data_6071 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Resonance Assignments and Secondary Structure of Human Coactosin Like Protein D123N ; _BMRB_accession_number 6071 _BMRB_flat_file_name bmr6071.str _Entry_type original _Submission_date 2004-01-11 _Accession_date 2004-01-12 _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 Dai Haiming . . 2 Wu Jihui . . 3 Xu Yingqi . . 4 Shi Yunyu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 781 "13C chemical shifts" 584 "15N chemical shifts" 162 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-07-06 original author . stop_ _Original_release_date 2004-07-06 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the editor: 1H, 13C and 15N Resonance Assignments and the Secondary Structures of Human Coactosin Like Protein (hCLP) D123N ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 15213466 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Dai Haiming . . 2 Wu Jihui . . 3 Xu Yingqi . . 4 Yajun Tang . . 5 Husheng Ding . . 6 Shi Yunyu . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 29 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 455 _Page_last 456 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_Coactosin_like_protein _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 . _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 CLP _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 150 _Mol_residue_sequence ; MATKIDKEACRAAYNLVRDD GSAVIWVTFKYDGSTIVPGE QGAEYQHFIQQCTDDVRLFA FVRFTTGDAMSKRSKFALIT WIGENVSGLQRAKTGTDKTL VKEVVQNFAKEFVISDRKEL EENFIKSELKKAGGANYDAQ TELEHHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 THR 4 LYS 5 ILE 6 ASP 7 LYS 8 GLU 9 ALA 10 CYS 11 ARG 12 ALA 13 ALA 14 TYR 15 ASN 16 LEU 17 VAL 18 ARG 19 ASP 20 ASP 21 GLY 22 SER 23 ALA 24 VAL 25 ILE 26 TRP 27 VAL 28 THR 29 PHE 30 LYS 31 TYR 32 ASP 33 GLY 34 SER 35 THR 36 ILE 37 VAL 38 PRO 39 GLY 40 GLU 41 GLN 42 GLY 43 ALA 44 GLU 45 TYR 46 GLN 47 HIS 48 PHE 49 ILE 50 GLN 51 GLN 52 CYS 53 THR 54 ASP 55 ASP 56 VAL 57 ARG 58 LEU 59 PHE 60 ALA 61 PHE 62 VAL 63 ARG 64 PHE 65 THR 66 THR 67 GLY 68 ASP 69 ALA 70 MET 71 SER 72 LYS 73 ARG 74 SER 75 LYS 76 PHE 77 ALA 78 LEU 79 ILE 80 THR 81 TRP 82 ILE 83 GLY 84 GLU 85 ASN 86 VAL 87 SER 88 GLY 89 LEU 90 GLN 91 ARG 92 ALA 93 LYS 94 THR 95 GLY 96 THR 97 ASP 98 LYS 99 THR 100 LEU 101 VAL 102 LYS 103 GLU 104 VAL 105 VAL 106 GLN 107 ASN 108 PHE 109 ALA 110 LYS 111 GLU 112 PHE 113 VAL 114 ILE 115 SER 116 ASP 117 ARG 118 LYS 119 GLU 120 LEU 121 GLU 122 GLU 123 ASN 124 PHE 125 ILE 126 LYS 127 SER 128 GLU 129 LEU 130 LYS 131 LYS 132 ALA 133 GLY 134 GLY 135 ALA 136 ASN 137 TYR 138 ASP 139 ALA 140 GLN 141 THR 142 GLU 143 LEU 144 GLU 145 HIS 146 HIS 147 HIS 148 HIS 149 HIS 150 HIS 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 6283 CLP 94.67 145 99.30 100.00 2.82e-98 PDB 1T2L "Three Crystal Structures Of Human Coactosin-Like Protein" 94.00 141 98.58 99.29 3.41e-96 PDB 1T3X "Three Crystal Structures Of Human Coactosin-Like Protein" 94.00 141 99.29 100.00 2.59e-97 PDB 1T3Y "Three Crystal Structures Of Human Coactosin-Like Protein" 94.00 141 99.29 100.00 2.59e-97 PDB 1TMW "Solution Structure Of Human Coactosin Like Protein D123n" 99.33 149 100.00 100.00 1.89e-105 PDB 1VFQ "The Crystal Structure Of Human Coactosin-Like Protein At 1.9 A Resolution" 94.67 143 99.30 100.00 1.84e-98 PDB 1WNJ "Nmr Structure Of Human Coactosin-Like Protein" 94.67 145 99.30 100.00 2.82e-98 DBJ BAG38040 "unnamed protein product [Homo sapiens]" 94.67 142 99.30 100.00 2.61e-98 DBJ BAJ20994 "coactosin-like 1 [synthetic construct]" 94.67 142 99.30 100.00 2.61e-98 GB AAA88022 "CLP [Homo sapiens]" 94.67 142 99.30 100.00 2.61e-98 GB AAH10039 "Coactosin-like 1 (Dictyostelium) [Homo sapiens]" 94.67 142 99.30 100.00 2.61e-98 GB AAH10884 "Coactosin-like 1 (Dictyostelium) [Homo sapiens]" 94.67 142 99.30 100.00 2.61e-98 GB AAH16702 "Coactosin-like 1 (Dictyostelium) [Homo sapiens]" 94.67 142 99.30 100.00 2.61e-98 GB AAH42970 "Coactosin-like 1 (Dictyostelium) [Homo sapiens]" 94.67 142 98.59 99.30 2.38e-96 REF NP_001248084 "coactosin-like protein [Macaca mulatta]" 94.67 142 98.59 100.00 9.48e-98 REF NP_066972 "coactosin-like protein [Homo sapiens]" 94.67 142 99.30 100.00 2.61e-98 REF XP_001499912 "PREDICTED: coactosin-like protein [Equus caballus]" 94.67 142 97.89 99.30 3.29e-97 REF XP_002761262 "PREDICTED: coactosin-like protein isoform X2 [Callithrix jacchus]" 94.67 142 98.59 100.00 1.65e-97 REF XP_003791341 "PREDICTED: coactosin-like protein [Otolemur garnettii]" 94.67 142 97.18 98.59 2.86e-96 SP Q14019 "RecName: Full=Coactosin-like protein [Homo sapiens]" 94.67 142 99.30 100.00 2.61e-98 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Organ $CLP Human 9606 Eukaryota Metazoa Homo sapiens brain 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_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CLP . mM 1.4 1.6 '[U-99% 15N]' 'PBS buffer' 50 mM . . . NaCl 50 mM . . . D2O 10 % . . . stop_ save_ save_Sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $CLP . mM 1.4 1.6 '[U-99% 13C; U-99% 15N]' 'PBS buffer' 50 mM . . . NaCl 50 mM . . . D2O 10 % . . . stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . _Details . save_ save_NMRDraw _Saveframe_category software _Name NMRDraw _Version . _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version . _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AV500 _Field_strength 500 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AV500 _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H,15N-HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H,15N-HSQC' _Sample_label . save_ save_3D_15N-edited_TOCSY-HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited TOCSY-HSQC' _Sample_label . save_ save_3D_15N-edited_NOESY-HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY-HSQC' _Sample_label . save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HNCACO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label . save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HNCOCA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCA' _Sample_label . save_ save_3D_CBCA(CO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_CBCANH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _Sample_label . save_ save_3D_H(C)(CO)NH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)(CO)NH-TOCSY' _Sample_label . save_ save_3D_(H)C(CO)NH-TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CO)NH-TOCSY' _Sample_label . save_ save_3D_HBHA(CBCACO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CBCACO)NH' _Sample_label . save_ save_3D_HCCH-TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_3D_HCCH-COSY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label . save_ save_13C-edited_NOESY-HSQC_15 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY-HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H,15N-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited TOCSY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-edited NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCOCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCANH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)(CO)NH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CO)NH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CBCACO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_15 _Saveframe_category NMR_applied_experiment _Experiment_name '13C-edited NOESY-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 5.0 0.1 n/a temperature 296 0.5 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 H2O H 1 protons ppm 4.792 internal direct spherical internal parallel 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $Sample_1 $Sample_2 stop_ _Sample_conditions_label $cond1 _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 ALA HA H 4.14 0.01 1 2 . 2 ALA HB H 1.52 0.01 1 3 . 2 ALA C C 173.8 0.1 1 4 . 2 ALA CA C 51.6 0.1 1 5 . 2 ALA CB C 19.6 0.1 1 6 . 3 THR H H 8.72 0.01 1 7 . 3 THR HA H 4.67 0.01 1 8 . 3 THR HB H 3.86 0.01 1 9 . 3 THR HG2 H 1.26 0.01 1 10 . 3 THR C C 173.3 0.1 1 11 . 3 THR CA C 63.1 0.1 1 12 . 3 THR CB C 69.1 0.1 1 13 . 3 THR CG2 C 23.6 0.1 1 14 . 3 THR N N 119.6 0.1 1 15 . 4 LYS H H 8.76 0.01 1 16 . 4 LYS HA H 4.68 0.01 1 17 . 4 LYS HB2 H 1.81 0.01 1 18 . 4 LYS HB3 H 1.81 0.01 1 19 . 4 LYS HG2 H 1.42 0.01 1 20 . 4 LYS HG3 H 1.42 0.01 1 21 . 4 LYS HD2 H 1.63 0.01 1 22 . 4 LYS HD3 H 1.63 0.01 1 23 . 4 LYS HE2 H 2.94 0.01 1 24 . 4 LYS HE3 H 2.94 0.01 1 25 . 4 LYS C C 174.0 0.1 1 26 . 4 LYS CA C 54.5 0.1 1 27 . 4 LYS CB C 35.5 0.1 1 28 . 4 LYS CG C 24.5 0.1 1 29 . 4 LYS CD C 29.1 0.1 1 30 . 4 LYS CE C 39.1 0.1 1 31 . 4 LYS N N 126.3 0.1 1 32 . 5 ILE H H 8.58 0.01 1 33 . 5 ILE HA H 4.85 0.01 1 34 . 5 ILE HB H 1.32 0.01 1 35 . 5 ILE HG12 H 0.27 0.01 1 36 . 5 ILE HG13 H 1.47 0.01 1 37 . 5 ILE HG2 H 0.76 0.01 1 38 . 5 ILE HD1 H 0.34 0.01 1 39 . 5 ILE C C 173.2 0.1 1 40 . 5 ILE CA C 58.9 0.1 1 41 . 5 ILE CB C 41.8 0.1 1 42 . 5 ILE CG1 C 29.6 0.1 1 43 . 5 ILE CG2 C 15.2 0.1 1 44 . 5 ILE CD1 C 14.1 0.1 1 45 . 5 ILE N N 117.5 0.1 1 46 . 6 ASP H H 8.20 0.01 1 47 . 6 ASP HA H 4.77 0.01 1 48 . 6 ASP HB2 H 3.06 0.01 1 49 . 6 ASP HB3 H 2.42 0.01 1 50 . 6 ASP C C 176.2 0.1 1 51 . 6 ASP CA C 52.1 0.1 1 52 . 6 ASP CB C 40.0 0.1 1 53 . 6 ASP N N 125.7 0.1 1 54 . 7 LYS H H 8.18 0.01 1 55 . 7 LYS HA H 3.38 0.01 1 56 . 7 LYS HB2 H 1.65 0.01 1 57 . 7 LYS HB3 H 1.79 0.01 1 58 . 7 LYS HG2 H 1.02 0.01 1 59 . 7 LYS HG3 H 1.45 0.01 1 60 . 7 LYS HD2 H 1.61 0.01 1 61 . 7 LYS HD3 H 1.61 0.01 1 62 . 7 LYS HE2 H 2.85 0.01 1 63 . 7 LYS HE3 H 2.75 0.01 1 64 . 7 LYS C C 177.8 0.1 1 65 . 7 LYS CA C 61.6 0.1 1 66 . 7 LYS CB C 32.7 0.1 1 67 . 7 LYS CG C 26.6 0.1 1 68 . 7 LYS CD C 29.2 0.1 1 69 . 7 LYS CE C 41.6 0.1 1 70 . 7 LYS N N 126.7 0.1 1 71 . 8 GLU H H 8.65 0.01 1 72 . 8 GLU HA H 4.01 0.01 1 73 . 8 GLU HB2 H 2.05 0.01 1 74 . 8 GLU HB3 H 2.05 0.01 1 75 . 8 GLU HG2 H 2.33 0.01 1 76 . 8 GLU HG3 H 2.33 0.01 1 77 . 8 GLU C C 179.6 0.1 1 78 . 8 GLU CA C 59.6 0.1 1 79 . 8 GLU CB C 28.7 0.1 1 80 . 8 GLU CG C 36.4 0.1 1 81 . 8 GLU N N 117.2 0.1 1 82 . 9 ALA H H 7.86 0.01 1 83 . 9 ALA HA H 4.25 0.01 1 84 . 9 ALA HB H 1.40 0.01 1 85 . 9 ALA C C 181.7 0.1 1 86 . 9 ALA CA C 54.7 0.1 1 87 . 9 ALA CB C 18.8 0.1 1 88 . 9 ALA N N 122.5 0.1 1 89 . 10 CYS H H 8.37 0.01 1 90 . 10 CYS HA H 4.19 0.01 1 91 . 10 CYS HB2 H 2.70 0.01 1 92 . 10 CYS HB3 H 2.10 0.01 1 93 . 10 CYS C C 176.2 0.1 1 94 . 10 CYS CA C 64.6 0.1 1 95 . 10 CYS CB C 26.7 0.1 1 96 . 10 CYS N N 115.6 0.1 1 97 . 11 ARG H H 8.80 0.01 1 98 . 11 ARG HA H 3.72 0.01 1 99 . 11 ARG HB2 H 1.90 0.01 1 100 . 11 ARG HB3 H 1.90 0.01 1 101 . 11 ARG HG2 H 1.69 0.01 1 102 . 11 ARG HG3 H 1.69 0.01 1 103 . 11 ARG HD2 H 3.18 0.01 1 104 . 11 ARG HD3 H 3.24 0.01 1 105 . 11 ARG HE H 7.50 0.01 1 106 . 11 ARG C C 177.4 0.1 1 107 . 11 ARG CA C 59.8 0.1 1 108 . 11 ARG CB C 29.9 0.1 1 109 . 11 ARG CG C 27.6 0.1 1 110 . 11 ARG CD C 43.4 0.1 1 111 . 11 ARG N N 121.8 0.1 1 112 . 11 ARG NE N 116.1 0.1 1 113 . 12 ALA H H 7.57 0.01 1 114 . 12 ALA HA H 4.18 0.01 1 115 . 12 ALA HB H 1.54 0.01 1 116 . 12 ALA C C 180.0 0.1 1 117 . 12 ALA CA C 55.2 0.1 1 118 . 12 ALA CB C 17.7 0.1 1 119 . 12 ALA N N 120.4 0.1 1 120 . 13 ALA H H 7.17 0.01 1 121 . 13 ALA HA H 4.23 0.01 1 122 . 13 ALA HB H 1.60 0.01 1 123 . 13 ALA C C 178.2 0.1 1 124 . 13 ALA CA C 54.9 0.1 1 125 . 13 ALA CB C 18.2 0.1 1 126 . 13 ALA N N 121.3 0.1 1 127 . 14 TYR H H 8.09 0.01 1 128 . 14 TYR HA H 4.12 0.01 1 129 . 14 TYR HB2 H 3.14 0.01 1 130 . 14 TYR HB3 H 2.73 0.01 1 131 . 14 TYR C C 176.4 0.1 1 132 . 14 TYR CA C 60.5 0.1 1 133 . 14 TYR CB C 38.8 0.1 1 134 . 14 TYR N N 118.9 0.1 1 135 . 15 ASN H H 8.56 0.01 1 136 . 15 ASN HA H 4.00 0.01 1 137 . 15 ASN HB2 H 2.69 0.01 1 138 . 15 ASN HB3 H 2.83 0.01 1 139 . 15 ASN HD21 H 7.49 0.01 1 140 . 15 ASN HD22 H 6.78 0.01 1 141 . 15 ASN C C 177.7 0.1 1 142 . 15 ASN CA C 55.3 0.1 1 143 . 15 ASN CB C 37.5 0.1 1 144 . 15 ASN CG C 175.8 0.1 1 145 . 15 ASN N N 116.4 0.1 1 146 . 