data_6283 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H and 15N Chemical Shift Assignments for CLP ; _BMRB_accession_number 6283 _BMRB_flat_file_name bmr6283.str _Entry_type original _Submission_date 2004-08-05 _Accession_date 2004-08-05 _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 Liepinsh Edvards . . 2 Rakonjac Marija . . 3 Boissonneault Vincent . . 4 Provost Patrick . . 5 Samuelsson Bengt . . 6 Radmark Olof . . 7 Otting Gottfried . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 840 "15N chemical shifts" 154 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-12-15 original author . stop_ _Original_release_date 2004-12-15 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Letter to the Editor: NMR Structure of Human Coactosin-Like Protein' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Liepinsh Edvards . . 2 Rakonjac Marija . . 3 Boissonneault Vincent . . 4 Provost Patrick . . 5 Samuelsson Bengt . . 6 Radmark Olof . . 7 Otting Gottfried . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 30 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 353 _Page_last 356 _Year 2004 _Details . loop_ _Keyword NMR CLP stop_ save_ ################################## # Molecular system description # ################################## save_molecular_system _Saveframe_category molecular_system _Mol_system_name 'coactosin like protein' _Abbreviation_common 'coactosin like protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'coactosin like protein' $CLP stop_ _System_molecular_weight 16269 _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CLP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'coactosin like protein' _Abbreviation_common 'coactosin like protein' _Molecular_mass 16269 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 145 _Mol_residue_sequence ; GIRMATKIDKEACRAAYNLV RDDGSAVIWVTFKYDGSTIV PGEQGAEYQHFIQQCTDDVR LFAFVRFTTGDAMSKRSKFA LITWIGENVSGLQRAKTGTD KTLVKEVVQNFAKEFVISDR KELEEDFIKSELKKAGGANY DAQTE ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 ILE 3 ARG 4 MET 5 ALA 6 THR 7 LYS 8 ILE 9 ASP 10 LYS 11 GLU 12 ALA 13 CYS 14 ARG 15 ALA 16 ALA 17 TYR 18 ASN 19 LEU 20 VAL 21 ARG 22 ASP 23 ASP 24 GLY 25 SER 26 ALA 27 VAL 28 ILE 29 TRP 30 VAL 31 THR 32 PHE 33 LYS 34 TYR 35 ASP 36 GLY 37 SER 38 THR 39 ILE 40 VAL 41 PRO 42 GLY 43 GLU 44 GLN 45 GLY 46 ALA 47 GLU 48 TYR 49 GLN 50 HIS 51 PHE 52 ILE 53 GLN 54 GLN 55 CYS 56 THR 57 ASP 58 ASP 59 VAL 60 ARG 61 LEU 62 PHE 63 ALA 64 PHE 65 VAL 66 ARG 67 PHE 68 THR 69 THR 70 GLY 71 ASP 72 ALA 73 MET 74 SER 75 LYS 76 ARG 77 SER 78 LYS 79 PHE 80 ALA 81 LEU 82 ILE 83 THR 84 TRP 85 ILE 86 GLY 87 GLU 88 ASN 89 VAL 90 SER 91 GLY 92 LEU 93 GLN 94 ARG 95 ALA 96 LYS 97 THR 98 GLY 99 THR 100 ASP 101 LYS 102 THR 103 LEU 104 VAL 105 LYS 106 GLU 107 VAL 108 VAL 109 GLN 110 ASN 111 PHE 112 ALA 113 LYS 114 GLU 115 PHE 116 VAL 117 ILE 118 SER 119 ASP 120 ARG 121 LYS 122 GLU 123 LEU 124 GLU 125 GLU 126 ASP 127 PHE 128 ILE 129 LYS 130 SER 131 GLU 132 LEU 133 LYS 134 LYS 135 ALA 136 GLY 137 GLY 138 ALA 139 ASN 140 TYR 141 ASP 142 ALA 143 GLN 144 THR 145 GLU 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 6071 CLP 97.93 150 99.30 100.00 2.73e-98 PDB 1T2L "Three Crystal Structures Of Human Coactosin-Like Protein" 97.24 141 99.29 99.29 3.43e-96 PDB 1T3X "Three Crystal Structures Of Human Coactosin-Like Protein" 97.24 141 100.00 100.00 2.49e-97 PDB 1T3Y "Three Crystal Structures Of Human Coactosin-Like Protein" 97.24 141 100.00 100.00 2.49e-97 PDB 1TMW "Solution Structure Of Human Coactosin Like Protein D123n" 97.24 149 99.29 100.00 4.37e-97 PDB 1VFQ "The Crystal Structure Of Human Coactosin-Like Protein At 1.9 A Resolution" 97.93 143 100.00 100.00 1.66e-98 PDB 1WNJ "Nmr Structure Of Human Coactosin-Like Protein" 100.00 145 100.00 100.00 1.03e-100 DBJ BAG38040 "unnamed protein product [Homo sapiens]" 97.93 142 100.00 100.00 1.89e-98 DBJ BAJ20994 "coactosin-like 1 [synthetic construct]" 97.93 142 100.00 100.00 1.89e-98 GB AAA88022 "CLP [Homo sapiens]" 97.93 142 100.00 100.00 1.89e-98 GB AAH10039 "Coactosin-like 1 (Dictyostelium) [Homo sapiens]" 97.93 142 100.00 100.00 1.89e-98 GB AAH10884 "Coactosin-like 1 (Dictyostelium) [Homo sapiens]" 97.93 142 100.00 100.00 1.89e-98 GB AAH16702 "Coactosin-like 1 (Dictyostelium) [Homo sapiens]" 97.93 142 100.00 100.00 1.89e-98 GB AAH42970 "Coactosin-like 1 (Dictyostelium) [Homo sapiens]" 97.93 142 99.30 99.30 7.28e-97 REF NP_001040058 "coactosin-like protein [Bos taurus]" 97.93 142 97.18 97.89 9.50e-95 REF NP_001248084 "coactosin-like protein [Macaca mulatta]" 97.93 142 99.30 100.00 8.18e-98 REF NP_066972 "coactosin-like protein [Homo sapiens]" 97.93 142 100.00 100.00 1.89e-98 REF XP_001499912 "PREDICTED: coactosin-like protein [Equus caballus]" 97.93 142 98.59 99.30 1.39e-96 REF XP_002761262 "PREDICTED: coactosin-like protein isoform X2 [Callithrix jacchus]" 97.93 142 99.30 100.00 1.17e-97 SP Q14019 "RecName: Full=Coactosin-like protein [Homo sapiens]" 97.93 142 100.00 100.00 1.89e-98 SP Q2HJ57 "RecName: Full=Coactosin-like protein [Bos taurus]" 97.93 142 97.18 97.89 9.50e-95 TPG DAA20312 "TPA: coactosin-like protein [Bos taurus]" 97.93 142 97.18 97.89 9.50e-95 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CLP 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 $CLP 'recombinant technology' . . . . . