CB C 46.80 0.3 1 603 . 64 LEU CG C 27.70 0.3 1 604 . 64 LEU CD1 C 25.00 0.3 1 605 . 64 LEU CD2 C 23.50 0.3 1 606 . 64 LEU N N 123.60 0.3 1 607 . 65 GLU H H 8.35 0.03 1 608 . 65 GLU HA H 4.95 0.03 1 609 . 65 GLU HB2 H 2.32 0.03 2 610 . 65 GLU HB3 H 1.95 0.03 2 611 . 65 GLU HG2 H 2.15 0.03 2 612 . 65 GLU HG3 H 2.05 0.03 2 613 . 65 GLU C C 179.966 0.3 1 614 . 65 GLU CA C 53.40 0.3 1 615 . 65 GLU CB C 31.90 0.3 1 616 . 65 GLU CG C 34.00 0.3 1 617 . 65 GLU N N 121.30 0.3 1 618 . 66 GLY H H 9.44 0.03 1 619 . 66 GLY HA2 H 3.89 0.03 2 620 . 66 GLY HA3 H 3.78 0.03 2 621 . 66 GLY C C 179.174 0.3 1 622 . 66 GLY CA C 46.20 0.3 1 623 . 66 GLY N N 112.60 0.3 1 624 . 67 TRP H H 8.01 0.03 1 625 . 67 TRP HA H 4.09 0.03 1 626 . 67 TRP HB2 H 3.56 0.03 2 627 . 67 TRP HB3 H 2.98 0.03 2 628 . 67 TRP HD1 H 7.76 0.03 1 629 . 67 TRP HE1 H 8.87 0.03 1 630 . 67 TRP HE3 H 7.92 0.03 1 631 . 67 TRP HZ2 H 6.22 0.03 1 632 . 67 TRP HZ3 H 6.48 0.03 1 633 . 67 TRP HH2 H 6.59 0.03 1 634 . 67 TRP C C 179.174 0.3 1 635 . 67 TRP CA C 57.00 0.3 1 636 . 67 TRP CB C 29.80 0.3 1 637 . 67 TRP CD1 C 128.30 0.3 1 638 . 67 TRP CE3 C 122.10 0.3 1 639 . 67 TRP CZ2 C 114.00 0.3 1 640 . 67 TRP CZ3 C 119.70 0.3 1 641 . 67 TRP CH2 C 123.00 0.3 1 642 . 67 TRP N N 122.30 0.3 1 643 . 67 TRP NE1 N 126.00 0.3 1 644 . 68 GLU H H 8.92 0.03 1 645 . 68 GLU HA H 4.60 0.03 1 646 . 68 GLU CA C 53.10 0.3 1 647 . 68 GLU N N 123.90 0.3 1 648 . 69 PRO HA H 3.26 0.03 1 649 . 69 PRO HB2 H 2.00 0.03 2 650 . 69 PRO HB3 H 1.73 0.03 2 651 . 69 PRO HG2 H 1.91 0.03 2 652 . 69 PRO HG3 H 1.72 0.03 2 653 . 69 PRO HD2 H 3.71 0.03 2 654 . 69 PRO HD3 H 3.30 0.03 2 655 . 69 PRO C C 178.651 0.3 1 656 . 69 PRO CA C 65.00 0.3 1 657 . 69 PRO CB C 31.60 0.3 1 658 . 69 PRO CG C 27.10 0.3 1 659 . 69 PRO CD C 49.50 0.3 1 660 . 70 ASP H H 7.63 0.03 1 661 . 70 ASP HA H 4.81 0.03 1 662 . 70 ASP HB2 H 2.79 0.03 2 663 . 70 ASP HB3 H 2.58 0.03 2 664 . 70 ASP CA C 53.40 0.3 1 665 . 70 ASP CB C 40.20 0.3 1 666 . 70 ASP N N 111.00 0.3 1 667 . 71 ASP H H 7.87 0.03 1 668 . 71 ASP HA H 4.44 0.03 1 669 . 71 ASP HB2 H 3.32 0.03 2 670 . 