15 ASN ND2 N 110.8 0.1 1 147 . 16 LEU H H 7.63 0.01 1 148 . 16 LEU HA H 4.19 0.01 1 149 . 16 LEU HB2 H 1.87 0.01 1 150 . 16 LEU HB3 H 1.75 0.01 1 151 . 16 LEU HG H 1.67 0.01 1 152 . 16 LEU HD1 H 0.93 0.01 1 153 . 16 LEU HD2 H 0.85 0.01 1 154 . 16 LEU C C 178.8 0.1 1 155 . 16 LEU CA C 58.1 0.1 1 156 . 16 LEU CB C 42.3 0.1 1 157 . 16 LEU CG C 26.4 0.1 1 158 . 16 LEU CD1 C 21.9 0.1 1 159 . 16 LEU CD2 C 21.9 0.1 1 160 . 16 LEU N N 121.6 0.1 1 161 . 17 VAL H H 7.13 0.01 1 162 . 17 VAL HA H 3.80 0.01 1 163 . 17 VAL HB H 2.20 0.01 1 164 . 17 VAL HG1 H 1.02 0.01 1 165 . 17 VAL HG2 H 0.89 0.01 1 166 . 17 VAL C C 177.7 0.1 1 167 . 17 VAL CA C 64.8 0.1 1 168 . 17 VAL CB C 32.2 0.1 1 169 . 17 VAL CG1 C 24.9 0.1 1 170 . 17 VAL CG2 C 23.2 0.1 1 171 . 17 VAL N N 117.7 0.1 1 172 . 18 ARG H H 7.39 0.01 1 173 . 18 ARG HA H 4.02 0.01 1 174 . 18 ARG HB2 H 1.40 0.01 1 175 . 18 ARG HB3 H 1.61 0.01 1 176 . 18 ARG HG2 H 1.19 0.01 1 177 . 18 ARG HG3 H 0.86 0.01 1 178 . 18 ARG HD2 H 2.37 0.01 1 179 . 18 ARG HD3 H 2.49 0.01 1 180 . 18 ARG HE H 6.73 0.01 1 181 . 18 ARG C C 175.5 0.1 1 182 . 18 ARG CA C 57.54 0.1 1 183 . 18 ARG CB C 30.01 0.1 1 184 . 18 ARG CG C 27.02 0.1 1 185 . 18 ARG CD C 42.5 0.1 1 186 . 18 ARG N N 116.4 0.1 1 187 . 18 ARG NE N 114.8 0.1 1 188 . 19 ASP H H 7.21 0.01 1 189 . 19 ASP HA H 4.48 0.01 1 190 . 19 ASP HB2 H 3.02 0.01 1 191 . 19 ASP HB3 H 2.67 0.01 1 192 . 19 ASP C C 176.5 0.1 1 193 . 19 ASP CA C 53.8 0.1 1 194 . 19 ASP CB C 41.0 0.1 1 195 . 19 ASP N N 119.4 0.1 1 196 . 20 ASP H H 8.63 0.01 1 197 . 20 ASP HA H 4.31 0.01 1 198 . 20 ASP HB2 H 2.66 0.01 1 199 . 20 ASP HB3 H 2.66 0.01 1 200 . 20 ASP C C 177.3 0.1 1 201 . 20 ASP CA C 56.3 0.1 1 202 . 20 ASP CB C 40.6 0.1 1 203 . 20 ASP N N 127.0 0.1 1 204 . 21 GLY H H 8.72 0.01 1 205 . 21 GLY HA2 H 3.68 0.01 1 206 . 21 GLY HA3 H 4.13 0.01 1 207 . 21 GLY C C 174.7 0.1 1 208 . 21 GLY CA C 45.2 0.1 1 209 . 21 GLY N N 107.2 0.1 1 210 . 22 SER H H 7.64 0.01 1 211 . 22 SER HA H 4.39 0.01 1 212 . 22 SER HB2 H 4.00 0.01 1 213 . 22 SER HB3 H 4.00 0.01 1 214 . 22 SER C C 174.9 0.1 1 215 . 22 SER CA C 57.4 0.1 1 216 . 22 SER CB C 64.6 0.1 1 217 . 22 SER N N 116.3 0.1 1 218 . 23 ALA H H 8.59 0.01 1 219 . 23 ALA HA H 4.18 0.01 1 220 . 23 ALA HB H 1.41 0.01 1 221 . 23 ALA C C 176.7 0.1 1 222 . 23 ALA CA C 52.7 0.1 1 223 . 23 ALA CB C 18.6 0.1 1 224 . 23 ALA N N 125.8 0.1 1 225 . 24 VAL H H 7.72 0.01 1 226 . 24 VAL HA H 3.40 0.01 1 227 . 24 VAL HB H 1.67 0.01 1 228 . 24 VAL HG1 H 0.69 0.01 1 229 . 24 VAL HG2 H 0.61 0.01 1 230 . 24 VAL C C 175.0 0.1 1 231 . 24 VAL CA C 63.4 0.1 1 232 . 24 VAL CB C 32.3 0.1 1 233 . 24 VAL CG1 C 21.2 0.1 1 234 . 24 VAL CG2 C 22.2 0.1 1 235 . 24 VAL N N 118.6 0.1 1 236 . 25 ILE H H 8.05 0.01 1 237 . 25 ILE HA H 4.52 0.01 1 238 . 25 ILE HB H 2.29 0.01 1 239 . 25 ILE HG12 H 1.17 0.01 1 240 . 25 ILE HG13 H 1.46 0.01 1 241 . 25 ILE HG2 H 0.93 0.01 1 242 . 25 ILE HD1 H 0.91 0.01 1 243 . 25 ILE C C 173.8 0.1 1 244 . 25 ILE CA C 60.8 0.1 1 245 . 25 ILE CB C 39.3 0.1 1 246 . 25 ILE CG1 C 27.3 0.1 1 247 . 25 ILE CG2 C 18.2 0.1 1 248 . 25 ILE CD1 C 13.9 0.1 1 249 . 25 ILE N N 119.2 0.1 1 250 . 26 TRP H H 7.62 0.01 1 251 . 26 TRP HA H 5.65 0.01 1 252 . 26 TRP HB2 H 2.86 0.01 1 253 . 26 TRP HB3 H 2.71 0.01 1 254 . 26 TRP HE1 H 9.31 0.01 1 255 . 26 TRP C C 173.3 0.1 1 256 . 26 TRP CA C 54.6 0.1 1 257 . 26 TRP CB C 32.9 0.1 1 258 . 26 TRP N N 116.1 0.1 1 259 . 26 TRP NE1 N 126.9 0.1 1 260 . 27 VAL H H 8.30 0.01 1 261 . 27 VAL HA H 4.97 0.01 1 262 . 27 VAL HB H 2.09 0.01 1 263 . 27 VAL HG1 H 0.88 0.01 1 264 . 27 VAL HG2 H 0.90 0.01 1 265 . 27 VAL C C 174.6 0.1 1 266 . 27 VAL CA C 59.6 0.1 1 267 . 27 VAL CB C 35.0 0.1 1 268 . 27 VAL CG1 C 19.3 0.1 1 269 . 27 VAL CG2 C 21.1 0.1 1 270 . 27 VAL N N 112.5 0.1 1 271 . 28 THR H H 8.33 0.01 1 272 . 28 THR HA H 5.59 0.01 1 273 . 28 THR HB H 4.45 0.01 1 274 . 28 THR HG2 H 1.47 0.01 1 275 . 28 THR C C 173.9 0.1 1 276 . 28 THR CA C 58.7 0.1 1 277 . 28 THR CB C 72.8 0.1 1 278 . 28 THR CG2 C 20.9 0.1 1 279 . 28 THR N N 110.4 0.1 1 280 . 29 PHE H H 9.74 0.01 1 281 . 29 PHE HA H 5.35 0.01 1 282 . 29 PHE HB2 H 2.94 0.01 1 283 . 29 PHE HB3 H 2.94 0.01 1 284 . 29 PHE C C 173.9 0.1 1 285 . 29 PHE CA C 56.0 0.1 1 286 . 29 PHE CB C 39.8 0.1 1 287 . 29 PHE N N 121.2 0.1 1 288 . 30 LYS H H 9.47 0.01 1 289 . 30 LYS HA H 5.22 0.01 1 290 . 30 LYS HB2 H 1.83 0.01 1 291 . 30 LYS HB3 H 2.09 0.01 1 292 . 30 LYS HG2 H 1.09 0.01 1 293 . 30 LYS HG3 H 1.37 0.01 1 294 . 30 LYS HD2 H 1.77 0.01 1 295 . 30 LYS HD3 H 1.77 0.01 1 296 . 30 LYS HE2 H 3.05 0.01 1 297 . 30 LYS HE3 H 2.91 0.01 1 298 . 30 LYS C C 174.0 0.1 1 299 . 30 LYS CA C 53.1 0.1 1 300 . 30 LYS CB C 37.0 0.1 1 301 . 30 LYS CG C 24.2 0.1 1 302 . 30 LYS CD C 29.6 0.1 1 303 . 30 LYS CE C 42.0 0.1 1 304 . 30 LYS N N 120.7 0.1 1 305 . 31 TYR H H 8.91 0.01 1 306 . 31 TYR HA H 4.53 0.01 1 307 . 31 TYR HB2 H 2.92 0.01 1 308 . 31 TYR HB3 H 2.92 0.01 1 309 . 31 TYR C C 176.9 0.1 1 310 . 31 TYR CA C 59.0 0.1 1 311 . 31 TYR CB C 38.7 0.1 1 312 . 31 TYR N N 117.6 0.1 1 313 . 32 ASP H H 9.42 0.01 1 314 . 32 ASP HA H 4.84 0.01 1 315 . 32 ASP HB2 H 2.93 0.01 1 316 . 32 ASP HB3 H 2.34 0.01 1 317 . 32 ASP C C 176.8 0.1 1 318 . 32 ASP CA C 52.6 0.1 1 319 . 32 ASP CB C 41.3 0.1 1 320 . 32 ASP N N 126.6 0.1 1 321 . 33 GLY H H 8.72 0.01 1 322 . 33 GLY HA2 H 4.13 0.01 1 323 . 33 GLY HA3 H 3.65 0.01 1 324 . 33 GLY C C 175.1 0.01 1 325 . 33 GLY CA C 47.6 0.1 1 326 . 33 GLY N N 113.9 0.1 1 327 . 34 SER H H 8.85 0.01 1 328 . 34 SER HA H 4.79 0.01 1 329 . 34 SER HB2 H 4.06 0.01 1 330 . 34 SER HB3 H 4.06 0.01 1 331 . 34 SER C C 172.3 0.1 1 332 . 34 SER CA C 57.8 0.1 1 333 . 34 SER CB C 63.8 0.1 1 334 . 34 SER N N 123.9 0.1 1 335 . 35 THR H H 7.82 0.01 1 336 . 35 THR HA H 4.86 0.01 1 337 . 35 THR HB H 4.04 0.01 1 338 . 35 THR HG2 H 0.99 0.01 1 339 . 35 THR C C 172.7 0.1 1 340 . 35 THR CA C 61.3 0.1 1 341 . 35 THR CB C 70.2 0.1 1 342 . 35 THR CG2 C 19.1 0.1 1 343 . 35 THR N N 117.2 0.1 1 344 . 36 ILE H H 8.89 0.01 1 345 . 