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CLP 0.15 mM 0.13 0.17 '[U-90% 15N]' 'Tris buffer' 8 mM . . . DTT 1 mM . . . NaCl 50 mM . . . D2O 5 % . . . stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XWINNMR _Version 2.8 loop_ _Task 'peak assignments' stop_ _Details . save_ save_PROSA _Saveframe_category software _Name PROSA _Version 2.8 loop_ _Task 'spectrum processing' stop_ _Details . save_ save_DYANA _Saveframe_category software _Name DYANA _Version 2.5 loop_ _Task 'structure calculation' stop_ _Details . save_ save_OPAL _Saveframe_category software _Name OPAL _Version 2.2 loop_ _Task 'structure refinement' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model UNITY _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_1H15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name 1H15N_HSQC _Sample_label $sample save_ save_3D_NOESY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_NOESY-HSQC _Sample_label $sample save_ save_3D_TOCSY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_TOCSY-HSQC _Sample_label $sample save_ save_2D_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name 2D_NOESY _Sample_label $sample save_ save_2D_TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name 2D_TOCSY _Sample_label $sample save_ save_2D_DQF_COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name 2D_DQF_COSY _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 3D_NOESY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_TOCSY-HSQC _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name 2D_NOESY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name 2D_TOCSY _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name 2D_DQF_COSY _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 temperature 298 1 K pH 7 0.1 pH stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label DSS H 1 protons ppm 0 internal direct . . . 1.0 $entry_citation $entry_citation NH3 N 15 nitrogen ppm 0 internal 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 'coactosin like protein' _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 ILE HA H 4.22 0.02 1 2 . 2 ILE HB H 1.86 0.02 1 3 . 2 ILE HG2 H 0.94 0.02 1 4 . 2 ILE HG12 H 1.21 0.02 2 5 . 2 ILE HG13 H 1.47 0.02 2 6 . 2 ILE HD1 H 0.89 0.02 1 7 . 3 ARG N N 125.5 0.2 1 8 . 3 ARG H H 8.57 0.02 1 9 . 3 ARG HA H 4.36 0.02 1 10 . 3 ARG HB2 H 1.79 0.02 2 11 . 3 ARG HB3 H 1.85 0.02 2 12 . 3 ARG HG2 H 1.61 0.02 2 13 . 3 ARG HG3 H 1.68 0.02 2 14 . 3 ARG HD2 H 3.23 0.02 1 15 . 3 ARG HD3 H 3.23 0.02 1 16 . 4 MET N N 122.9 0.2 1 17 . 4 MET H H 8.43 0.02 1 18 . 4 MET HA H 4.53 0.02 1 19 . 4 MET HB2 H 2.04 0.02 2 20 . 4 MET HB3 H 2.12 0.02 2 21 . 4 MET HG2 H 2.56 0.02 2 22 . 4 MET HG3 H 2.64 0.02 2 23 . 5 ALA N N 126.7 0.2 1 24 . 5 ALA H H 8.37 0.02 1 25 . 5 ALA HA H 4.42 0.02 1 26 . 5 ALA HB H 1.43 0.02 1 27 . 6 THR N N 119.5 0.2 1 28 . 6 THR H H 8.32 0.02 1 29 . 6 THR HA H 4.66 0.02 1 30 . 6 THR HB H 3.91 0.02 1 31 . 6 THR HG2 H 1.30 0.02 1 32 . 7 LYS N N 125.7 0.2 1 33 . 7 LYS H H 8.71 0.02 1 34 . 7 LYS HA H 4.72 0.02 1 35 . 7 LYS HB2 H 1.86 0.02 1 36 . 7 LYS HB3 H 1.86 0.02 1 37 . 7 LYS HG2 H 1.46 0.02 1 38 . 7 LYS HG3 H 1.46 0.02 1 39 . 7 LYS HD2 H 1.71 0.02 1 40 . 7 LYS HD3 H 1.71 0.02 1 41 . 7 LYS HE2 H 3.02 0.02 1 42 . 7 LYS HE3 H 3.02 0.02 1 43 . 8 ILE N N 117.3 0.2 1 44 . 8 ILE H H 8.55 0.02 1 45 . 8 ILE HA H 4.91 0.02 1 46 . 8 ILE HB H 1.38 0.02 1 47 . 8 ILE HG2 H 0.40 0.02 1 48 . 8 ILE HG12 H 0.33 0.02 1 49 . 8 ILE HG13 H 1.53 0.02 1 50 . 8 ILE HD1 H 0.82 0.02 1 51 . 9 ASP N N 125.8 0.2 1 52 . 9 ASP H H 8.28 0.02 1 53 . 9 ASP HA H 4.83 0.02 1 54 . 9 ASP HB2 H 2.48 0.02 1 55 . 9 ASP HB3 H 3.11 0.02 1 56 . 10 LYS N N 126.6 0.2 1 57 . 10 LYS H H 8.22 0.02 1 58 . 10 LYS HA H 3.45 0.02 1 59 . 10 LYS HB2 H 1.73 0.02 1 60 . 10 LYS HB3 H 1.84 0.02 1 61 . 10 LYS HG2 H 1.10 0.02 2 62 . 10 LYS HG3 H 1.51 0.02 2 63 . 10 LYS HD2 H 1.65 0.02 2 64 . 10 LYS HD3 H 1.69 0.02 2 65 . 10 LYS HE2 H 2.83 0.02 2 66 . 10 LYS HE3 H 2.90 0.02 2 67 . 11 GLU N N 117.1 0.2 1 68 . 11 GLU H H 8.68 0.02 1 69 . 11 GLU HA H 4.07 0.02 1 70 . 11 GLU HB3 H 2.09 0.02 1 71 . 11 GLU HB2 H 2.13 0.02 1 72 . 