71 ASP HB3 H 2.43 0.03 2 671 . 71 ASP C C 180.965 0.3 1 672 . 71 ASP CA C 55.20 0.3 1 673 . 71 ASP CB C 41.40 0.3 1 674 . 71 ASP N N 123.10 0.3 1 675 . 72 ASP H H 8.81 0.03 1 676 . 72 ASP HA H 4.99 0.03 1 677 . 72 ASP HB2 H 3.06 0.03 2 678 . 72 ASP HB3 H 2.65 0.03 2 679 . 72 ASP CA C 50.10 0.3 1 680 . 72 ASP CB C 42.30 0.3 1 681 . 72 ASP N N 120.80 0.3 1 682 . 73 PRO HA H 4.50 0.03 1 683 . 73 PRO HB2 H 2.78 0.03 2 684 . 73 PRO HB3 H 2.01 0.03 2 685 . 73 PRO HD2 H 4.54 0.03 2 686 . 73 PRO HD3 H 3.82 0.03 2 687 . 73 PRO C C 175.794 0.3 1 688 . 73 PRO CA C 65.90 0.3 1 689 . 73 PRO CB C 34.00 0.3 1 690 . 74 ILE H H 8.09 0.03 1 691 . 74 ILE HA H 3.98 0.03 1 692 . 74 ILE HB H 2.24 0.03 1 693 . 74 ILE HG13 H 1.34 0.03 2 694 . 74 ILE HG2 H 0.97 0.03 1 695 . 74 ILE HD1 H 0.98 0.03 1 696 . 74 ILE CA C 64.40 0.3 1 697 . 74 ILE CB C 36.60 0.3 1 698 . 74 ILE CG1 C 29.10 0.3 1 699 . 74 ILE CG2 C 17.50 0.3 1 700 . 74 ILE CD1 C 12.40 0.3 1 701 . 74 ILE N N 116.70 0.3 1 702 . 75 GLU H H 7.54 0.03 1 703 . 75 GLU HA H 4.08 0.03 1 704 . 75 GLU HB2 H 2.22 0.03 2 705 . 75 GLU HG2 H 2.27 0.03 2 706 . 75 GLU C C 174.091 0.3 1 707 . 75 GLU CA C 58.40 0.3 1 708 . 75 GLU CB C 29.20 0.3 1 709 . 75 GLU CG C 35.70 0.3 1 710 . 75 GLU N N 120.30 0.3 1 711 . 76 GLU H H 8.74 0.03 1 712 . 76 GLU HA H 4.15 0.03 1 713 . 76 GLU HB2 H 2.12 0.03 2 714 . 76 GLU HB3 H 2.05 0.03 2 715 . 76 GLU C C 176.042 0.3 1 716 . 76 GLU CA C 58.40 0.3 1 717 . 76 GLU CB C 29.20 0.3 1 718 . 76 GLU N N 117.70 0.3 1 719 . 77 HIS H H 8.44 0.03 1 720 . 77 HIS HA H 4.38 0.03 1 721 . 77 HIS HB2 H 3.90 0.03 2 722 . 77 HIS HB3 H 3.75 0.03 2 723 . 77 HIS HD2 H 7.05 0.03 1 724 . 77 HIS HE1 H 8.67 0.03 1 725 . 77 HIS C C 177.481 0.3 1 726 . 77 HIS CA C 58.10 0.3 1 727 . 77 HIS CB C 30.10 0.3 1 728 . 77 HIS CD2 C 124.70 0.3 1 729 . 77 HIS CE1 C 142.20 0.3 1 730 . 77 HIS N N 119.80 0.3 1 731 . 78 LYS H H 8.27 0.03 1 732 . 78 LYS HA H 3.72 0.03 1 733 . 78 LYS HB2 H 1.87 0.03 2 734 . 78 LYS HG2 H 1.63 0.03 2 735 . 78 LYS HG3 H 1.46 0.03 2 736 . 78 LYS HD2 H 1.65 0.03 2 737 . 78 LYS CA C 59.30 0.3 1 738 . 