36 ILE HA H 4.50 0.01 1 346 . 36 ILE HB H 1.14 0.01 1 347 . 36 ILE HG12 H 1.18 0.01 1 348 . 36 ILE HG13 H -0.21 0.01 1 349 . 36 ILE HG2 H 0.52 0.01 1 350 . 36 ILE HD1 H 0.38 0.01 1 351 . 36 ILE C C 174.1 0.1 1 352 . 36 ILE CA C 61.6 0.1 1 353 . 36 ILE CB C 38.1 0.1 1 354 . 36 ILE CG1 C 27.6 0.1 1 355 . 36 ILE CG2 C 17.3 0.1 1 356 . 36 ILE CD1 C 14.2 0.1 1 357 . 36 ILE N N 128.3 0.1 1 358 . 37 VAL H H 9.03 0.01 1 359 . 37 VAL HA H 4.78 0.01 1 360 . 37 VAL HB H 2.39 0.01 1 361 . 37 VAL HG1 H 0.76 0.01 1 362 . 37 VAL HG2 H 0.98 0.01 1 363 . 37 VAL C C 173.2 0.1 1 364 . 37 VAL CA C 58.1 0.1 1 365 . 37 VAL CB C 33.5 0.1 1 366 . 37 VAL CG1 C 18.4 0.1 1 367 . 37 VAL CG2 C 22.4 0.1 1 368 . 37 VAL N N 120.3 0.1 1 369 . 38 PRO HA H 4.79 0.01 1 370 . 38 PRO HB2 H 2.28 0.01 1 371 . 38 PRO HB3 H 2.02 0.01 1 372 . 38 PRO HG2 H 1.77 0.01 9 373 . 38 PRO HG3 H 2.18 0.01 9 374 . 38 PRO HD2 H 3.01 0.01 9 375 . 38 PRO HD3 H 3.81 0.01 9 376 . 38 PRO C C 176.5 0.1 1 377 . 38 PRO CA C 64.1 0.1 1 378 . 38 PRO CB C 31.7 0.1 1 379 . 38 PRO CG C 26.3 0.1 9 380 . 39 GLY H H 8.96 0.01 1 381 . 39 GLY HA2 H 4.40 0.01 1 382 . 39 GLY HA3 H 3.41 0.01 1 383 . 39 GLY C C 173.4 0.01 1 384 . 39 GLY CA C 44.7 0.1 1 385 . 39 GLY N N 113.1 0.1 1 386 . 40 GLU H H 8.36 0.01 1 387 . 40 GLU HA H 4.46 0.01 1 388 . 40 GLU HB2 H 2.25 0.01 1 389 . 40 GLU HB3 H 1.88 0.01 1 390 . 40 GLU HG2 H 2.47 0.01 1 391 . 40 GLU HG3 H 2.35 0.01 1 392 . 40 GLU C C 173.9 0.1 1 393 . 40 GLU CA C 55.8 0.1 1 394 . 40 GLU CB C 31.8 0.1 1 395 . 40 GLU CG C 36.3 0.1 1 396 . 40 GLU N N 125.0 0.1 1 397 . 41 GLN H H 8.13 0.01 1 398 . 41 GLN HA H 4.38 0.01 1 399 . 41 GLN HB2 H 2.17 0.01 1 400 . 41 GLN HB3 H 1.85 0.01 1 401 . 41 GLN HG2 H 1.68 0.01 1 402 . 41 GLN HG3 H 1.68 0.01 1 403 . 41 GLN HE21 H 7.30 0.01 1 404 . 41 GLN HE22 H 6.40 0.01 1 405 . 41 GLN C C 174.1 0.1 1 406 . 41 GLN CA C 52.7 0.1 1 407 . 41 GLN CB C 32.3 0.1 1 408 . 41 GLN CG C 32.3 0.1 1 409 . 41 GLN CD C 179.7 0.1 1 410 . 41 GLN N N 117.1 0.1 1 411 . 41 GLN NE2 N 109.5 0.1 1 412 . 42 GLY H H 6.71 0.01 1 413 . 42 GLY HA2 H 3.99 0.01 1 414 . 42 GLY HA3 H 3.44 0.01 1 415 . 42 GLY C C 170.8 0.1 1 416 . 42 GLY CA C 45.9 0.1 1 417 . 42 GLY N N 103.7 0.1 1 418 . 43 ALA H H 8.21 0.01 1 419 . 43 ALA HA H 4.69 0.01 1 420 . 43 ALA HB H 1.45 0.01 1 421 . 43 ALA C C 176.8 0.1 1 422 . 43 ALA CA C 52.2 0.1 1 423 . 43 ALA CB C 22.0 0.1 1 424 . 43 ALA N N 120.1 0.1 1 425 . 44 GLU H H 8.19 0.01 1 426 . 44 GLU HA H 4.83 0.01 1 427 . 44 GLU HB2 H 2.04 0.01 1 428 . 44 GLU HB3 H 1.91 0.01 1 429 . 44 GLU HG2 H 2.19 0.01 1 430 . 44 GLU HG3 H 2.19 0.01 1 431 . 44 GLU C C 178.2 0.1 1 432 . 44 GLU CA C 54.9 0.1 1 433 . 44 GLU CB C 31.1 0.1 1 434 . 44 GLU CG C 33.5 0.1 1 435 . 44 GLU N N 116.6 0.1 1 436 . 45 TYR H H 9.97 0.01 1 437 . 45 TYR HA H 3.82 0.01 1 438 . 45 TYR HB2 H 2.93 0.01 1 439 . 45 TYR HB3 H 3.10 0.01 1 440 . 45 TYR C C 177.3 0.1 1 441 . 45 TYR CA C 63.5 0.1 1 442 . 45 TYR CB C 38.4 0.1 1 443 . 45 TYR N N 132.3 0.1 1 444 . 46 GLN H H 9.36 0.01 1 445 . 46 GLN HA H 3.79 0.01 1 446 . 46 GLN HB2 H 2.07 0.01 1 447 . 46 GLN HB3 H 1.95 0.01 1 448 . 46 GLN HG2 H 2.30 0.01 1 449 . 46 GLN HG3 H 2.20 0.01 1 450 . 46 GLN HE21 H 7.50 0.01 1 451 . 46 GLN HE22 H 6.92 0.01 1 452 . 46 GLN C C 177.9 0.1 1 453 . 46 GLN CA C 58.9 0.1 1 454 . 46 GLN CB C 27.3 0.1 1 455 . 46 GLN CG C 33.0 0.1 1 456 . 46 GLN CD C 179.5 0.1 1 457 . 46 GLN N N 116.4 0.1 1 458 . 46 GLN NE2 N 112.6 0.1 1 459 . 47 HIS H H 7.17 0.01 1 460 . 47 HIS HA H 4.41 0.01 1 461 . 47 HIS HB2 H 3.58 0.01 1 462 . 47 HIS HB3 H 3.58 0.01 1 463 . 47 HIS C C 177.1 0.1 1 464 . 47 HIS CA C 57.3 0.1 1 465 . 47 HIS CB C 30.9 0.1 1 466 . 47 HIS N N 115.7 0.1 1 467 . 48 PHE H H 6.97 0.01 1 468 . 48 PHE HA H 2.36 0.01 1 469 . 48 PHE HB2 H 1.92 0.01 1 470 . 48 PHE HB3 H 0.31 0.01 1 471 . 48 PHE C C 176.8 0.1 1 472 . 48 PHE CA C 58.8 0.1 1 473 . 48 PHE CB C 34.7 0.1 1 474 . 48 PHE N N 122.0 0.1 1 475 . 49 ILE H H 6.40 0.01 1 476 . 49 ILE HA H 2.27 0.01 1 477 . 49 ILE HB H 1.50 0.01 1 478 . 49 ILE HG12 H 0.47 0.01 1 479 . 49 ILE HG13 H 1.06 0.01 1 480 . 49 ILE HG2 H 0.48 0.01 1 481 . 49 ILE HD1 H 0.75 0.01 1 482 . 49 ILE C C 178.3 0.1 1 483 . 49 ILE CA C 65.2 0.1 1 484 . 49 ILE CB C 36.8 0.1 1 485 . 49 ILE CG1 C 28.2 0.1 1 486 . 49 ILE CG2 C 16.5 0.1 1 487 . 49 ILE CD1 C 13.0 0.1 1 488 . 49 ILE N N 118.3 0.1 1 489 . 50 GLN H H 6.59 0.01 1 490 . 50 GLN HA H 3.62 0.01 1 491 . 50 GLN HB2 H 1.93 0.01 1 492 . 50 GLN HB3 H 1.93 0.01 1 493 . 50 GLN HG2 H 2.27 0.01 1 494 . 50 GLN HG3 H 2.37 0.01 1 495 . 50 GLN HE21 H 7.37 0.01 1 496 . 50 GLN HE22 H 6.74 0.01 1 497 . 50 GLN C C 177.1 0.1 1 498 . 50 GLN CA C 57.3 0.1 1 499 . 50 GLN CB C 28.3 0.1 1 500 . 50 GLN CG C 33.8 0.1 1 501 . 50 GLN CD C 179.7 01. 1 502 . 50 GLN N N 113.8 0.1 1 503 . 50 GLN NE2 N 111.5 0.1 1 504 . 51 GLN H H 7.13 0.01 1 505 . 51 GLN HA H 3.77 0.01 1 506 . 51 GLN HB2 H 1.71 0.01 1 507 . 51 GLN HB3 H 2.03 0.01 1 508 . 51 GLN HG2 H 2.39 0.01 1 509 . 51 GLN HG3 H 1.96 0.01 1 510 . 51 GLN HE21 H 7.45 0.01 1 511 . 51 GLN HE22 H 6.95 0.01 1 512 . 51 GLN C C 176.3 0.1 1 513 . 51 GLN CA C 55.4 0.1 1 514 . 51 GLN CB C 28.4 0.1 1 515 . 51 GLN CG C 33.3 0.1 1 516 . 51 GLN CD C 178.8 0.1 1 517 . 51 GLN N N 114.5 0.1 1 518 . 51 GLN NE2 N 114.9 0.1 1 519 . 52 CYS H H 6.51 0.01 1 520 . 52 CYS HA H 3.03 0.01 1 521 . 52 CYS HB2 H 1.57 0.01 1 522 . 52 CYS HB3 H -0.79 0.01 1 523 . 52 CYS C C 173.7 0.1 1 524 . 52 CYS CA C 58.2 0.1 1 525 . 52 CYS CB C 23.9 0.1 1 526 . 52 CYS N N 118.5 0.1 1 527 . 53 THR H H 6.76 0.01 1 528 . 53 THR HA H 4.42 0.01 1 529 . 53 THR HB H 4.58 0.01 1 530 . 53 THR HG2 H 1.00 0.01 1 531 . 53 THR C C 176.7 0.1 1 532 . 53 THR CA C 60.4 0.1 1 533 . 53 THR CB C 70.2 0.1 1 534 . 53 THR CG2 C 18.9 0.1 1 535 . 53 THR N N 111.6 0.1 1 536 . 54 ASP H H 9.08 0.01 1 537 . 54 ASP HA H 4.73 0.01 1 538 . 54 ASP HB2 H 2.76 0.01 1 539 . 54 ASP HB3 H 2.63 0.01 1 540 . 54 ASP C C 175.0 0.1 1 541 . 54 ASP CA C 57.2 0.1 1 542 . 54 ASP CB C 41.0 0.1 1 543 . 54 ASP N N 119.1 0.1 1 544 . 