11 GLU HG2 H 2.39 0.02 1 73 . 11 GLU HG3 H 2.39 0.02 1 74 . 12 ALA N N 122.6 0.2 1 75 . 12 ALA H H 7.93 0.02 1 76 . 12 ALA HA H 4.32 0.02 1 77 . 12 ALA HB H 1.46 0.02 1 78 . 13 CYS N N 115.6 0.2 1 79 . 13 CYS H H 8.42 0.02 1 80 . 13 CYS HA H 4.25 0.02 1 81 . 13 CYS HB3 H 2.18 0.02 1 82 . 13 CYS HB2 H 2.76 0.02 1 83 . 14 ARG N N 121.7 0.2 1 84 . 14 ARG H H 8.83 0.02 1 85 . 14 ARG HA H 3.78 0.02 1 86 . 14 ARG HB2 H 1.93 0.02 1 87 . 14 ARG HB3 H 1.97 0.02 1 88 . 14 ARG HG2 H 1.72 0.02 2 89 . 14 ARG HG3 H 1.77 0.02 2 90 . 14 ARG HD2 H 3.30 0.02 1 91 . 14 ARG HD3 H 3.30 0.02 1 92 . 15 ALA N N 120.4 0.2 1 93 . 15 ALA H H 7.63 0.02 1 94 . 15 ALA HA H 4.23 0.02 1 95 . 15 ALA HB H 1.59 0.02 1 96 . 16 ALA N N 121.4 0.2 1 97 . 16 ALA H H 7.24 0.02 1 98 . 16 ALA HA H 4.29 0.02 1 99 . 16 ALA HB H 1.65 0.02 1 100 . 17 TYR N N 118.7 0.2 1 101 . 17 TYR H H 8.15 0.02 1 102 . 17 TYR HA H 4.17 0.02 1 103 . 17 TYR HB2 H 2.79 0.02 1 104 . 17 TYR HB3 H 3.18 0.02 1 105 . 17 TYR HD1 H 6.35 0.02 1 106 . 17 TYR HE1 H 6.49 0.02 1 107 . 17 TYR HE2 H 6.49 0.02 1 108 . 17 TYR HD2 H 6.35 0.02 1 109 . 18 ASN N N 116.3 0.2 1 110 . 18 ASN H H 8.60 0.02 1 111 . 18 ASN HA H 4.04 0.02 1 112 . 18 ASN HB2 H 2.75 0.02 1 113 . 18 ASN HB3 H 2.87 0.02 1 114 . 18 ASN ND2 N 111.5 0.2 1 115 . 18 ASN HD21 H 7.55 0.02 1 116 . 18 ASN HD22 H 6.78 0.02 1 117 . 19 LEU N N 121.2 0.2 1 118 . 19 LEU H H 7.66 0.02 1 119 . 19 LEU HA H 4.24 0.02 1 120 . 19 LEU HB3 H 1.81 0.02 1 121 . 19 LEU HB2 H 1.92 0.02 1 122 . 19 LEU HG H 1.73 0.02 1 123 . 19 LEU HD1 H 0.91 0.02 1 124 . 19 LEU HD2 H 0.99 0.02 1 125 . 20 VAL N N 117.7 0.2 1 126 . 20 VAL H H 7.16 0.02 1 127 . 20 VAL HA H 3.95 0.02 1 128 . 20 VAL HB H 2.21 0.02 1 129 . 20 VAL HG1 H 0.95 0.02 1 130 . 20 VAL HG2 H 1.05 0.02 1 131 . 21 ARG N N 116.4 0.2 1 132 . 21 ARG H H 7.52 0.02 1 133 . 21 ARG HA H 4.12 0.02 1 134 . 21 ARG HB2 H 1.43 0.02 1 135 . 21 ARG HB3 H 1.62 0.02 1 136 . 21 ARG HG2 H 0.97 0.02 2 137 . 21 ARG HG3 H 1.51 0.02 2 138 . 21 ARG HD2 H 2.45 0.02 2 139 . 21 ARG HD3 H 2.56 0.02 2 140 . 21 ARG HE H 6.49 0.02 1 141 . 22 ASP N N 119.4 0.2 1 142 . 22 ASP H H 7.20 0.02 1 143 . 22 ASP HA H 4.56 0.02 1 144 . 22 ASP HB2 H 2.67 0.02 1 145 . 22 ASP HB3 H 3.07 0.02 1 146 . 23 ASP N N 126.1 0.2 1 147 . 23 ASP H H 8.53 0.02 1 148 . 23 ASP HA H 4.32 0.02 1 149 . 23 ASP HB3 H 2.68 0.02 1 150 . 23 ASP HB2 H 2.72 0.02 1 151 . 24 GLY N N 107.1 0.2 1 152 . 24 GLY H H 8.71 0.02 1 153 . 24 GLY HA2 H 3.74 0.02 2 154 . 24 GLY HA3 H 4.19 0.02 2 155 . 25 SER N N 117.0 0.2 1 156 . 25 SER H H 7.81 0.02 1 157 . 25 SER HA H 4.37 0.02 1 158 . 25 SER HB2 H 4.11 0.02 1 159 . 25 SER HB3 H 4.11 0.02 1 160 . 26 ALA N N 124.7 0.2 1 161 . 26 ALA H H 8.59 0.02 1 162 . 26 ALA HA H 4.25 0.02 1 163 . 26 ALA HB H 1.46 0.02 1 164 . 27 VAL N N 119.1 0.2 1 165 . 27 VAL H H 7.86 0.02 1 166 . 27 VAL HA H 3.56 0.02 1 167 . 27 VAL HB H 1.74 0.02 1 168 . 27 VAL HG1 H 0.65 0.02 1 169 . 27 VAL HG2 H 0.75 0.02 1 170 . 28 ILE N N 119.8 0.2 1 171 . 28 ILE H H 8.04 0.02 1 172 . 28 ILE HA H 4.53 0.02 1 173 . 28 ILE HB H 2.31 0.02 1 174 . 28 ILE HG2 H 0.99 0.02 1 175 . 28 ILE HG12 H 1.23 0.02 1 176 . 28 ILE HG13 H 1.53 0.02 1 177 . 28 ILE HD1 H 0.96 0.02 1 178 . 29 TRP N N 115.6 0.2 1 179 . 29 TRP H H 7.65 0.02 1 180 . 29 TRP HA H 5.71 0.02 1 181 . 29 TRP HB2 H 2.76 0.02 1 182 . 29 TRP HB3 H 2.90 0.02 1 183 . 29 TRP NE1 N 126.9 0.2 1 184 . 29 TRP HD1 H 6.51 0.02 1 185 . 29 TRP HE3 H 7.09 0.02 1 186 . 29 TRP HE1 H 9.37 0.02 1 187 . 29 TRP HZ3 H 6.81 0.02 1 188 . 29 TRP HZ2 H 7.18 0.02 1 189 . 29 TRP HH2 H 6.86 0.02 1 190 . 30 VAL N N 112.5 0.2 1 191 . 30 VAL H H 8.38 0.02 1 192 . 30 VAL HA H 5.01 0.02 1 193 . 30 VAL HB H 2.14 0.02 1 194 . 30 VAL HG1 H 0.94 0.02 1 195 . 30 VAL HG2 H 0.94 0.02 1 196 . 31 THR N N 110.4 0.2 1 197 . 31 THR H H 8.36 0.02 1 198 . 31 THR HA H 5.64 0.02 1 199 . 31 THR HB H 4.50 0.02 1 200 . 31 THR HG2 H 1.53 0.02 1 201 . 31 THR HG1 H 6.04 0.02 1 202 . 32 PHE N N 121.0 0.2 1 203 . 32 PHE H H 9.76 0.02 1 204 . 32 PHE HA H 5.39 0.02 1 205 . 32 PHE HB2 H 2.99 0.02 1 206 . 32 PHE HB3 H 2.99 0.02 1 207 . 32 PHE HD1 H 7.10 0.02 1 208 . 32 PHE HE1 H 7.18 0.02 1 209 . 32 PHE HZ H 6.88 0.02 1 210 . 32 PHE HE2 H 7.18 0.02 1 211 . 32 PHE HD2 H 7.10 0.02 1 212 . 33 LYS N N 120.8 0.2 1 213 . 33 LYS H H 9.52 0.02 1 214 . 33 LYS HA H 5.26 0.02 1 215 . 33 LYS HB3 H 1.90 0.02 1 216 . 33 LYS HB2 H 2.13 0.02 1 217 . 33 LYS HG2 H 1.42 0.02 1 218 . 33 LYS HG3 H 1.42 0.02 1 219 . 34 TYR N N 117.5 0.2 1 220 . 34 TYR H H 8.96 0.02 1 221 . 34 TYR HA H 4.62 0.02 1 222 . 34 TYR HB2 H 2.95 0.02 1 223 . 34 TYR HB3 H 2.95 0.02 1 224 . 34 TYR HD1 H 7.10 0.02 1 225 . 34 TYR HE1 H 6.66 0.02 1 226 . 34 TYR HE2 H 6.66 0.02 1 227 . 34 TYR HD2 H 7.10 0.02 1 228 . 35 ASP N N 126.5 0.2 1 229 . 