78 LYS CB C 32.60 0.3 1 739 . 78 LYS CG C 25.60 0.3 1 740 . 78 LYS CD C 29.50 0.3 1 741 . 78 LYS CE C 41.40 0.3 1 742 . 78 LYS N N 116.90 0.3 1 743 . 79 LYS H H 7.88 0.03 1 744 . 79 LYS HA H 3.89 0.03 1 745 . 79 LYS HB2 H 1.76 0.03 2 746 . 79 LYS HB3 H 1.59 0.03 2 747 . 79 LYS HG2 H 1.35 0.03 2 748 . 79 LYS HG3 H 0.90 0.03 2 749 . 79 LYS HD2 H 1.54 0.03 2 750 . 79 LYS C C 175.732 0.3 1 751 . 79 LYS CA C 58.70 0.3 1 752 . 79 LYS CB C 32.50 0.3 1 753 . 79 LYS CG C 24.40 0.3 1 754 . 79 LYS CD C 29.20 0.3 1 755 . 79 LYS CE C 41.40 0.3 1 756 . 79 LYS N N 117.20 0.3 1 757 . 80 HIS H H 7.67 0.03 1 758 . 80 HIS HA H 4.67 0.03 1 759 . 80 HIS HB2 H 3.18 0.03 2 760 . 80 HIS HB3 H 2.88 0.03 2 761 . 80 HIS HD2 H 7.28 0.03 1 762 . 80 HIS C C 178.853 0.3 1 763 . 80 HIS CA C 57.60 0.3 1 764 . 80 HIS CB C 32.80 0.3 1 765 . 80 HIS CD2 C 120.60 0.3 1 766 . 80 HIS N N 113.80 0.3 1 767 . 81 SER H H 8.36 0.03 1 768 . 81 SER HA H 4.73 0.03 1 769 . 81 SER HB2 H 4.45 0.03 2 770 . 81 SER HB3 H 3.42 0.03 2 771 . 81 SER CA C 55.20 0.3 1 772 . 81 SER CB C 61.70 0.3 1 773 . 81 SER N N 118.20 0.3 1 774 . 82 SER HA H 4.17 0.03 1 775 . 82 SER HB2 H 4.08 0.03 2 776 . 82 SER HB3 H 3.94 0.03 2 777 . 82 SER CA C 60.80 0.3 1 778 . 82 SER CB C 62.60 0.3 1 779 . 83 GLY C C 180.706 0.3 1 780 . 84 CYS H H 7.52 0.03 1 781 . 84 CYS HA H 4.09 0.03 1 782 . 84 CYS HB2 H 3.10 0.03 2 783 . 84 CYS HB3 H 2.97 0.03 2 784 . 84 CYS CA C 61.10 0.3 1 785 . 84 CYS CB C 29.20 0.3 1 786 . 84 CYS N N 123.90 0.3 1 787 . 85 ALA H H 9.22 0.03 1 788 . 85 ALA HA H 4.04 0.03 1 789 . 85 ALA HB H 1.46 0.03 1 790 . 85 ALA CA C 54.60 0.3 1 791 . 85 ALA CB C 17.80 0.3 1 792 . 85 ALA N N 134.30 0.3 1 793 . 86 PHE H H 7.64 0.03 1 794 . 86 PHE HA H 3.59 0.03 1 795 . 86 PHE HB2 H 2.87 0.03 2 796 . 86 PHE HB3 H 2.05 0.03 2 797 . 86 PHE HD1 H 6.89 0.03 1 798 . 86 PHE HD2 H 6.89 0.03 1 799 . 86 PHE HE1 H 7.42 0.03 1 800 . 86 PHE HE2 H 7.42 0.03 1 801 . 86 PHE C C 177.652 0.3 1 802 . 86 PHE CA C 60.80 0.3 1 803 . 86 PHE CB C 38.70 0.3 1 804 . 86 PHE CD1 C 131.00 0.3 1 805 . 86 PHE CD2 C 131.00 0.3 1 806 . 