55 ASP H H 8.19 0.01 1 545 . 55 ASP HA H 4.59 0.01 1 546 . 55 ASP HB2 H 2.56 0.01 1 547 . 55 ASP HB3 H 2.76 0.01 1 548 . 55 ASP C C 175.4 0.1 1 549 . 55 ASP CA C 53.6 0.1 1 550 . 55 ASP CB C 42.0 0.1 1 551 . 55 ASP N N 114.0 0.1 1 552 . 56 VAL H H 7.28 0.01 1 553 . 56 VAL HA H 4.88 0.01 1 554 . 56 VAL HB H 2.19 0.01 1 555 . 56 VAL HG1 H 1.16 0.01 1 556 . 56 VAL HG2 H 1.02 0.01 1 557 . 56 VAL C C 173.6 0.1 1 558 . 56 VAL CA C 59.8 0.1 1 559 . 56 VAL CB C 35.9 0.1 1 560 . 56 VAL CG1 C 20.2 0.1 1 561 . 56 VAL CG2 C 20.8 0.1 1 562 . 56 VAL N N 115.1 0.1 1 563 . 57 ARG H H 7.93 0.01 1 564 . 57 ARG HA H 5.53 0.01 1 565 . 57 ARG HB2 H 1.90 0.01 1 566 . 57 ARG HB3 H 1.62 0.01 1 567 . 57 ARG HG2 H 1.73 0.01 1 568 . 57 ARG HG3 H 1.63 0.01 1 569 . 57 ARG HD2 H 2.81 0.01 1 570 . 57 ARG HD3 H 2.98 0.01 1 571 . 57 ARG HE H 6.69 0.01 1 572 . 57 ARG C C 174.1 0.1 1 573 . 57 ARG CA C 52.7 0.1 1 574 . 57 ARG CB C 33.0 0.1 1 575 . 57 ARG CG C 26.0 0.1 1 576 . 57 ARG CD C 43.9 0.1 1 577 . 57 ARG N N 118.2 0.1 1 578 . 57 ARG NE N 116.9 0.1 1 579 . 58 LEU H H 9.47 0.01 1 580 . 58 LEU HA H 4.85 0.01 1 581 . 58 LEU HB2 H 2.25 0.01 1 582 . 58 LEU HB3 H 1.86 0.01 1 583 . 58 LEU HG H 1.86 0.01 1 584 . 58 LEU HD1 H 0.94 0.01 1 585 . 58 LEU HD2 H 0.94 0.01 1 586 . 58 LEU C C 173.7 0.1 1 587 . 58 LEU CA C 54.9 0.1 1 588 . 58 LEU CB C 45.1 0.1 1 589 . 58 LEU CG C 26.1 0.1 1 590 . 58 LEU CD1 C 24.7 0.1 1 591 . 58 LEU CD2 C 27.4 0.1 1 592 . 58 LEU N N 118.9 0.1 1 593 . 59 PHE H H 8.78 0.01 1 594 . 59 PHE HA H 5.89 0.01 1 595 . 59 PHE HB2 H 3.12 0.01 1 596 . 59 PHE HB3 H 3.12 0.01 1 597 . 59 PHE C C 175.2 0.1 1 598 . 59 PHE CA C 55.4 0.1 1 599 . 59 PHE CB C 42.5 0.1 1 600 . 59 PHE N N 117.0 0.1 1 601 . 60 ALA H H 10.09 0.01 1 602 . 60 ALA HA H 5.54 0.01 1 603 . 60 ALA HB H 1.21 0.01 1 604 . 60 ALA C C 174.3 0.1 1 605 . 60 ALA CA C 51.0 0.1 1 606 . 60 ALA CB C 25.0 0.1 1 607 . 60 ALA N N 124.3 0.1 1 608 . 61 PHE H H 8.68 0.01 1 609 . 61 PHE HA H 5.88 0.01 1 610 . 61 PHE HB2 H 3.12 0.01 1 611 . 61 PHE HB3 H 2.95 0.01 1 612 . 61 PHE C C 173.9 0.1 1 613 . 61 PHE CA C 56.6 0.1 1 614 . 61 PHE CB C 43.1 0.1 1 615 . 61 PHE N N 123.6 0.1 1 616 . 62 VAL H H 8.24 0.01 1 617 . 62 VAL HA H 4.96 0.01 1 618 . 62 VAL HB H 1.66 0.01 1 619 . 62 VAL HG1 H 0.37 0.01 1 620 . 62 VAL HG2 H 0.32 0.01 1 621 . 62 VAL C C 173.4 0.1 1 622 . 62 VAL CA C 60.3 0.1 1 623 . 62 VAL CB C 36.3 0.1 1 624 . 62 VAL CG1 C 20.2 0.1 1 625 . 62 VAL CG2 C 21.7 0.1 1 626 . 62 VAL N N 124.8 0.1 1 627 . 63 ARG H H 8.88 0.01 1 628 . 63 ARG HA H 4.20 0.01 1 629 . 63 ARG HB2 H 1.46 0.01 1 630 . 63 ARG HB3 H 1.64 0.01 1 631 . 63 ARG HG2 H 2.27 0.01 9 632 . 63 ARG HD2 H 3.09 0.01 9 633 . 63 ARG HD3 H 2.57 0.01 9 634 . 63 ARG HE H 6.93 0.01 1 635 . 63 ARG C C 174.1 0.1 1 636 . 63 ARG CA C 54.8 0.1 1 637 . 63 ARG CB C 33.6 0.1 1 638 . 63 ARG CG C 28.0 0.1 1 639 . 63 ARG CD C 43.5 0.1 1 640 . 63 ARG N N 126.4 0.1 1 641 . 63 ARG NE N 115.1 0.1 1 642 . 64 PHE H H 8.77 0.01 1 643 . 64 PHE HA H 4.56 0.01 1 644 . 64 PHE HB2 H 2.64 0.01 1 645 . 64 PHE HB3 H 2.50 0.01 1 646 . 64 PHE C C 175.3 0.1 1 647 . 64 PHE CA C 57.0 0.1 1 648 . 64 PHE CB C 41.6 0.1 1 649 . 64 PHE N N 124.5 0.1 1 650 . 65 THR H H 8.86 0.01 1 651 . 65 THR HA H 4.83 0.01 1 652 . 65 THR HB H 3.95 0.01 1 653 . 65 THR HG2 H 1.13 0.01 1 654 . 65 THR C C 174.3 0.1 1 655 . 65 THR CA C 62.0 0.1 1 656 . 65 THR CB C 70.1 0.1 1 657 . 65 THR CG2 C 21.8 0.1 1 658 . 65 THR N N 119.4 0.1 1 659 . 66 THR H H 8.55 0.01 1 660 . 66 THR HA H 4.60 0.01 1 661 . 66 THR HB H 4.16 0.01 1 662 . 66 THR HG2 H 1.00 0.01 1 663 . 66 THR C C 173.9 0.1 1 664 . 66 THR CA C 60.6 0.1 1 665 . 66 THR CB C 70.5 0.1 1 666 . 66 THR CG2 C 18.6 0.1 1 667 . 66 THR N N 117.3 0.1 1 668 . 67 GLY H H 8.27 0.01 1 669 . 67 GLY HA2 H 4.27 0.01 1 670 . 67 GLY HA3 H 3.87 0.01 1 671 . 67 GLY C C 173.2 0.1 1 672 . 67 GLY CA C 44.6 0.1 1 673 . 67 GLY N N 109.7 0.1 1 674 . 68 ASP H H 7.99 0.01 1 675 . 68 ASP HA H 4.62 0.01 1 676 . 68 ASP HB2 H 2.77 0.01 1 677 . 68 ASP HB3 H 2.63 0.01 1 678 . 68 ASP C C 175.8 0.1 1 679 . 68 ASP CA C 53.1 0.1 1 680 . 68 ASP CB C 42.2 0.1 1 681 . 68 ASP N N 119.8 0.1 1 682 . 69 ALA H H 8.42 0.01 1 683 . 69 ALA HA H 4.02 0.01 1 684 . 69 ALA HB H 1.42 0.01 1 685 . 69 ALA C C 178.7 0.1 1 686 . 69 ALA CA C 54.5 0.1 1 687 . 69 ALA CB C 18.4 0.1 1 688 . 69 ALA N N 121.7 0.1 1 689 . 70 MET H H 8.24 0.01 1 690 . 70 MET HA H 4.46 0.01 1 691 . 70 MET HB2 H 2.63 0.01 1 692 . 70 MET HB3 H 2.49 0.01 1 693 . 70 MET HG2 H 2.09 0.01 1 694 . 70 MET HG3 H 2.14 0.01 1 695 . 70 MET C C 176.8 0.1 1 696 . 70 MET CA C 56.3 0.1 1 697 . 70 MET CB C 32.1 0.1 1 698 . 70 MET CG C 31.9 0.1 1 699 . 70 MET N N 116.1 0.1 1 700 . 71 SER H H 8.03 0.01 1 701 . 71 SER HA H 4.52 0.01 1 702 . 71 SER HB2 H 3.85 0.01 1 703 . 71 SER HB3 H 3.85 0.01 1 704 . 71 SER C C 173.7 0.1 1 705 . 71 SER CA C 57.5 0.1 1 706 . 71 SER CB C 63.7 0.1 1 707 . 71 SER N N 115.4 0.1 1 708 . 72 LYS H H 8.04 0.01 1 709 . 72 LYS HA H 4.52 0.01 1 710 . 72 LYS HB2 H 1.68 0.01 1 711 . 72 LYS HB3 H 1.68 0.01 1 712 . 72 LYS HG2 H 1.35 0.01 1 713 . 72 LYS HG3 H 1.28 0.01 1 714 . 72 LYS HD2 H 1.55 0.01 1 715 . 72 LYS HD3 H 1.55 0.01 1 716 . 72 LYS HE2 H 2.89 0.01 1 717 . 72 LYS HE3 H 2.89 0.01 1 718 . 72 LYS C C 176.7 0.1 1 719 . 72 LYS CA C 56.7 0.1 1 720 . 72 LYS CB C 32.9 0.1 1 721 . 72 LYS CG C 24.4 0.1 1 722 . 72 LYS CD C 29.0 0.1 1 723 . 72 LYS CE C 41.8 0.1 1 724 . 72 LYS N N 123.3 0.1 1 725 . 73 ARG H H 8.54 0.01 1 726 . 73 ARG HA H 4.55 0.01 1 727 . 73 ARG HB2 H 1.67 0.01 1 728 . 73 ARG HB3 H 1.75 0.01 1 729 . 73 ARG HG2 H 1.57 0.01 1 730 . 73 ARG HG3 H 1.57 0.01 1 731 . 73 ARG HD2 H 3.17 0.01 1 732 . 73 ARG HD3 H 3.11 0.01 1 733 . 73 ARG HE H 7.20 0.01 1 734 . 73 ARG C C 175.7 0.1 1 735 . 73 ARG CA C 55.1 0.1 1 736 . 73 ARG CB C 32.5 0.1 1 737 . 73 ARG CG C 26.6 0.1 1 738 . 73 ARG CD C 43.2 0.1 1 739 . 73 ARG N N 122.5 0.1 1 740 . 73 ARG NE N 116.9 0.1 1 741 . 74 SER H H 8.63 0.01 1 742 . 74 SER HA H 5.17 0.01 1 743 . 