35 ASP H H 9.48 0.02 1 230 . 35 ASP HA H 4.90 0.02 1 231 . 35 ASP HB2 H 2.41 0.02 1 232 . 35 ASP HB3 H 2.98 0.02 1 233 . 36 GLY N N 113.8 0.2 1 234 . 36 GLY H H 8.75 0.02 1 235 . 36 GLY HA2 H 3.69 0.02 2 236 . 36 GLY HA3 H 4.20 0.02 2 237 . 37 SER N N 124.5 0.2 1 238 . 37 SER H H 8.59 0.02 1 239 . 37 SER HA H 4.76 0.02 1 240 . 37 SER HB2 H 2.99 0.02 2 241 . 37 SER HB3 H 3.32 0.02 2 242 . 38 THR N N 117.3 0.2 1 243 . 38 THR H H 7.89 0.02 1 244 . 38 THR HA H 4.93 0.02 1 245 . 38 THR HB H 4.10 0.02 1 246 . 38 THR HG2 H 1.06 0.02 1 247 . 39 ILE N N 128.2 0.2 1 248 . 39 ILE H H 8.91 0.02 1 249 . 39 ILE HA H 4.56 0.02 1 250 . 39 ILE HB H 1.20 0.02 1 251 . 39 ILE HG2 H 0.58 0.02 1 252 . 39 ILE HG12 H -0.13 0.02 1 253 . 39 ILE HG13 H 1.25 0.02 1 254 . 39 ILE HD1 H 0.45 0.02 1 255 . 40 VAL N N 120.4 0.2 1 256 . 40 VAL H H 9.09 0.02 1 257 . 40 VAL HA H 4.83 0.02 1 258 . 40 VAL HB H 2.45 0.02 1 259 . 40 VAL HG1 H 0.82 0.02 1 260 . 40 VAL HG2 H 1.04 0.02 1 261 . 41 PRO HA H 4.84 0.02 1 262 . 41 PRO HB2 H 2.07 0.02 2 263 . 41 PRO HB3 H 2.31 0.02 2 264 . 41 PRO HG2 H 1.83 0.02 2 265 . 41 PRO HG3 H 2.24 0.02 2 266 . 41 PRO HD2 H 2.45 0.02 2 267 . 41 PRO HD3 H 3.91 0.02 2 268 . 42 GLY N N 113.0 0.2 1 269 . 42 GLY H H 8.97 0.02 1 270 . 42 GLY HA2 H 3.46 0.02 2 271 . 42 GLY HA3 H 4.45 0.02 2 272 . 43 GLU N N 125.0 0.2 1 273 . 43 GLU H H 8.43 0.02 1 274 . 43 GLU HA H 4.50 0.02 1 275 . 43 GLU HB2 H 1.96 0.02 1 276 . 43 GLU HB3 H 2.30 0.02 1 277 . 43 GLU HG2 H 2.43 0.02 2 278 . 43 GLU HG3 H 2.50 0.02 2 279 . 44 GLN N N 117.0 0.2 1 280 . 44 GLN H H 8.15 0.02 1 281 . 44 GLN HA H 4.42 0.02 1 282 . 44 GLN HB2 H 1.76 0.02 1 283 . 44 GLN HB3 H 1.92 0.02 1 284 . 44 GLN HG2 H 2.22 0.02 1 285 . 44 GLN HG3 H 2.22 0.02 1 286 . 44 GLN NE2 N 110.2 0.2 1 287 . 44 GLN HE21 H 7.36 0.02 1 288 . 44 GLN HE22 H 6.44 0.02 1 289 . 45 GLY N N 103.7 0.2 1 290 . 45 GLY H H 6.76 0.02 1 291 . 45 GLY HA2 H 3.49 0.02 1 292 . 45 GLY HA3 H 4.04 0.02 1 293 . 46 ALA N N 120.0 0.2 1 294 . 46 ALA H H 8.24 0.02 1 295 . 46 ALA HA H 4.74 0.02 1 296 . 46 ALA HB H 1.54 0.02 1 297 . 47 GLU N N 116.3 0.2 1 298 . 47 GLU H H 8.25 0.02 1 299 . 47 GLU HA H 4.87 0.02 1 300 . 47 GLU HB3 H 1.94 0.02 1 301 . 47 GLU HB2 H 2.06 0.02 1 302 . 47 GLU HG2 H 2.23 0.02 1 303 . 47 GLU HG3 H 2.23 0.02 1 304 . 48 TYR N N 132.3 0.2 1 305 . 48 TYR H H 10.02 0.02 1 306 . 48 TYR HA H 3.87 0.02 1 307 . 48 TYR HB2 H 2.98 0.02 2 308 . 48 TYR HB3 H 3.14 0.02 2 309 . 48 TYR HD1 H 6.82 0.02 1 310 . 48 TYR HE1 H 6.96 0.02 1 311 . 48 TYR HE2 H 6.96 0.02 1 312 . 48 TYR HD2 H 6.82 0.02 1 313 . 48 TYR HH H 9.14 0.02 1 314 . 49 GLN N N 116.3 0.2 1 315 . 49 GLN H H 9.39 0.02 1 316 . 49 GLN HA H 3.85 0.02 1 317 . 49 GLN HB3 H 2.02 0.02 1 318 . 49 GLN HB2 H 2.12 0.02 1 319 . 49 GLN HG2 H 2.24 0.02 2 320 . 49 GLN HG3 H 2.36 0.02 2 321 . 49 GLN NE2 N 113.2 0.2 1 322 . 49 GLN HE21 H 7.53 0.02 1 323 . 49 GLN HE22 H 6.98 0.02 1 324 . 50 HIS N N 116.2 0.2 1 325 . 50 HIS H H 7.18 0.02 1 326 . 50 HIS HA H 4.46 0.02 1 327 . 50 HIS HB2 H 3.61 0.02 1 328 . 50 HIS HB3 H 3.61 0.02 1 329 . 50 HIS HD2 H 7.05 0.02 1 330 . 50 HIS HE1 H 7.91 0.02 1 331 . 51 PHE N N 121.8 0.2 1 332 . 51 PHE H H 7.04 0.02 1 333 . 51 PHE HA H 2.45 0.02 1 334 . 51 PHE HB2 H 0.34 0.02 1 335 . 51 PHE HB3 H 1.96 0.02 1 336 . 51 PHE HD1 H 5.92 0.02 1 337 . 51 PHE HE1 H 6.71 0.02 1 338 . 51 PHE HZ H 6.52 0.02 1 339 . 51 PHE HE2 H 6.71 0.02 1 340 . 51 PHE HD2 H 5.92 0.02 1 341 . 52 ILE N N 118.2 0.2 1 342 . 52 ILE H H 6.50 0.02 1 343 . 52 ILE HA H 2.34 0.02 1 344 . 52 ILE HB H 1.56 0.02 1 345 . 52 ILE HG2 H 0.53 0.02 1 346 . 52 ILE HG12 H 0.51 0.02 1 347 . 52 ILE HG13 H 1.13 0.02 1 348 . 52 ILE HD1 H 0.82 0.02 1 349 . 53 GLN N N 114.0 0.2 1 350 . 53 GLN H H 6.67 0.02 1 351 . 53 GLN HA H 3.68 0.02 1 352 . 53 GLN HB2 H 1.98 0.02 1 353 . 53 GLN HB3 H 1.98 0.02 1 354 . 53 GLN HG2 H 2.34 0.02 2 355 . 53 GLN HG3 H 2.44 0.02 2 356 . 53 GLN NE2 N 112.0 0.2 1 357 . 53 GLN HE21 H 7.41 0.02 1 358 . 53 GLN HE22 H 6.77 0.02 1 359 . 54 GLN N N 114.6 0.2 1 360 . 54 GLN H H 7.20 0.02 1 361 . 54 GLN HA H 3.85 0.02 1 362 . 54 GLN HB2 H 1.75 0.02 1 363 . 54 GLN HB3 H 2.11 0.02 1 364 . 54 GLN HG2 H 2.45 0.02 1 365 . 54 GLN HG3 H 2.45 0.02 1 366 . 54 GLN NE2 N 115.6 0.2 1 367 . 54 GLN HE21 H 6.84 0.02 1 368 . 54 GLN HE22 H 7.61 0.02 1 369 . 55 CYS N N 118.6 0.2 1 370 . 55 CYS H H 6.59 0.02 1 371 . 55 CYS HA H 3.14 0.02 1 372 . 55 CYS HB3 H -0.70 0.02 1 373 . 55 CYS HB2 H 1.63 0.02 1 374 . 55 CYS HG H 0.33 0.02 1 375 . 56 THR N N 111.6 0.2 1 376 . 56 THR H H 6.85 0.02 1 377 . 56 THR HA H 4.49 0.02 1 378 . 56 THR HB H 4.64 0.02 1 379 . 56 THR HG2 H 1.06 0.02 1 380 . 57 ASP N N 119.0 0.2 1 381 . 57 ASP H H 9.10 0.02 1 382 . 57 ASP HA H 4.79 0.02 1 383 . 57 ASP HB3 H 2.71 0.02 1 384 . 