86 PHE CE1 C 130.10 0.3 1 807 . 86 PHE CE2 C 130.10 0.3 1 808 . 86 PHE N N 119.30 0.3 1 809 . 87 LEU H H 7.11 0.03 1 810 . 87 LEU HA H 3.73 0.03 1 811 . 87 LEU HB2 H 1.71 0.03 2 812 . 87 LEU HB3 H 1.33 0.03 2 813 . 87 LEU HG H 1.43 0.03 1 814 . 87 LEU HD1 H 0.68 0.03 2 815 . 87 LEU HD2 H 0.55 0.03 2 816 . 87 LEU C C 176.907 0.3 1 817 . 87 LEU CA C 56.00 0.3 1 818 . 87 LEU CB C 41.40 0.3 1 819 . 87 LEU CG C 26.50 0.3 1 820 . 87 LEU CD1 C 25.60 0.3 1 821 . 87 LEU CD2 C 21.70 0.3 1 822 . 87 LEU N N 115.90 0.3 1 823 . 88 SER H H 7.15 0.03 1 824 . 88 SER HA H 4.36 0.03 1 825 . 88 SER HB2 H 3.85 0.03 2 826 . 88 SER C C 180.701 0.3 1 827 . 88 SER CA C 58.10 0.3 1 828 . 88 SER CB C 63.80 0.3 1 829 . 88 SER N N 111.00 0.3 1 830 . 89 VAL H H 7.06 0.03 1 831 . 89 VAL HA H 3.75 0.03 1 832 . 89 VAL HB H 1.89 0.03 1 833 . 89 VAL HG1 H 0.98 0.03 2 834 . 89 VAL HG2 H 0.96 0.03 2 835 . 89 VAL CA C 63.50 0.3 1 836 . 89 VAL CB C 31.00 0.3 1 837 . 89 VAL CG1 C 21.70 0.3 1 838 . 89 VAL CG2 C 22.30 0.3 1 839 . 89 VAL N N 123.40 0.3 1 840 . 90 LYS HA H 4.34 0.03 1 841 . 91 LYS H H 7.17 0.03 1 842 . 91 LYS HA H 4.43 0.03 1 843 . 91 LYS HB2 H 1.91 0.03 2 844 . 91 LYS HB3 H 1.51 0.03 2 845 . 91 LYS HG2 H 1.44 0.03 2 846 . 91 LYS HG3 H 1.36 0.03 2 847 . 91 LYS HD2 H 1.64 0.03 2 848 . 91 LYS HD3 H 1.56 0.03 2 849 . 91 LYS CA C 55.20 0.3 1 850 . 91 LYS CB C 34.80 0.3 1 851 . 91 LYS CG C 25.00 0.3 1 852 . 91 LYS CD C 29.80 0.3 1 853 . 91 LYS CE C 41.60 0.3 1 854 . 91 LYS N N 118.70 0.3 1 855 . 92 GLN H H 8.59 0.03 1 856 . 92 GLN HA H 4.36 0.03 1 857 . 92 GLN HB2 H 2.41 0.03 2 858 . 92 GLN HB3 H 1.93 0.03 2 859 . 92 GLN HG2 H 2.54 0.03 2 860 . 92 GLN C C 177.44 0.3 1 861 . 92 GLN CA C 55.20 0.3 1 862 . 92 GLN CB C 28.90 0.3 1 863 . 92 GLN CG C 33.90 0.3 1 864 . 92 GLN N N 118.50 0.3 1 865 . 93 PHE H H 8.70 0.03 1 866 . 93 PHE HA H 4.11 0.03 1 867 . 93 PHE HB2 H 3.48 0.03 2 868 . 93 PHE HB3 H 2.99 0.03 2 869 . 93 PHE HD1 H 7.18 0.03 1 870 . 93 PHE HD2 H 7.18 0.03 1 871 . 93 PHE HE1 H 6.90 0.03 1 872 . 93 PHE HE2 H 6.90 0.03 1 873 . 