74 SER HB2 H 3.50 0.01 1 744 . 74 SER HB3 H 3.21 0.01 1 745 . 74 SER C C 173.4 0.1 1 746 . 74 SER CA C 58.1 0.1 1 747 . 74 SER CB C 65.1 0.1 1 748 . 74 SER N N 118.0 0.1 1 749 . 75 LYS H H 8.61 0.01 1 750 . 75 LYS HA H 4.60 0.01 1 751 . 75 LYS HB2 H 1.57 0.01 1 752 . 75 LYS HB3 H 1.57 0.01 1 753 . 75 LYS HG2 H 1.38 0.01 1 754 . 75 LYS HG3 H 1.38 0.01 1 755 . 75 LYS HE2 H 2.87 0.01 1 756 . 75 LYS HE3 H 2.87 0.01 1 757 . 75 LYS C C 174.1 0.1 1 758 . 75 LYS CA C 54.5 0.1 1 759 . 75 LYS CB C 37.8 0.1 1 760 . 75 LYS CG C 25.5 0.1 1 761 . 75 LYS CE C 39.6 0.1 1 762 . 75 LYS N N 122.0 0.1 1 763 . 76 PHE H H 8.62 0.01 1 764 . 76 PHE HA H 5.58 0.01 1 765 . 76 PHE HB2 H 2.97 0.01 1 766 . 76 PHE HB3 H 2.97 0.01 1 767 . 76 PHE C C 175.2 0.1 1 768 . 76 PHE CA C 56.4 0.1 1 769 . 76 PHE CB C 42.6 0.1 1 770 . 76 PHE N N 118.9 0.1 1 771 . 77 ALA H H 9.36 0.01 1 772 . 77 ALA HA H 5.60 0.01 1 773 . 77 ALA HB H 1.58 0.01 1 774 . 77 ALA C C 174.8 0.1 1 775 . 77 ALA CA C 50.2 0.1 1 776 . 77 ALA CB C 23.2 0.1 1 777 . 77 ALA N N 123.5 0.1 1 778 . 78 LEU H H 7.76 0.01 1 779 . 78 LEU HA H 5.54 0.01 1 780 . 78 LEU HB2 H 1.15 0.01 1 781 . 78 LEU HB3 H 0.74 0.01 1 782 . 78 LEU HG H 1.68 0.01 1 783 . 78 LEU HD1 H 0.97 0.01 1 784 . 78 LEU HD2 H 0.39 0.01 1 785 . 78 LEU C C 175.0 0.1 1 786 . 78 LEU CA C 53.7 0.1 1 787 . 78 LEU CB C 43.8 0.1 1 788 . 78 LEU CG C 27.0 0.1 1 789 . 78 LEU CD1 C 22.4 0.1 1 790 . 78 LEU CD2 C 26.2 0.1 1 791 . 78 LEU N N 122.3 0.1 1 792 . 79 ILE H H 9.81 0.01 1 793 . 79 ILE HA H 4.95 0.01 1 794 . 79 ILE HB H 1.79 0.01 1 795 . 79 ILE HG12 H 1.68 0.01 1 796 . 79 ILE HG13 H 1.05 0.01 1 797 . 79 ILE HG2 H 0.99 0.01 1 798 . 79 ILE HD1 H 0.86 0.01 1 799 . 79 ILE C C 174.9 0.1 1 800 . 79 ILE CA C 60.6 0.1 1 801 . 79 ILE CB C 42.9 0.1 1 802 . 79 ILE CG1 C 28.6 0.1 1 803 . 79 ILE CG2 C 16.5 0.1 1 804 . 79 ILE CD1 C 17.3 0.1 1 805 . 79 ILE N N 128.2 0.1 1 806 . 80 THR H H 9.05 0.01 1 807 . 80 THR HA H 4.82 0.01 1 808 . 80 THR HB H 4.24 0.01 1 809 . 80 THR HG2 H 0.95 0.01 1 810 . 80 THR C C 172.9 0.1 1 811 . 80 THR CA C 63.3 0.1 1 812 . 80 THR CB C 69.0 0.1 1 813 . 80 THR CG2 C 20.9 0.1 1 814 . 80 THR N N 126.2 0.1 1 815 . 81 TRP H H 9.26 0.01 1 816 . 81 TRP HA H 5.52 0.01 1 817 . 81 TRP HB2 H 2.90 0.01 1 818 . 81 TRP HB3 H 2.90 0.01 1 819 . 81 TRP HE1 H 10.11 0.01 1 820 . 81 TRP C C 174.6 0.1 1 821 . 81 TRP CA C 55.1 0.1 1 822 . 81 TRP CB C 31.0 0.1 1 823 . 81 TRP N N 128.9 0.1 1 824 . 81 TRP NE1 N 128.5 0.1 1 825 . 82 ILE H H 7.33 0.01 1 826 . 82 ILE HA H 3.79 0.01 1 827 . 82 ILE HB H 1.18 0.01 1 828 . 82 ILE HG12 H 1.30 0.01 1 829 . 82 ILE HG13 H 0.65 0.01 1 830 . 82 ILE HG2 H 0.54 0.01 1 831 . 82 ILE HD1 H 0.65 0.01 1 832 . 82 ILE C C 174.2 0.1 1 833 . 82 ILE CA C 59.6 0.1 1 834 . 82 ILE CB C 39.4 0.1 1 835 . 82 ILE CG1 C 27.3 0.1 1 836 . 82 ILE CG2 C 18.2 0.1 1 837 . 82 ILE CD1 C 14.2 0.1 1 838 . 82 ILE N N 124.6 0.1 1 839 . 83 GLY H H 7.94 0.01 1 840 . 83 GLY HA2 H 3.81 0.01 1 841 . 83 GLY HA3 H 3.81 0.01 1 842 . 83 GLY C C 175.7 0.1 1 843 . 83 GLY CA C 46.2 0.1 1 844 . 83 GLY N N 114.1 0.1 1 845 . 84 GLU H H 9.42 0.01 1 846 . 84 GLU HA H 3.95 0.01 1 847 . 84 GLU HB2 H 1.92 0.01 1 848 . 84 GLU HB3 H 2.05 0.01 1 849 . 84 GLU HG2 H 2.24 0.01 1 850 . 84 GLU HG3 H 2.24 0.01 1 851 . 84 GLU C C 177.0 0.1 1 852 . 84 GLU CA C 58.9 0.1 1 853 . 84 GLU CB C 30.1 0.1 1 854 . 84 GLU CG C 35.7 0.1 1 855 . 84 GLU N N 121.0 0.1 1 856 . 85 ASN H H 8.64 0.01 1 857 . 85 ASN HA H 4.83 0.01 1 858 . 85 ASN HB2 H 2.96 0.01 1 859 . 85 ASN HB3 H 2.58 0.01 1 860 . 85 ASN HD21 H 7.66 0.01 1 861 . 85 ASN HD22 H 6.92 0.01 1 862 . 85 ASN C C 175.9 0.1 1 863 . 85 ASN CA C 52.6 0.1 1 864 . 85 ASN CB C 38.1 0.1 1 865 . 85 ASN CG C 176.8 0.1 1 866 . 85 ASN N N 114.1 0.1 1 867 . 85 ASN ND2 N 113.2 0.1 1 868 . 86 VAL H H 7.40 0.01 1 869 . 86 VAL HA H 3.78 0.01 1 870 . 86 VAL HB H 1.92 0.01 1 871 . 86 VAL HG1 H 0.84 0.01 1 872 . 86 VAL HG2 H 0.62 0.01 1 873 . 86 VAL C C 176.3 0.1 1 874 . 86 VAL CA C 63.3 0.1 1 875 . 86 VAL CB C 31.1 0.1 1 876 . 86 VAL CG1 C 21.3 0.1 1 877 . 86 VAL CG2 C 22.4 0.1 1 878 . 86 VAL N N 122.9 0.1 1 879 . 87 SER H H 8.77 0.01 1 880 . 87 SER HA H 4.28 0.01 1 881 . 87 SER HB2 H 4.21 0.01 1 882 . 87 SER HB3 H 3.99 0.01 1 883 . 87 SER C C 174.8 0.1 1 884 . 87 SER CA C 58.0 0.1 1 885 . 87 SER CB C 65.0 0.1 1 886 . 87 SER N N 124.5 0.1 1 887 . 88 GLY H H 8.93 0.01 1 888 . 88 GLY HA2 H 3.97 0.01 1 889 . 88 GLY HA3 H 3.71 0.01 1 890 . 88 GLY C C 177.1 0.1 1 891 . 88 GLY CA C 47.6 0.1 1 892 . 88 GLY N N 109.9 0.1 1 893 . 89 LEU H H 8.33 0.01 1 894 . 89 LEU HA H 4.16 0.01 1 895 . 89 LEU HB2 H 1.59 0.01 1 896 . 89 LEU HB3 H 1.51 0.01 1 897 . 89 LEU HG H 1.57 0.01 1 898 . 89 LEU HD1 H 0.88 0.01 1 899 . 89 LEU HD2 H 0.85 0.01 1 900 . 89 LEU C C 179.3 0.1 1 901 . 89 LEU CA C 58.0 0.1 1 902 . 89 LEU CB C 42.1 0.1 1 903 . 89 LEU CG C 26.8 0.1 1 904 . 89 LEU CD1 C 24.3 0.1 1 905 . 89 LEU CD2 C 20.8 0.1 1 906 . 89 LEU N N 123.0 0.1 1 907 . 90 GLN H H 7.56 0.01 1 908 . 90 GLN HA H 3.88 0.01 1 909 . 90 GLN HB2 H 1.49 0.01 1 910 . 90 GLN HB3 H 2.07 0.01 1 911 . 90 GLN HG2 H 2.07 0.01 1 912 . 90 GLN HG3 H 2.31 0.01 1 913 . 90 GLN HE21 H 7.27 0.01 1 914 . 90 GLN HE22 H 6.73 0.01 1 915 . 90 GLN C C 179.6 0.1 1 916 . 90 GLN CA C 58.8 0.1 1 917 . 90 GLN CB C 28.5 0.1 1 918 . 90 GLN CG C 34.6 0.1 1 919 . 90 GLN CD C 179.3 0.1 1 920 . 90 GLN N N 117.5 0.1 1 921 . 90 GLN NE2 N 110.9 0.1 1 922 . 91 ARG H H 8.79 0.01 1 923 . 91 ARG HA H 3.65 0.01 1 924 . 91 ARG HB2 H 1.67 0.01 1 925 . 91 ARG HB3 H 1.90 0.01 1 926 . 91 ARG HG2 H 1.35 0.01 1 927 . 91 ARG HG3 H 1.41 0.01 1 928 . 91 ARG HD2 H 3.25 0.01 1 929 . 91 ARG HD3 H 3.05 0.01 1 930 . 91 ARG HE H 7.23 0.01 1 931 . 91 ARG C C 178.3 0.1 1 932 . 91 ARG CA C 60.0 0.1 1 933 . 91 ARG CB C 30.0 0.1 1 934 . 91 ARG CG C 27.7 0.1 1 935 . 91 ARG CD C 42.8 0.1 1 936 . 91 ARG N N 123.4 0.1 1 937 . 91 ARG NE N 114.7 0.1 1 938 . 92 ALA H H 7.92 0.01 1 939 . 92 ALA HA H 4.11 0.01 1 940 . 92 ALA HB H 1.49 0.01 1 941 . 92 ALA C C 180.7 0.1 1 942 . 