57 ASP HB2 H 2.81 0.02 1 385 . 58 ASP N N 114.1 0.2 1 386 . 58 ASP H H 8.28 0.02 1 387 . 58 ASP HA H 4.65 0.02 1 388 . 58 ASP HB2 H 2.62 0.02 1 389 . 58 ASP HB3 H 2.80 0.02 1 390 . 59 VAL N N 115.2 0.2 1 391 . 59 VAL H H 7.34 0.02 1 392 . 59 VAL HA H 4.91 0.02 1 393 . 59 VAL HB H 2.25 0.02 1 394 . 59 VAL HG1 H 1.08 0.02 2 395 . 59 VAL HG2 H 1.22 0.02 2 396 . 60 ARG N N 118.3 0.2 1 397 . 60 ARG H H 7.95 0.02 1 398 . 60 ARG HA H 5.57 0.02 1 399 . 60 ARG HB3 H 1.67 0.02 1 400 . 60 ARG HB2 H 1.97 0.02 1 401 . 60 ARG HG2 H 1.78 0.02 1 402 . 60 ARG HG3 H 1.78 0.02 1 403 . 60 ARG HD2 H 3.24 0.02 1 404 . 60 ARG HD3 H 3.24 0.02 1 405 . 61 LEU N N 118.9 0.2 1 406 . 61 LEU H H 9.50 0.02 1 407 . 61 LEU HA H 4.90 0.02 1 408 . 61 LEU HB3 H 1.90 0.02 1 409 . 61 LEU HB2 H 2.30 0.02 1 410 . 61 LEU HG H 1.91 0.02 1 411 . 61 LEU HD1 H 1.00 0.02 1 412 . 61 LEU HD2 H 1.00 0.02 1 413 . 62 PHE N N 117.0 0.2 1 414 . 62 PHE H H 8.81 0.02 1 415 . 62 PHE HA H 5.96 0.02 1 416 . 62 PHE HB2 H 3.18 0.02 1 417 . 62 PHE HB3 H 3.18 0.02 1 418 . 62 PHE HD1 H 7.37 0.02 1 419 . 62 PHE HE1 H 7.22 0.02 1 420 . 62 PHE HZ H 7.55 0.02 1 421 . 62 PHE HE2 H 7.22 0.02 1 422 . 62 PHE HD2 H 7.37 0.02 1 423 . 63 ALA N N 124.4 0.2 1 424 . 63 ALA H H 10.34 0.02 1 425 . 63 ALA HA H 5.59 0.02 1 426 . 63 ALA HB H 1.25 0.02 1 427 . 64 PHE N N 123.8 0.2 1 428 . 64 PHE H H 8.79 0.02 1 429 . 64 PHE HA H 5.93 0.02 1 430 . 64 PHE HB2 H 3.00 0.02 1 431 . 64 PHE HB3 H 3.17 0.02 1 432 . 64 PHE HD1 H 7.25 0.02 1 433 . 64 PHE HE1 H 6.85 0.02 1 434 . 64 PHE HZ H 7.18 0.02 1 435 . 64 PHE HE2 H 6.85 0.02 1 436 . 64 PHE HD2 H 7.24 0.02 1 437 . 65 VAL N N 125.5 0.2 1 438 . 65 VAL H H 8.29 0.02 1 439 . 65 VAL HA H 5.03 0.02 1 440 . 65 VAL HB H 1.73 0.02 1 441 . 65 VAL HG1 H 0.38 0.02 1 442 . 65 VAL HG2 H 0.46 0.02 1 443 . 66 ARG N N 126.5 0.2 1 444 . 66 ARG H H 8.96 0.02 1 445 . 66 ARG HA H 4.25 0.02 1 446 . 66 ARG HB3 H 1.54 0.02 1 447 . 66 ARG HB2 H 1.82 0.02 1 448 . 66 ARG HG2 H 0.72 0.02 2 449 . 66 ARG HG3 H 1.16 0.02 2 450 . 66 ARG HD2 H 3.16 0.02 2 451 . 66 ARG HD3 H 3.42 0.02 2 452 . 66 ARG HE H 7.02 0.02 1 453 . 67 PHE N N 124.4 0.2 1 454 . 67 PHE H H 8.80 0.02 1 455 . 67 PHE HA H 4.61 0.02 1 456 . 67 PHE HB3 H 2.56 0.02 1 457 . 67 PHE HB2 H 2.70 0.02 1 458 . 67 PHE HD1 H 6.97 0.02 1 459 . 67 PHE HE1 H 6.80 0.02 1 460 . 67 PHE HZ H 6.79 0.02 1 461 . 67 PHE HE2 H 6.80 0.02 1 462 . 67 PHE HD2 H 6.97 0.02 1 463 . 68 THR N N 119.9 0.2 1 464 . 68 THR H H 8.92 0.02 1 465 . 68 THR HA H 4.86 0.02 1 466 . 68 THR HB H 4.00 0.02 1 467 . 68 THR HG2 H 1.19 0.02 1 468 . 69 THR N N 117.3 0.2 1 469 . 69 THR H H 8.59 0.02 1 470 . 69 THR HA H 4.65 0.02 1 471 . 69 THR HB H 4.23 0.02 1 472 . 69 THR HG2 H 1.07 0.02 1 473 . 70 GLY N N 109.6 0.2 1 474 . 70 GLY H H 8.30 0.02 1 475 . 70 GLY HA2 H 3.94 0.02 2 476 . 70 GLY HA3 H 4.32 0.02 2 477 . 71 ASP N N 120.3 0.2 1 478 . 71 ASP H H 8.02 0.02 1 479 . 71 ASP HA H 4.68 0.02 1 480 . 71 ASP HB3 H 2.68 0.02 2 481 . 71 ASP HB2 H 2.83 0.02 2 482 . 72 ALA N N 121.4 0.2 1 483 . 72 ALA H H 8.45 0.02 1 484 . 72 ALA HA H 4.07 0.02 1 485 . 72 ALA HB H 1.47 0.02 1 486 . 73 MET N N 116.1 0.2 1 487 . 73 MET H H 8.28 0.02 1 488 . 73 MET HA H 4.53 0.02 1 489 . 73 MET HB2 H 2.15 0.02 2 490 . 73 MET HB3 H 2.22 0.02 2 491 . 73 MET HG2 H 2.56 0.02 2 492 . 73 MET HG3 H 2.70 0.02 2 493 . 74 SER N N 115.4 0.2 1 494 . 74 SER H H 8.09 0.02 1 495 . 74 SER HA H 4.58 0.02 1 496 . 74 SER HB2 H 3.88 0.02 2 497 . 74 SER HB3 H 3.91 0.02 2 498 . 75 LYS N N 123.4 0.2 1 499 . 75 LYS H H 8.10 0.02 1 500 . 75 LYS HA H 4.58 0.02 1 501 . 75 LYS HB3 H 1.71 0.02 1 502 . 75 LYS HB2 H 1.75 0.02 1 503 . 75 LYS HG2 H 1.32 0.02 2 504 . 75 LYS HG3 H 1.41 0.02 2 505 . 75 LYS HD2 H 1.61 0.02 2 506 . 75 LYS HD3 H 1.66 0.02 2 507 . 75 LYS HE2 H 2.95 0.02 1 508 . 75 LYS HE3 H 2.95 0.02 1 509 . 76 ARG N N 122.5 0.2 1 510 . 76 ARG H H 8.59 0.02 1 511 . 76 ARG HA H 4.60 0.02 1 512 . 76 ARG HB2 H 1.72 0.02 1 513 . 76 ARG HB3 H 1.81 0.02 1 514 . 76 ARG HG2 H 1.62 0.02 1 515 . 76 ARG HG3 H 1.62 0.02 1 516 . 76 ARG HD2 H 3.16 0.02 2 517 . 76 ARG HD3 H 3.25 0.02 2 518 . 77 SER N N 118.2 0.2 1 519 . 77 SER H H 8.69 0.02 1 520 . 77 SER HA H 5.22 0.02 1 521 . 77 SER HB2 H 3.25 0.02 1 522 . 77 SER HB3 H 3.56 0.02 1 523 . 78 LYS N N 122.1 0.2 1 524 . 78 LYS H H 8.68 0.02 1 525 . 78 LYS HA H 4.64 0.02 1 526 . 78 LYS HB3 H 1.43 0.02 1 527 . 78 LYS HB2 H 1.71 0.02 1 528 . 78 LYS HG2 H 1.61 0.02 2 529 . 78 LYS HG3 H 1.66 0.02 2 530 . 79 PHE N N 118.7 0.2 1 531 . 79 PHE H H 8.64 0.02 1 532 . 79 PHE HA H 5.66 0.02 1 533 . 79 PHE HB2 H 3.01 0.02 1 534 . 79 PHE HB3 H 3.01 0.02 1 535 . 79 PHE HD1 H 7.00 0.02 1 536 . 79 PHE HE1 H 7.37 0.02 1 537 . 79 PHE HZ H 7.44 0.02 1 538 . 79 PHE HE2 H 7.37 0.02 1 539 . 79 PHE HD2 H 7.00 0.02 1 540 . 