93 PHE HZ H 6.74 0.03 1 874 . 93 PHE C C 178.382 0.3 1 875 . 93 PHE CA C 62.00 0.3 1 876 . 93 PHE CB C 39.60 0.3 1 877 . 93 PHE CD1 C 131.60 0.3 1 878 . 93 PHE CD2 C 131.60 0.3 1 879 . 93 PHE CE1 C 130.40 0.3 1 880 . 93 PHE CE2 C 130.40 0.3 1 881 . 93 PHE CZ C 129.20 0.3 1 882 . 93 PHE N N 122.80 0.3 1 883 . 94 GLU H H 9.25 0.03 1 884 . 94 GLU HA H 3.72 0.03 1 885 . 94 GLU HB2 H 2.00 0.03 2 886 . 94 GLU HG2 H 2.31 0.03 2 887 . 94 GLU C C 177.352 0.3 1 888 . 94 GLU CA C 59.20 0.3 1 889 . 94 GLU CB C 28.90 0.3 1 890 . 94 GLU CG C 37.50 0.3 1 891 . 94 GLU N N 111.30 0.3 1 892 . 95 GLU H H 7.86 0.03 1 893 . 95 GLU HA H 4.27 0.03 1 894 . 95 GLU HB2 H 2.24 0.03 2 895 . 95 GLU HG2 H 2.27 0.03 2 896 . 95 GLU C C 177.393 0.3 1 897 . 95 GLU CA C 55.50 0.3 1 898 . 95 GLU CB C 31.00 0.3 1 899 . 95 GLU CG C 36.90 0.3 1 900 . 95 GLU N N 115.70 0.3 1 901 . 96 LEU H H 7.42 0.03 1 902 . 96 LEU HA H 4.17 0.03 1 903 . 96 LEU HB2 H 1.82 0.03 2 904 . 96 LEU HB3 H 1.31 0.03 2 905 . 96 LEU HG H 1.78 0.03 1 906 . 96 LEU HD1 H 0.88 0.03 2 907 . 96 LEU HD2 H 0.79 0.03 2 908 . 96 LEU C C 177.631 0.3 1 909 . 96 LEU CA C 55.50 0.3 1 910 . 96 LEU CB C 42.60 0.3 1 911 . 96 LEU CG C 26.50 0.3 1 912 . 96 LEU CD1 C 25.90 0.3 1 913 . 96 LEU CD2 C 23.80 0.3 1 914 . 96 LEU N N 121.30 0.3 1 915 . 97 THR H H 8.64 0.03 1 916 . 97 THR HB H 4.62 0.03 1 917 . 97 THR HG2 H 1.17 0.03 1 918 . 97 THR C C 178.094 0.3 1 919 . 97 THR CA C 59.951 0.3 1 920 . 97 THR CB C 70.70 0.3 1 921 . 97 THR CG2 C 22.00 0.3 1 922 . 97 THR N N 110.80 0.3 1 923 . 98 LEU H H 8.71 0.03 1 924 . 98 LEU HA H 3.76 0.03 1 925 . 98 LEU HB2 H 1.54 0.03 2 926 . 98 LEU HB3 H 0.96 0.03 2 927 . 98 LEU HG H 0.93 0.03 1 928 . 98 LEU HD1 H 0.20 0.03 2 929 . 98 LEU HD2 H 0.09 0.03 2 930 . 98 LEU CA C 57.00 0.3 1 931 . 98 LEU CB C 40.50 0.3 1 932 . 98 LEU CG C 27.10 0.3 1 933 . 98 LEU CD1 C 22.90 0.3 1 934 . 98 LEU CD2 C 23.80 0.3 1 935 . 98 LEU N N 123.40 0.3 1 936 . 99 GLY H H 9.02 0.03 1 937 . 99 GLY HA2 H 3.92 0.03 2 938 . 99 GLY HA3 H 3.75 0.03 2 939 . 99 GLY CA C 46.80 0.3 1 940 . 99 GLY N N 104.10 0.3 1 941 . 