92 ALA CA C 55.0 0.1 1 943 . 92 ALA CB C 18.0 0.1 1 944 . 92 ALA N N 122.5 0.1 1 945 . 93 LYS H H 7.92 0.01 1 946 . 93 LYS HA H 4.11 0.01 1 947 . 93 LYS HB2 H 1.99 0.01 1 948 . 93 LYS HB3 H 1.74 0.01 1 949 . 93 LYS HG2 H 1.63 0.01 1 950 . 93 LYS HG3 H 1.51 0.01 1 951 . 93 LYS HD2 H 1.65 0.01 9 952 . 93 LYS HD3 H 1.65 0.01 9 953 . 93 LYS HE2 H 2.95 0.01 1 954 . 93 LYS HE3 H 2.95 0.01 1 955 . 93 LYS C C 178.0 0.1 1 956 . 93 LYS CA C 58.7 0.1 1 957 . 93 LYS CB C 32.2 0.1 1 958 . 93 LYS CG C 24.8 0.1 1 959 . 93 LYS CD C 28.8 0.1 9 960 . 93 LYS CE C 41.5 0.1 1 961 . 93 LYS N N 118.3 0.1 1 962 . 94 THR H H 7.79 0.01 1 963 . 94 THR HA H 4.16 0.01 1 964 . 94 THR HB H 4.17 0.01 1 965 . 94 THR HG2 H 1.16 0.01 1 966 . 94 THR C C 176.1 0.1 1 967 . 94 THR CA C 67.4 0.1 1 968 . 94 THR CB C 69.2 0.1 1 969 . 94 THR CG2 C 19.6 0.1 1 970 . 94 THR N N 115.0 0.1 1 971 . 95 GLY H H 7.63 0.01 1 972 . 95 GLY HA2 H 4.03 0.01 1 973 . 95 GLY HA3 H 3.83 0.01 1 974 . 95 GLY C C 176.1 0.1 1 975 . 95 GLY CA C 47.5 0.1 1 976 . 95 GLY N N 106.0 0.1 1 977 . 96 THR H H 7.63 0.01 1 978 . 96 THR HA H 4.22 0.01 1 979 . 96 THR HB H 4.29 0.01 1 980 . 96 THR HG2 H 1.29 0.01 1 981 . 96 THR C C 177.0 0.1 1 982 . 96 THR CA C 65.3 0.1 1 983 . 96 THR CB C 68.7 0.1 1 984 . 96 THR CG2 C 22.0 0.1 1 985 . 96 THR N N 116.5 0.1 1 986 . 97 ASP H H 8.69 0.01 1 987 . 97 ASP HA H 4.39 0.01 1 988 . 97 ASP HB2 H 2.70 0.01 1 989 . 97 ASP HB3 H 3.14 0.01 1 990 . 97 ASP C C 177.4 0.1 1 991 . 97 ASP CA C 56.7 0.1 1 992 . 97 ASP CB C 40.2 0.1 1 993 . 97 ASP N N 124.3 0.1 1 994 . 98 LYS H H 7.84 0.01 1 995 . 98 LYS HA H 3.47 0.01 1 996 . 98 LYS HB2 H 2.05 0.01 1 997 . 98 LYS HB3 H 1.97 0.01 1 998 . 98 LYS HG2 H 1.52 0.01 1 999 . 98 LYS HG3 H 1.52 0.01 1 1000 . 98 LYS HD2 H 1.80 0.01 1 1001 . 98 LYS HD3 H 1.80 0.01 1 1002 . 98 LYS HE2 H 3.09 0.01 1 1003 . 98 LYS HE3 H 2.97 0.01 1 1004 . 98 LYS C C 177.3 0.1 1 1005 . 98 LYS CA C 59.3 0.1 1 1006 . 98 LYS CB C 31.9 0.1 1 1007 . 98 LYS CG C 23.5 0.1 1 1008 . 98 LYS CD C 29.9 0.1 1 1009 . 98 LYS CE C 40.8 0.1 1 1010 . 98 LYS N N 119.5 0.1 1 1011 . 99 THR H H 7.51 0.01 1 1012 . 99 THR HA H 3.66 0.01 1 1013 . 99 THR HB H 4.16 0.01 1 1014 . 99 THR HG2 H 1.24 0.01 1 1015 . 99 THR C C 176.0 0.1 1 1016 . 99 THR CA C 66.3 0.1 1 1017 . 99 THR CB C 68.6 0.1 1 1018 . 99 THR CG2 C 21.7 0.1 1 1019 . 99 THR N N 114.0 0.1 1 1020 . 100 LEU H H 7.22 0.01 1 1021 . 100 LEU HA H 3.94 0.01 1 1022 . 100 LEU HB2 H 1.73 0.01 1 1023 . 100 LEU HB3 H 1.22 0.01 1 1024 . 100 LEU HG H 1.57 0.01 1 1025 . 100 LEU HD1 H 0.71 0.01 1 1026 . 100 LEU HD2 H 0.70 0.01 1 1027 . 100 LEU C C 179.0 0.1 1 1028 . 100 LEU CA C 57.4 0.1 1 1029 . 100 LEU CB C 41.2 0.1 1 1030 . 100 LEU CG C 26.8 0.1 1 1031 . 100 LEU CD1 C 23.0 0.1 1 1032 . 100 LEU CD2 C 25.3 0.1 1 1033 . 100 LEU N N 121.1 0.1 1 1034 . 101 VAL H H 6.60 0.01 1 1035 . 101 VAL HA H 2.81 0.01 1 1036 . 101 VAL HB H 1.50 0.01 1 1037 . 101 VAL HG1 H 0.24 0.01 1 1038 . 101 VAL HG2 H -0.25 0.01 1 1039 . 101 VAL C C 178.6 0.1 1 1040 . 101 VAL CA C 65.8 0.1 1 1041 . 101 VAL CB C 31.1 0.1 1 1042 . 101 VAL CG1 C 20.3 0.1 1 1043 . 101 VAL CG2 C 21.4 0.1 1 1044 . 101 VAL N N 117.8 0.1 1 1045 . 102 LYS H H 7.82 0.01 1 1046 . 102 LYS HA H 3.86 0.01 1 1047 . 102 LYS HB2 H 1.96 0.01 1 1048 . 102 LYS HB3 H 1.61 0.01 1 1049 . 102 LYS HD2 H 1.76 0.01 9 1050 . 102 LYS HD3 H 1.76 0.01 9 1051 . 102 LYS C C 176.2 0.1 1 1052 . 102 LYS CA C 59.1 0.1 1 1053 . 102 LYS CB C 32.1 0.1 1 1054 . 102 LYS CD C 33.0 0.1 9 1055 . 102 LYS CE C 42.0 0.1 1 1056 . 102 LYS N N 119.1 0.1 1 1057 . 103 GLU H H 7.17 0.01 1 1058 . 103 GLU HA H 3.89 0.01 1 1059 . 103 GLU HB2 H 1.86 0.01 1 1060 . 103 GLU HB3 H 2.06 0.01 1 1061 . 103 GLU HG2 H 2.52 0.01 1 1062 . 103 GLU HG3 H 2.07 0.01 1 1063 . 103 GLU C C 177.7 0.1 1 1064 . 103 GLU CA C 58.8 0.1 1 1065 . 103 GLU CB C 29.3 0.1 1 1066 . 103 GLU CG C 36.6 0.1 1 1067 . 103 GLU N N 117.2 0.1 1 1068 . 104 VAL H H 6.90 0.01 1 1069 . 104 VAL HA H 3.60 0.01 1 1070 . 104 VAL HB H 1.60 0.01 1 1071 . 104 VAL HG1 H 0.62 0.01 1 1072 . 104 VAL HG2 H 0.35 0.01 1 1073 . 104 VAL C C 174.9 0.1 1 1074 . 104 VAL CA C 63.4 0.1 1 1075 . 104 VAL CB C 32.8 0.1 1 1076 . 104 VAL CG1 C 21.2 0.1 1 1077 . 104 VAL CG2 C 20.5 0.1 1 1078 . 104 VAL N N 115.0 0.1 1 1079 . 105 VAL H H 8.05 0.01 1 1080 . 105 VAL HA H 2.69 0.01 1 1081 . 105 VAL HB H 1.58 0.01 1 1082 . 105 VAL HG1 H 0.32 0.01 1 1083 . 105 VAL HG2 H 0.66 0.01 1 1084 . 105 VAL C C 173.4 0.1 1 1085 . 105 VAL CA C 60.3 0.1 1 1086 . 105 VAL CB C 29.3 0.1 1 1087 . 105 VAL CG1 C 20.2 0.1 1 1088 . 105 VAL CG2 C 23.1 0.1 1 1089 . 105 VAL N N 119.3 0.1 1 1090 . 106 GLN H H 6.12 0.01 1 1091 . 106 GLN HA H 4.14 0.01 1 1092 . 106 GLN HB2 H 1.70 0.01 1 1093 . 106 GLN HB3 H 1.93 0.01 1 1094 . 106 GLN HG2 H 2.04 0.01 1 1095 . 106 GLN HG3 H 1.95 0.01 1 1096 . 106 GLN HE21 H 7.35 0.01 1 1097 . 106 GLN HE22 H 6.74 0.01 1 1098 . 106 GLN C C 176.0 0.1 1 1099 . 106 GLN CA C 57.3 0.1 1 1100 . 106 GLN CB C 30.8 0.1 1 1101 . 106 GLN CG C 34.1 0.1 1 1102 . 106 GLN CD C 180.4 0.1 1 1103 . 106 GLN N N 119.4 0.1 1 1104 . 106 GLN NE2 N 112.5 0.1 1 1105 . 107 ASN H H 7.88 0.01 1 1106 . 107 ASN HA H 4.70 0.01 1 1107 . 107 ASN HB2 H 2.73 0.01 1 1108 . 107 ASN HB3 H 2.56 0.01 1 1109 . 107 ASN HD21 H 7.34 0.01 1 1110 . 107 ASN HD22 H 6.86 0.01 1 1111 . 107 ASN C C 172.8 0.1 1 1112 . 107 ASN CA C 52.9 0.1 1 1113 . 107 ASN CB C 40.0 0.1 1 1114 . 107 ASN CG C 177.0 0.1 1 1115 . 107 ASN N N 116.2 0.1 1 1116 . 107 ASN ND2 N 112.6 0.1 1 1117 . 108 PHE H H 7.31 0.01 1 1118 . 108 PHE HA H 4.88 0.01 1 1119 . 108 PHE HB2 H 3.33 0.01 1 1120 . 108 PHE HB3 H 3.14 0.01 1 1121 . 108 PHE C C 173.8 0.1 1 1122 . 108 PHE CA C 55.9 0.1 1 1123 . 108 PHE CB C 39.5 0.1 1 1124 . 108 PHE N N 116.3 0.1 1 1125 . 109 ALA H H 9.37 0.01 1 1126 . 109 ALA HA H 4.43 0.01 1 1127 . 109 ALA HB H 1.68 0.01 1 1128 . 109 ALA C C 174.7 0.1 1 1129 . 109 ALA CA C 54.1 0.1 1 1130 . 109 ALA CB C 19.8 0.1 1 1131 . 109 ALA N N 123.6 0.1 1 1132 . 110 LYS H H 7.49 0.01 1 1133 . 