80 ALA N N 123.5 0.2 1 541 . 80 ALA H H 9.38 0.02 1 542 . 80 ALA HA H 5.66 0.02 1 543 . 80 ALA HB H 1.63 0.02 1 544 . 81 LEU N N 122.4 0.2 1 545 . 81 LEU H H 7.83 0.02 1 546 . 81 LEU HA H 5.62 0.02 1 547 . 81 LEU HB2 H 0.81 0.02 2 548 . 81 LEU HB3 H 1.25 0.02 2 549 . 81 LEU HG H 1.72 0.02 1 550 . 81 LEU HD1 H 0.45 0.02 1 551 . 81 LEU HD2 H 1.01 0.02 1 552 . 82 ILE N N 128.3 0.2 1 553 . 82 ILE H H 9.88 0.02 1 554 . 82 ILE HA H 4.99 0.02 1 555 . 82 ILE HB H 1.84 0.02 1 556 . 82 ILE HG2 H 1.05 0.02 1 557 . 82 ILE HG12 H 1.09 0.02 1 558 . 82 ILE HG13 H 1.74 0.02 1 559 . 82 ILE HD1 H 1.01 0.02 1 560 . 83 THR N N 126.1 0.2 1 561 . 83 THR H H 9.09 0.02 1 562 . 83 THR HA H 4.90 0.02 1 563 . 83 THR HB H 4.30 0.02 1 564 . 83 THR HG2 H 1.01 0.02 1 565 . 84 TRP N N 128.9 0.2 1 566 . 84 TRP H H 9.30 0.02 1 567 . 84 TRP HA H 5.58 0.02 1 568 . 84 TRP HB2 H 2.95 0.02 1 569 . 84 TRP HB3 H 2.95 0.02 1 570 . 84 TRP NE1 N 128.4 0.2 1 571 . 84 TRP HD1 H 6.69 0.02 1 572 . 84 TRP HE3 H 7.06 0.02 1 573 . 84 TRP HE1 H 10.15 0.02 1 574 . 84 TRP HZ3 H 6.34 0.02 1 575 . 84 TRP HZ2 H 7.01 0.02 1 576 . 84 TRP HH2 H 6.81 0.02 1 577 . 85 ILE N N 124.6 0.2 1 578 . 85 ILE H H 7.41 0.02 1 579 . 85 ILE HA H 3.83 0.02 1 580 . 85 ILE HB H 1.25 0.02 1 581 . 85 ILE HG12 H 1.23 0.02 1 582 . 85 ILE HG13 H 1.36 0.02 1 583 . 85 ILE HD1 H 0.71 0.02 1 584 . 86 GLY N N 114.0 0.2 1 585 . 86 GLY H H 7.96 0.02 1 586 . 86 GLY HA2 H 3.86 0.02 1 587 . 86 GLY HA3 H 3.86 0.02 1 588 . 87 GLU N N 121.1 0.2 1 589 . 87 GLU H H 9.44 0.02 1 590 . 87 GLU HA H 3.99 0.02 1 591 . 87 GLU HB3 H 1.97 0.02 1 592 . 87 GLU HB2 H 2.12 0.02 1 593 . 87 GLU HG2 H 2.28 0.02 2 594 . 87 GLU HG3 H 2.32 0.02 2 595 . 88 ASN N N 114.0 0.2 1 596 . 88 ASN H H 8.70 0.02 1 597 . 88 ASN HA H 4.89 0.02 1 598 . 88 ASN HB2 H 2.62 0.02 1 599 . 88 ASN HB3 H 3.00 0.02 1 600 . 88 ASN ND2 N 113.8 0.2 1 601 . 88 ASN HD21 H 7.72 0.02 1 602 . 88 ASN HD22 H 6.98 0.02 1 603 . 89 VAL N N 122.8 0.2 1 604 . 89 VAL H H 7.46 0.02 1 605 . 89 VAL HA H 3.83 0.02 1 606 . 89 VAL HB H 1.97 0.02 1 607 . 89 VAL HG1 H 0.67 0.02 1 608 . 89 VAL HG2 H 0.88 0.02 1 609 . 90 SER N N 123.9 0.2 1 610 . 90 SER H H 8.78 0.02 1 611 . 90 SER HA H 4.37 0.02 1 612 . 90 SER HB3 H 4.03 0.02 1 613 . 90 SER HB2 H 4.25 0.02 1 614 . 91 GLY N N 109.8 0.2 1 615 . 91 GLY H H 8.95 0.02 1 616 . 91 GLY HA2 H 3.76 0.02 2 617 . 91 GLY HA3 H 4.02 0.02 2 618 . 92 LEU N N 123.6 0.2 1 619 . 92 LEU H H 8.36 0.02 1 620 . 92 LEU HA H 4.19 0.02 1 621 . 92 LEU HB2 H 1.57 0.02 2 622 . 92 LEU HB3 H 1.69 0.02 2 623 . 92 LEU HG H 1.63 0.02 1 624 . 92 LEU HD1 H 0.89 0.02 2 625 . 92 LEU HD2 H 0.95 0.02 2 626 . 93 GLN N N 117.6 0.2 1 627 . 93 GLN H H 7.62 0.02 1 628 . 93 GLN HA H 3.97 0.02 1 629 . 93 GLN HB2 H 1.56 0.02 1 630 . 93 GLN HB3 H 2.13 0.02 1 631 . 93 GLN HG2 H 2.14 0.02 2 632 . 93 GLN HG3 H 2.36 0.02 2 633 . 93 GLN NE2 N 111.6 0.2 1 634 . 93 GLN HE21 H 7.28 0.02 1 635 . 93 GLN HE22 H 6.78 0.02 1 636 . 94 ARG N N 123.4 0.2 1 637 . 94 ARG H H 8.79 0.02 1 638 . 94 ARG HA H 3.70 0.02 1 639 . 94 ARG HB3 H 1.92 0.02 1 640 . 94 ARG HB2 H 1.95 0.02 1 641 . 94 ARG HG2 H 1.73 0.02 1 642 . 94 ARG HG3 H 1.73 0.02 1 643 . 95 ALA N N 122.5 0.2 1 644 . 95 ALA H H 7.99 0.02 1 645 . 95 ALA HA H 4.17 0.02 1 646 . 95 ALA HB H 1.54 0.02 1 647 . 96 LYS N N 118.4 0.2 1 648 . 96 LYS H H 7.95 0.02 1 649 . 96 LYS HA H 4.18 0.02 1 650 . 96 LYS HB2 H 1.81 0.02 1 651 . 96 LYS HB3 H 2.03 0.02 1 652 . 96 LYS HG2 H 1.68 0.02 1 653 . 96 LYS HG3 H 1.68 0.02 1 654 . 97 THR N N 115.0 0.2 1 655 . 97 THR H H 7.84 0.02 1 656 . 97 THR HA H 4.21 0.02 1 657 . 97 THR HB H 4.18 0.02 1 658 . 97 THR HG2 H 1.22 0.02 1 659 . 98 GLY N N 105.9 0.2 1 660 . 98 GLY H H 7.71 0.02 1 661 . 98 GLY HA2 H 3.90 0.02 1 662 . 98 GLY HA3 H 4.06 0.02 1 663 . 99 THR N N 116.1 0.2 1 664 . 99 THR H H 7.70 0.02 1 665 . 99 THR HA H 4.35 0.02 1 666 . 99 THR HB H 4.30 0.02 1 667 . 99 THR HG2 H 1.35 0.02 1 668 . 100 ASP N N 124.4 0.2 1 669 . 100 ASP H H 8.76 0.02 1 670 . 100 ASP HA H 4.45 0.02 1 671 . 100 ASP HB3 H 2.75 0.02 1 672 . 100 ASP HB2 H 3.19 0.02 1 673 . 101 LYS N N 119.3 0.2 1 674 . 101 LYS H H 7.92 0.02 1 675 . 101 LYS HA H 3.52 0.02 1 676 . 101 LYS HB3 H 2.03 0.02 1 677 . 101 LYS HB2 H 2.11 0.02 1 678 . 101 LYS HG2 H 1.46 0.02 2 679 . 101 LYS HG3 H 1.55 0.02 2 680 . 102 THR N N 114.0 0.2 1 681 . 102 THR H H 7.57 0.02 1 682 . 102 THR HA H 3.73 0.02 1 683 . 102 THR HB H 4.22 0.02 1 684 . 102 THR HG2 H 1.30 0.02 1 685 . 103 LEU N N 121.0 0.2 1 686 . 103 LEU H H 7.30 0.02 1 687 . 103 LEU HA H 4.00 0.02 1 688 . 103 LEU HB3 H 1.30 0.02 1 689 . 103 LEU HB2 H 1.79 0.02 1 690 . 103 LEU HG H 1.63 0.02 1 691 . 103 LEU HD1 H 0.75 0.02 1 692 . 103 LEU HD2 H 0.77 0.02 1 693 . 104 VAL N N 117.8 0.2 1 694 . 104 VAL H H 6.66 0.02 1 695 . 