100 GLU H H 7.81 0.03 1 942 . 100 GLU HA H 3.97 0.03 1 943 . 100 GLU HB2 H 2.37 0.03 2 944 . 100 GLU HB3 H 1.91 0.03 2 945 . 100 GLU HG2 H 2.29 0.03 2 946 . 100 GLU C C 175.162 0.3 1 947 . 100 GLU CA C 58.70 0.3 1 948 . 100 GLU CB C 30.70 0.3 1 949 . 100 GLU CG C 37.20 0.3 1 950 . 100 GLU N N 122.10 0.3 1 951 . 101 PHE H H 9.09 0.03 1 952 . 101 PHE HA H 4.00 0.03 1 953 . 101 PHE HB2 H 2.87 0.03 2 954 . 101 PHE HD1 H 6.48 0.03 1 955 . 101 PHE HD2 H 6.48 0.03 1 956 . 101 PHE HE1 H 5.49 0.03 1 957 . 101 PHE HE2 H 5.49 0.03 1 958 . 101 PHE HZ H 5.68 0.03 1 959 . 101 PHE C C 178.237 0.3 1 960 . 101 PHE CA C 61.40 0.3 1 961 . 101 PHE CB C 39.30 0.3 1 962 . 101 PHE CD1 C 130.10 0.3 1 963 . 101 PHE CD2 C 130.10 0.3 1 964 . 101 PHE CE1 C 130.10 0.3 1 965 . 101 PHE CE2 C 130.10 0.3 1 966 . 101 PHE CZ C 128.00 0.3 1 967 . 101 PHE N N 121.20 0.3 1 968 . 102 LEU H H 8.92 0.03 1 969 . 102 LEU HA H 3.71 0.03 1 970 . 102 LEU HB2 H 1.92 0.03 2 971 . 102 LEU HB3 H 1.49 0.03 2 972 . 102 LEU HG H 2.01 0.03 1 973 . 102 LEU HD1 H 0.97 0.03 2 974 . 102 LEU HD2 H 0.95 0.03 2 975 . 102 LEU C C 174.324 0.3 1 976 . 102 LEU CA C 57.90 0.3 1 977 . 102 LEU CB C 40.50 0.3 1 978 . 102 LEU CG C 27.10 0.3 1 979 . 102 LEU CD1 C 25.30 0.3 1 980 . 102 LEU CD2 C 22.30 0.3 1 981 . 102 LEU N N 118.50 0.3 1 982 . 103 LYS H H 7.32 0.03 1 983 . 103 LYS HA H 4.03 0.03 1 984 . 103 LYS C C 174.929 0.3 1 985 . 103 LYS N N 119.00 0.3 1 986 . 104 LEU H H 7.92 0.03 1 987 . 104 LEU HA H 4.38 0.03 1 988 . 104 LEU HB2 H 2.26 0.03 2 989 . 104 LEU HB3 H 1.74 0.03 2 990 . 104 LEU HG H 1.95 0.03 1 991 . 104 LEU HD1 H 1.03 0.03 2 992 . 104 LEU HD2 H 0.86 0.03 2 993 . 104 LEU C C 179.06 0.3 1 994 . 104 LEU CA C 57.80 0.3 1 995 . 104 LEU CB C 42.00 0.3 1 996 . 104 LEU CG C 27.10 0.3 1 997 . 104 LEU CD1 C 26.20 0.3 1 998 . 104 LEU CD2 C 23.20 0.3 1 999 . 104 LEU N N 121.80 0.3 1 1000 . 105 ASP H H 8.75 0.03 1 1001 . 105 ASP HA H 4.56 0.03 1 1002 . 105 ASP HB2 H 2.38 0.03 2 1003 . 105 ASP HB3 H 1.93 0.03 2 1004 . 105 ASP CA C 57.50 0.3 1 1005 . 105 ASP CB C 41.70 0.3 1 1006 . 105 ASP N N 119.50 0.3 1 1007 . 106 ARG H H 7.79 0.03 1 1008 . 106 ARG HA H 4.12 0.03 1 1009 . 106 ARG HB2 H 2.08 0.03 2 1010 . 106 ARG HB3 H 1.99 0.03 2 1011 . 106 ARG HG2 H 1.93 0.03 2 1012 . 106 ARG HG3 H 1.71 0.03 2 1013 . 106 ARG HD2 H 3.26 0.03 2 1014 . 106 ARG C C 175.447 0.3 1 1015 . 106 ARG CA C 59.00 0.3 1 1016 . 106 ARG CB C 30.10 0.3 1 1017 . 106 ARG CG C 27.40 0.3 1 1018 . 106 ARG CD C 43.50 0.3 1 1019 . 106 ARG N N 118.00 0.3 1 1020 . 107 GLU H H 7.82 0.03 1 1021 . 107 GLU HA H 4.13 0.03 1 1022 . 107 GLU HB2 H 2.39 0.03 2 1023 . 107 GLU HG2 H 2.49 0.03 2 1024 . 107 GLU C C 176.943 0.3 1 1025 . 107 GLU CA C 59.00 0.3 1 1026 . 107 GLU CB C 28.90 0.3 1 1027 . 107 GLU CG C 35.70 0.3 1 1028 . 107 GLU N N 121.30 0.3 1 1029 . 108 ARG H H 8.34 0.03 1 1030 . 108 ARG HA H 3.43 0.03 1 1031 . 108 ARG HB2 H 2.07 0.03 2 1032 . 108 ARG HB3 H 1.06 0.03 2 1033 . 108 ARG HG2 H 1.68 0.03 2 1034 . 108 ARG HG3 H 1.57 0.03 2 1035 . 108 ARG HD2 H 3.19 0.03 2 1036 . 108 ARG HD3 H 2.94 0.03 2 1037 . 108 ARG CA C 59.30 0.3 1 1038 . 108 ARG CB C 29.20 0.3 1 1039 . 108 ARG CG C 28.00 0.3 1 1040 . 108 ARG CD C 43.80 0.3 1 1041 . 108 ARG N N 121.80 0.3 1 1042 . 109 ALA H H 8.09 0.03 1 1043 . 109 ALA HA H 4.04 0.03 1 1044 . 109 ALA HB H 1.53 0.03 1 1045 . 109 ALA C C 173.825 0.3 1 1046 . 109 ALA CA C 54.90 0.3 1 1047 . 109 ALA CB C 17.50 0.3 1 1048 . 109 ALA N N 120.30 0.3 1 1049 . 110 LYS H H 7.69 0.03 1 1050 . 110 LYS HA H 3.98 0.03 1 1051 . 110 LYS HB2 H 2.00 0.03 2 1052 . 110 LYS HG2 H 1.65 0.03 2 1053 . 110 LYS HG3 H 1.44 0.03 2 1054 . 110 LYS HD2 H 1.71 0.03 2 1055 . 110 LYS C C 175.105 0.3 1 1056 . 110 LYS CA C 59.30 0.3 1 1057 . 110 LYS CB C 31.60 0.3 1 1058 . 110 LYS CG C 25.00 0.3 1 1059 . 110 LYS CD C 29.20 0.3 1 1060 . 110 LYS CE C 41.70 0.3 1 1061 . 110 LYS N N 119.30 0.3 1 1062 . 111 ASN H H 8.44 0.03 1 1063 . 111 ASN HA H 4.50 0.03 1 1064 . 111 ASN HB2 H 3.50 0.03 2 1065 . 111 ASN HB3 H 2.84 0.03 2 1066 . 111 ASN C C 176.772 0.3 1 1067 . 111 ASN CA C 54.90 0.3 1 1068 . 111 ASN CB C 37.20 0.3 1 1069 . 111 ASN N N 120.60 0.3 1 1070 . 