104 VAL HA H 2.87 0.02 1 696 . 104 VAL HB H 1.55 0.02 1 697 . 104 VAL HG1 H -0.18 0.02 1 698 . 104 VAL HG2 H 0.29 0.02 1 699 . 105 LYS N N 119.0 0.2 1 700 . 105 LYS H H 7.86 0.02 1 701 . 105 LYS HA H 3.91 0.02 1 702 . 105 LYS HB3 H 1.68 0.02 1 703 . 105 LYS HB2 H 2.02 0.02 1 704 . 106 GLU N N 117.1 0.2 1 705 . 106 GLU H H 7.22 0.02 1 706 . 106 GLU HA H 3.95 0.02 1 707 . 106 GLU HB3 H 1.91 0.02 1 708 . 106 GLU HB2 H 2.11 0.02 1 709 . 106 GLU HG2 H 2.12 0.02 2 710 . 106 GLU HG3 H 2.58 0.02 2 711 . 107 VAL N N 115.1 0.2 1 712 . 107 VAL H H 6.97 0.02 1 713 . 107 VAL HA H 3.67 0.02 1 714 . 107 VAL HB H 1.65 0.02 1 715 . 107 VAL HG1 H 0.41 0.02 2 716 . 107 VAL HG2 H 0.67 0.02 2 717 . 108 VAL N N 119.1 0.2 1 718 . 108 VAL H H 8.053 0.02 1 719 . 108 VAL HA H 2.73 0.02 1 720 . 108 VAL HB H 1.60 0.02 1 721 . 108 VAL HG1 H 0.37 0.02 2 722 . 108 VAL HG2 H 0.67 0.02 2 723 . 109 GLN N N 119.4 0.2 1 724 . 109 GLN H H 6.21 0.02 1 725 . 109 GLN HA H 4.20 0.02 1 726 . 109 GLN HB2 H 1.78 0.02 2 727 . 109 GLN HB3 H 2.01 0.02 2 728 . 109 GLN HG2 H 2.11 0.02 1 729 . 109 GLN HG3 H 2.11 0.02 1 730 . 109 GLN NE2 N 113.2 0.2 1 731 . 109 GLN HE21 H 7.39 0.02 1 732 . 109 GLN HE22 H 6.79 0.02 1 733 . 110 ASN N N 116.3 0.2 1 734 . 110 ASN H H 7.95 0.02 1 735 . 110 ASN HA H 4.75 0.02 1 736 . 110 ASN HB3 H 2.62 0.02 1 737 . 110 ASN HB2 H 2.79 0.02 1 738 . 110 ASN ND2 N 113.2 0.2 1 739 . 110 ASN HD21 H 7.71 0.02 1 740 . 110 ASN HD22 H 6.97 0.02 1 741 . 111 PHE N N 116.2 0.2 1 742 . 111 PHE H H 7.35 0.02 1 743 . 111 PHE HA H 4.93 0.02 1 744 . 111 PHE HB2 H 3.20 0.02 1 745 . 111 PHE HB3 H 3.38 0.02 1 746 . 111 PHE HD1 H 6.82 0.02 1 747 . 111 PHE HE1 H 7.37 0.02 1 748 . 111 PHE HZ H 7.21 0.02 1 749 . 111 PHE HE2 H 7.37 0.02 1 750 . 111 PHE HD2 H 6.82 0.02 1 751 . 112 ALA HA H 4.49 0.02 1 752 . 112 ALA HB H 1.72 0.02 1 753 . 113 LYS N N 114.9 0.2 1 754 . 113 LYS H H 7.57 0.02 1 755 . 113 LYS HA H 4.54 0.02 1 756 . 113 LYS HB3 H 1.42 0.02 1 757 . 113 LYS HB2 H 1.64 0.02 1 758 . 113 LYS HG2 H 0.89 0.02 2 759 . 113 LYS HG3 H 1.22 0.02 2 760 . 113 LYS HD2 H 1.37 0.02 2 761 . 113 LYS HD3 H 1.54 0.02 2 762 . 113 LYS HE2 H 2.70 0.02 2 763 . 113 LYS HE3 H 2.89 0.02 2 764 . 114 GLU N N 122.4 0.2 1 765 . 114 GLU H H 8.29 0.02 1 766 . 114 GLU HA H 5.85 0.02 1 767 . 114 GLU HB3 H 1.73 0.02 1 768 . 114 GLU HB2 H 2.04 0.02 1 769 . 114 GLU HG2 H 2.19 0.02 1 770 . 114 GLU HG3 H 2.19 0.02 1 771 . 115 PHE N N 118.9 0.2 1 772 . 115 PHE H H 8.97 0.02 1 773 . 115 PHE HA H 5.02 0.02 1 774 . 115 PHE HB2 H 2.85 0.02 1 775 . 115 PHE HB3 H 3.26 0.02 1 776 . 115 PHE HD1 H 7.40 0.02 1 777 . 115 PHE HE1 H 7.11 0.02 1 778 . 115 PHE HZ H 6.91 0.02 1 779 . 115 PHE HE2 H 7.12 0.02 1 780 . 115 PHE HD2 H 7.40 0.02 1 781 . 116 VAL N N 127.3 0.2 1 782 . 116 VAL H H 9.20 0.02 1 783 . 116 VAL HA H 5.00 0.02 1 784 . 116 VAL HB H 2.12 0.02 1 785 . 116 VAL HG1 H 0.87 0.02 1 786 . 116 VAL HG2 H 1.01 0.02 1 787 . 117 ILE N N 129.1 0.2 1 788 . 117 ILE H H 9.34 0.02 1 789 . 117 ILE HA H 4.50 0.02 1 790 . 117 ILE HB H 1.78 0.02 1 791 . 117 ILE HG2 H 1.28 0.02 1 792 . 117 ILE HG12 H 1.43 0.02 1 793 . 117 ILE HG13 H 1.63 0.02 1 794 . 117 ILE HD1 H 0.90 0.02 1 795 . 118 SER N N 117.9 0.2 1 796 . 118 SER H H 8.89 0.02 1 797 . 118 SER HA H 3.74 0.02 1 798 . 118 SER HB2 H 3.52 0.02 1 799 . 118 SER HB3 H 3.52 0.02 1 800 . 119 ASP N N 123.3 0.2 1 801 . 119 ASP H H 7.47 0.02 1 802 . 119 ASP HA H 5.07 0.02 1 803 . 119 ASP HB2 H 2.54 0.02 1 804 . 119 ASP HB3 H 2.82 0.02 1 805 . 120 ARG N N 126.6 0.2 1 806 . 120 ARG H H 9.47 0.02 1 807 . 120 ARG HA H 3.86 0.02 1 808 . 120 ARG HB2 H 1.76 0.02 1 809 . 120 ARG HB3 H 1.88 0.02 1 810 . 120 ARG HG2 H 1.35 0.02 1 811 . 120 ARG HG3 H 1.35 0.02 1 812 . 120 ARG HD2 H 3.00 0.02 2 813 . 120 ARG HD3 H 3.16 0.02 2 814 . 120 ARG HE H 7.18 0.02 1 815 . 121 LYS N N 121.4 0.2 1 816 . 121 LYS H H 8.96 0.02 1 817 . 121 LYS HA H 4.12 0.02 1 818 . 121 LYS HB3 H 1.67 0.02 1 819 . 121 LYS HB2 H 1.81 0.02 1 820 . 121 LYS HG2 H 1.43 0.02 1 821 . 121 LYS HG3 H 1.43 0.02 1 822 . 121 LYS HD2 H 1.71 0.02 1 823 . 121 LYS HD3 H 1.71 0.02 1 824 . 121 LYS HE2 H 3.00 0.02 1 825 . 121 LYS HE3 H 3.00 0.02 1 826 . 122 GLU N N 117.0 0.2 1 827 . 122 GLU H H 7.65 0.02 1 828 . 122 GLU HA H 3.52 0.02 1 829 . 122 GLU HB2 H 1.88 0.02 1 830 . 122 GLU HB3 H 2.15 0.02 1 831 . 122 GLU HG2 H 2.15 0.02 1 832 . 122 GLU HG3 H 2.15 0.02 1 833 . 123 LEU N N 111.5 0.2 1 834 . 123 LEU H H 7.09 0.02 1 835 . 123 LEU HA H 4.37 0.02 1 836 . 123 LEU HB2 H 1.53 0.02 1 837 . 123 LEU HB3 H 1.66 0.02 1 838 . 123 LEU HG H 1.77 0.02 1 839 . 123 LEU HD1 H 0.40 0.02 1 840 . 123 LEU HD2 H 0.89 0.02 1 841 . 124 GLU N N 117.1 0.2 1 842 . 124 GLU H H 6.90 0.02 1 843 . 124 GLU HA H 4.04 0.02 1 844 . 124 GLU HB2 H 2.05 0.02 1 845 . 