112 LYS H H 8.33 0.03 1 1071 . 112 LYS HA H 2.97 0.03 1 1072 . 112 LYS HB2 H 1.82 0.03 2 1073 . 112 LYS HB3 H 1.44 0.03 2 1074 . 112 LYS HG2 H 1.03 0.03 2 1075 . 112 LYS HG3 H 0.66 0.03 2 1076 . 112 LYS HD2 H 1.34 0.03 2 1077 . 112 LYS C C 176.581 0.3 1 1078 . 112 LYS CA C 59.00 0.3 1 1079 . 112 LYS CB C 32.20 0.3 1 1080 . 112 LYS CG C 24.20 0.3 1 1081 . 112 LYS CD C 28.60 0.3 1 1082 . 112 LYS CE C 41.70 0.3 1 1083 . 112 LYS N N 123.60 0.3 1 1084 . 113 ILE H H 7.54 0.03 1 1085 . 113 ILE HA H 3.80 0.03 1 1086 . 113 ILE HB H 1.86 0.03 1 1087 . 113 ILE HG12 H 1.20 0.03 1 1088 . 113 ILE HG13 H 1.60 0.03 2 1089 . 113 ILE HG2 H 0.91 0.03 1 1090 . 113 ILE HD1 H 0.82 0.03 1 1091 . 113 ILE CA C 63.50 0.3 1 1092 . 113 ILE CB C 37.80 0.3 1 1093 . 113 ILE CG1 C 28.90 0.3 1 1094 . 113 ILE CG2 C 16.90 0.3 1 1095 . 113 ILE CD1 C 12.70 0.3 1 1096 . 113 ILE N N 118.50 0.3 1 1097 . 114 ALA H H 7.96 0.03 1 1098 . 114 ALA HA H 4.12 0.03 1 1099 . 114 ALA HB H 1.52 0.03 1 1100 . 114 ALA C C 175.312 0.3 1 1101 . 114 ALA CA C 54.60 0.3 1 1102 . 114 ALA CB C 17.80 0.3 1 1103 . 114 ALA N N 123.40 0.3 1 1104 . 115 LYS H H 7.64 0.03 1 1105 . 115 LYS HA H 4.17 0.03 1 1106 . 115 LYS HB2 H 1.84 0.03 2 1107 . 115 LYS HG2 H 1.46 0.03 2 1108 . 115 LYS HD2 H 1.82 0.03 2 1109 . 115 LYS HD3 H 1.61 0.03 2 1110 . 115 LYS C C 176.415 0.3 1 1111 . 115 LYS CA C 57.20 0.3 1 1112 . 115 LYS CB C 31.90 0.3 1 1113 . 115 LYS CG C 24.40 0.3 1 1114 . 115 LYS CD C 28.90 0.3 1 1115 . 115 LYS CE C 42.00 0.3 1 1116 . 115 LYS N N 118.20 0.3 1 1117 . 116 GLU H H 7.94 0.03 1 1118 . 116 GLU HA H 4.16 0.03 1 1119 . 116 GLU HB2 H 2.03 0.03 2 1120 . 116 GLU HG2 H 2.36 0.03 2 1121 . 116 GLU C C 176.87 0.3 1 1122 . 116 GLU CA C 57.60 0.3 1 1123 . 116 GLU CB C 29.50 0.3 1 1124 . 116 GLU CG C 36.20 0.3 1 1125 . 116 GLU N N 118.00 0.3 1 1126 . 117 THR H H 7.93 0.03 1 1127 . 117 THR HA H 4.29 0.03 1 1128 . 117 THR HB H 4.28 0.03 1 1129 . 117 THR HG2 H 1.24 0.03 1 1130 . 117 THR CA C 62.30 0.3 1 1131 . 117 THR CB C 69.40 0.3 1 1132 . 117 THR CG2 C 21.40 0.3 1 1133 . 117 THR N N 112.30 0.3 1 stop_ save_