124 GLU HB3 H 2.30 0.02 1 846 . 124 GLU HG2 H 2.39 0.02 2 847 . 124 GLU HG3 H 2.62 0.02 2 848 . 125 GLU N N 126.1 0.2 1 849 . 125 GLU H H 9.06 0.02 1 850 . 125 GLU HA H 3.52 0.02 1 851 . 125 GLU HB3 H 1.81 0.02 1 852 . 125 GLU HB2 H 1.88 0.02 1 853 . 125 GLU HG2 H 1.98 0.02 1 854 . 125 GLU HG3 H 1.98 0.02 1 855 . 126 ASP N N 115.2 0.2 1 856 . 126 ASP H H 8.80 0.02 1 857 . 126 ASP HA H 4.31 0.02 1 858 . 126 ASP HB3 H 2.63 0.02 1 859 . 126 ASP HB2 H 2.67 0.02 1 860 . 127 PHE N N 122.1 0.2 1 861 . 127 PHE H H 7.46 0.02 1 862 . 127 PHE HA H 4.26 0.02 1 863 . 127 PHE HB2 H 3.25 0.02 1 864 . 127 PHE HB3 H 3.25 0.02 1 865 . 127 PHE HD1 H 7.33 0.02 1 866 . 127 PHE HE1 H 7.37 0.02 1 867 . 127 PHE HZ H 7.33 0.02 1 868 . 127 PHE HE2 H 7.37 0.02 1 869 . 127 PHE HD2 H 7.33 0.02 1 870 . 128 ILE N N 120.5 0.2 1 871 . 128 ILE H H 7.86 0.02 1 872 . 128 ILE HA H 3.15 0.02 1 873 . 128 ILE HB H 1.47 0.02 1 874 . 128 ILE HG2 H 0.05 0.02 1 875 . 128 ILE HG12 H 0.96 0.02 1 876 . 128 ILE HG13 H 1.37 0.02 1 877 . 128 ILE HD1 H 0.29 0.02 1 878 . 129 LYS N N 117.6 0.2 1 879 . 129 LYS H H 8.48 0.02 1 880 . 129 LYS HA H 3.36 0.02 1 881 . 129 LYS HB3 H 1.66 0.02 1 882 . 129 LYS HB2 H 1.73 0.02 1 883 . 129 LYS HG2 H 1.00 0.02 2 884 . 129 LYS HG3 H 1.40 0.02 2 885 . 129 LYS HD2 H 1.42 0.02 1 886 . 129 LYS HD3 H 1.42 0.02 1 887 . 129 LYS HE2 H 2.93 0.02 1 888 . 129 LYS HE3 H 2.93 0.02 1 889 . 130 SER N N 114.5 0.2 1 890 . 130 SER H H 7.59 0.02 1 891 . 130 SER HA H 3.98 0.02 1 892 . 130 SER HB2 H 4.10 0.02 1 893 . 130 SER HB3 H 4.10 0.02 1 894 . 131 GLU N N 121.6 0.02 1 895 . 131 GLU H H 7.72 0.02 1 896 . 131 GLU HA H 3.99 0.02 1 897 . 131 GLU HB2 H 1.81 0.02 1 898 . 131 GLU HB3 H 1.95 0.02 1 899 . 131 GLU HG2 H 2.08 0.02 2 900 . 131 GLU HG3 H 2.16 0.02 2 901 . 132 LEU N N 119.7 0.2 1 902 . 132 LEU H H 8.47 0.02 1 903 . 132 LEU HA H 4.00 0.02 1 904 . 132 LEU HB3 H 1.26 0.02 1 905 . 132 LEU HB2 H 1.84 0.02 1 906 . 132 LEU HG H 1.83 0.02 1 907 . 132 LEU HD1 H 0.50 0.02 1 908 . 132 LEU HD2 H 0.89 0.02 1 909 . 133 LYS N N 118.9 0.2 1 910 . 133 LYS H H 7.68 0.02 1 911 . 133 LYS HA H 4.02 0.02 1 912 . 133 LYS HB3 H 1.86 0.02 1 913 . 133 LYS HB2 H 1.93 0.02 1 914 . 133 LYS HG2 H 1.55 0.02 2 915 . 133 LYS HG3 H 1.67 0.02 2 916 . 133 LYS HD2 H 1.69 0.02 1 917 . 133 LYS HD3 H 1.69 0.02 1 918 . 133 LYS HE2 H 2.92 0.02 1 919 . 133 LYS HE3 H 2.92 0.02 1 920 . 134 LYS N N 118.2 0.2 1 921 . 134 LYS H H 7.39 0.02 1 922 . 134 LYS HA H 4.17 0.02 1 923 . 134 LYS HB2 H 1.81 0.02 1 924 . 134 LYS HB3 H 1.92 0.02 1 925 . 134 LYS HG2 H 1.58 0.02 1 926 . 134 LYS HG3 H 1.58 0.02 1 927 . 134 LYS HD2 H 1.69 0.02 1 928 . 134 LYS HD3 H 1.69 0.02 1 929 . 134 LYS HE2 H 3.05 0.02 1 930 . 134 LYS HE3 H 3.05 0.02 1 931 . 135 ALA N N 122.7 0.2 1 932 . 135 ALA H H 7.73 0.02 1 933 . 135 ALA HA H 4.35 0.02 1 934 . 135 ALA HB H 1.48 0.02 1 935 . 136 GLY N N 107.6 0.2 1 936 . 136 GLY H H 8.20 0.02 1 937 . 136 GLY HA2 H 4.03 0.02 1 938 . 136 GLY HA3 H 4.03 0.02 1 939 . 137 GLY N N 108.8 0.2 1 940 . 137 GLY H H 8.23 0.02 1 941 . 137 GLY HA2 H 4.03 0.02 1 942 . 137 GLY HA3 H 4.03 0.02 1 943 . 138 ALA N N 123.7 0.2 1 944 . 138 ALA H H 8.30 0.02 1 945 . 138 ALA HA H 4.32 0.02 1 946 . 138 ALA HB H 1.35 0.02 1 947 . 139 ASN N N 117.2 0.2 1 948 . 139 ASN H H 8.37 0.02 1 949 . 139 ASN HA H 4.70 0.02 1 950 . 139 ASN HB2 H 2.71 0.02 2 951 . 139 ASN HB3 H 2.80 0.02 2 952 . 139 ASN ND2 N 113.9 0.2 1 953 . 139 ASN HD21 H 7.61 0.02 1 954 . 139 ASN HD22 H 6.92 0.02 1 955 . 140 TYR N N 120.8 0.2 1 956 . 140 TYR H H 8.09 0.02 1 957 . 140 TYR HA H 4.53 0.02 1 958 . 140 TYR HB2 H 2.97 0.02 1 959 . 140 TYR HB3 H 3.08 0.02 1 960 . 140 TYR HD1 H 7.14 0.02 1 961 . 140 TYR HE1 H 6.85 0.02 1 962 . 140 TYR HE2 H 6.85 0.02 1 963 . 140 TYR HD2 H 7.14 0.02 1 964 . 141 ASP N N 121.8 0.2 1 965 . 141 ASP H H 8.23 0.02 1 966 . 141 ASP HA H 4.57 0.02 1 967 . 141 ASP HB2 H 2.59 0.02 2 968 . 141 ASP HB3 H 2.69 0.02 2 969 . 142 ALA N N 123.9 0.2 1 970 . 142 ALA H H 8.06 0.02 1 971 . 142 ALA HA H 4.29 0.02 1 972 . 142 ALA HB H 1.41 0.02 1 973 . 143 GLN N N 119.2 0.2 1 974 . 143 GLN H H 8.37 0.02 1 975 . 143 GLN HA H 4.41 0.02 1 976 . 143 GLN HB2 H 2.05 0.02 2 977 . 143 GLN HB3 H 2.18 0.02 2 978 . 143 GLN HG2 H 2.40 0.02 1 979 . 143 GLN HG3 H 2.40 0.02 1 980 . 143 GLN NE2 N 113.5 0.2 1 981 . 143 GLN HE21 H 7.59 0.02 1 982 . 143 GLN HE22 H 6.92 0.02 1 983 . 144 THR N N 115.2 0.2 1 984 . 144 THR H H 8.17 0.02 1 985 . 144 THR HA H 4.38 0.02 1 986 . 144 THR HB H 4.28 0.02 1 987 . 144 THR HG2 H 1.22 0.02 1 988 . 145 GLU N N 128.1 0.2 1 989 . 145 GLU H H 8.03 0.02 1 990 . 145 GLU HA H 4.17 0.02 1 991 . 145 GLU HB2 H 1.93 0.02 2 992 . 145 GLU HB3 H 2.08 0.02 2 993 . 145 GLU HG2 H 2.23 0.02 1 994 . 145 GLU HG3 H 2.23 0.02 1 stop_ save_