110 LYS HA H 4.49 0.01 1 1134 . 110 LYS HB2 H 1.58 0.01 1 1135 . 110 LYS HB3 H 1.37 0.01 1 1136 . 110 LYS HG2 H 1.18 0.01 1 1137 . 110 LYS HG3 H 0.83 0.01 1 1138 . 110 LYS HD2 H 1.32 0.01 1 1139 . 110 LYS HD3 H 1.48 0.01 1 1140 . 110 LYS HE2 H 2.64 0.01 1 1141 . 110 LYS HE3 H 2.83 0.01 1 1142 . 110 LYS C C 173.2 0.1 1 1143 . 110 LYS CA C 55.3 0.1 1 1144 . 110 LYS CB C 36.9 0.1 1 1145 . 110 LYS CG C 25.3 0.1 1 1146 . 110 LYS CD C 29.1 0.1 1 1147 . 110 LYS CE C 41.8 0.1 1 1148 . 110 LYS N N 114.7 0.1 1 1149 . 111 GLU H H 8.24 0.01 1 1150 . 111 GLU HA H 5.83 0.01 1 1151 . 111 GLU HB2 H 2.01 0.01 1 1152 . 111 GLU HB3 H 1.66 0.01 1 1153 . 111 GLU HG2 H 2.15 0.01 1 1154 . 111 GLU HG3 H 2.03 0.01 1 1155 . 111 GLU C C 174.6 0.1 1 1156 . 111 GLU CA C 52.9 0.1 1 1157 . 111 GLU CB C 32.3 0.1 1 1158 . 111 GLU CG C 35.5 0.1 1 1159 . 111 GLU N N 122.3 0.1 1 1160 . 112 PHE H H 8.88 0.01 1 1161 . 112 PHE HA H 4.97 0.01 1 1162 . 112 PHE HB2 H 3.20 0.01 1 1163 . 112 PHE HB3 H 2.79 0.01 1 1164 . 112 PHE C C 175.8 0.1 1 1165 . 112 PHE CA C 56.7 0.1 1 1166 . 112 PHE CB C 44.1 0.1 1 1167 . 112 PHE N N 118.7 0.1 1 1168 . 113 VAL H H 9.15 0.01 1 1169 . 113 VAL HA H 4.97 0.01 1 1170 . 113 VAL HB H 2.05 0.01 1 1171 . 113 VAL HG1 H 0.95 0.01 1 1172 . 113 VAL HG2 H 0.81 0.01 1 1173 . 113 VAL C C 175.2 0.1 1 1174 . 113 VAL CA C 63.0 0.1 1 1175 . 113 VAL CB C 32.1 0.1 1 1176 . 113 VAL CG1 C 20.5 0.1 1 1177 . 113 VAL CG2 C 20.5 0.1 1 1178 . 113 VAL N N 127.3 0.1 1 1179 . 114 ILE H H 9.27 0.01 1 1180 . 114 ILE HA H 4.44 0.01 1 1181 . 114 ILE HB H 1.71 0.01 1 1182 . 114 ILE HG12 H 1.57 0.01 1 1183 . 114 ILE HG13 H 1.36 0.01 1 1184 . 114 ILE HG2 H 1.23 0.01 1 1185 . 114 ILE HD1 H 0.85 0.01 1 1186 . 114 ILE C C 173.2 0.1 1 1187 . 114 ILE CA C 61.0 0.1 1 1188 . 114 ILE CB C 42.8 0.1 1 1189 . 114 ILE CG1 C 27.8 0.1 1 1190 . 114 ILE CG2 C 20.2 0.1 1 1191 . 114 ILE CD1 C 13.7 0.1 1 1192 . 114 ILE N N 129.0 0.1 1 1193 . 115 SER H H 8.83 0.01 1 1194 . 115 SER HA H 3.62 0.01 1 1195 . 115 SER HB2 H 3.43 0.01 1 1196 . 115 SER HB3 H 3.64 0.01 1 1197 . 115 SER C C 171.8 0.1 1 1198 . 115 SER CA C 57.3 0.1 1 1199 . 115 SER CB C 66.3 0.1 1 1200 . 115 SER N N 117.8 0.1 1 1201 . 116 ASP H H 7.36 0.01 1 1202 . 116 ASP HA H 5.03 0.01 1 1203 . 116 ASP HB2 H 2.79 0.01 1 1204 . 116 ASP HB3 H 2.48 0.01 1 1205 . 116 ASP C C 177.2 0.1 1 1206 . 116 ASP CA C 52.3 0.1 1 1207 . 116 ASP CB C 43.9 0.1 1 1208 . 116 ASP N N 123.2 0.1 1 1209 . 117 ARG H H 9.48 0.01 1 1210 . 117 ARG HA H 3.80 0.01 1 1211 . 117 ARG HB2 H 1.71 0.01 1 1212 . 117 ARG HB3 H 1.81 0.01 1 1213 . 117 ARG HG2 H 1.24 0.01 1 1214 . 117 ARG HG3 H 1.76 0.01 1 1215 . 117 ARG HD2 H 2.89 0.01 1 1216 . 117 ARG HD3 H 3.11 0.01 1 1217 . 117 ARG HE H 7.05 0.01 1 1218 . 117 ARG C C 179.1 0.1 1 1219 . 117 ARG CA C 59.7 0.1 1 1220 . 117 ARG CB C 30.3 0.1 1 1221 . 117 ARG CG C 28.8 0.1 1 1222 . 117 ARG CD C 42.7 0.1 1 1223 . 117 ARG N N 126.7 0.1 1 1224 . 117 ARG NE N 115.1 0.1 1 1225 . 118 LYS H H 8.95 0.01 1 1226 . 118 LYS HA H 4.05 0.01 1 1227 . 118 LYS HB2 H 1.62 0.01 1 1228 . 118 LYS HB3 H 1.75 0.01 1 1229 . 118 LYS HG2 H 1.36 0.01 1 1230 . 118 LYS HG3 H 1.36 0.01 1 1231 . 118 LYS HD2 H 1.64 0.01 1 1232 . 118 LYS HD3 H 1.64 0.01 1 1233 . 118 LYS HE2 H 2.93 0.01 1 1234 . 118 LYS HE3 H 2.93 0.01 1 1235 . 118 LYS C C 179.3 0.1 1 1236 . 118 LYS CA C 59.6 0.1 1 1237 . 118 LYS CB C 31.5 0.1 1 1238 . 118 LYS CG C 24.9 0.1 1 1239 . 118 LYS CD C 28.7 0.1 1 1240 . 118 LYS CE C 41.2 0.1 1 1241 . 118 LYS N N 121.4 0.1 1 1242 . 119 GLU H H 7.60 0.01 1 1243 . 119 GLU HA H 3.53 0.01 1 1244 . 119 GLU HB2 H 2.13 0.01 1 1245 . 119 GLU HB3 H 2.13 0.01 1 1246 . 119 GLU HG2 H 1.50 0.01 1 1247 . 119 GLU HG3 H 1.95 0.01 1 1248 . 119 GLU C C 173.9 0.1 1 1249 . 119 GLU CA C 56.8 0.1 1 1250 . 119 GLU CB C 29.3 0.1 1 1251 . 119 GLU CG C 37.1 0.1 1 1252 . 119 GLU N N 117.0 0.1 1 1253 . 120 LEU H H 7.06 0.01 1 1254 . 120 LEU HA H 4.32 0.01 1 1255 . 120 LEU HB2 H 1.72 0.01 1 1256 . 120 LEU HB3 H 1.50 0.01 1 1257 . 120 LEU HG H 1.62 0.01 1 1258 . 120 LEU HD1 H 0.86 0.01 1 1259 . 120 LEU HD2 H 0.38 0.01 1 1260 . 120 LEU C C 177.4 0.1 1 1261 . 120 LEU CA C 53.5 0.1 1 1262 . 120 LEU CB C 43.7 0.1 1 1263 . 120 LEU CG C 26.3 0.1 1 1264 . 120 LEU CD1 C 23.3 0.1 1 1265 . 120 LEU CD2 C 27.3 0.1 1 1266 . 120 LEU N N 111.6 0.1 1 1267 . 121 GLU H H 6.84 0.01 1 1268 . 121 GLU HA H 3.97 0.01 1 1269 . 121 GLU HB2 H 2.26 0.01 1 1270 . 121 GLU HB3 H 2.01 0.01 1 1271 . 121 GLU HG2 H 2.57 0.01 1 1272 . 121 GLU HG3 H 2.35 0.01 1 1273 . 121 GLU C C 177.5 0.1 1 1274 . 121 GLU CA C 58.2 0.1 1 1275 . 121 GLU CB C 29.8 0.1 1 1276 . 121 GLU CG C 36.6 0.1 1 1277 . 121 GLU N N 118.2 0.1 1 1278 . 122 GLU H H 8.96 0.01 1 1279 . 122 GLU HA H 3.48 0.01 1 1280 . 122 GLU HB2 H 1.83 0.01 1 1281 . 122 GLU HB3 H 1.83 0.01 1 1282 . 122 GLU HG2 H 1.76 0.01 1 1283 . 122 GLU HG3 H 1.91 0.01 1 1284 . 122 GLU C C 177.7 0.1 1 1285 . 122 GLU CA C 60.5 0.1 1 1286 . 122 GLU CB C 30.1 0.1 1 1287 . 122 GLU CG C 36.1 0.1 1 1288 . 122 GLU N N 126.2 0.1 1 1289 . 123 ASN H H 8.71 0.01 1 1290 . 123 ASN HA H 4.29 0.01 1 1291 . 123 ASN HB2 H 2.95 0.01 1 1292 . 123 ASN HB3 H 2.69 0.01 1 1293 . 123 ASN HD21 H 7.78 0.01 1 1294 . 123 ASN HD22 H 7.00 0.01 1 1295 . 123 ASN C C 177.9 0.1 1 1296 . 123 ASN CA C 56.3 0.1 1 1297 . 123 ASN CB C 37.7 0.1 1 1298 . 123 ASN CG C 176.5 0.1 1 1299 . 123 ASN N N 114.0 0.1 1 1300 . 123 ASN ND2 N 114.1 0.1 1 1301 . 124 PHE H H 7.70 0.01 1 1302 . 124 PHE HA H 4.22 0.01 1 1303 . 124 PHE HB2 H 3.21 0.01 1 1304 . 124 PHE HB3 H 3.21 0.01 1 1305 . 124 PHE C C 177.5 0.1 1 1306 . 124 PHE CA C 61.2 0.1 1 1307 . 124 PHE CB C 38.6 0.1 1 1308 . 124 PHE N N 123.2 0.1 1 1309 . 125 ILE H H 7.84 0.01 1 1310 . 125 ILE HA H 3.11 0.01 1 1311 . 125 ILE HB H 1.41 0.01 1 1312 . 125 ILE HG12 H 1.25 0.01 1 1313 . 125 ILE HG13 H 0.88 0.01 1 1314 . 125 ILE HG2 H 0.01 0.01 1 1315 . 125 ILE HD1 H 0.23 0.01 1 1316 . 125 ILE C C 178.4 0.1 1 1317 . 125 ILE CA C 63.8 0.1 1 1318 . 125 ILE CB C 35.7 0.1 1 1319 . 125 ILE CG1 C 27.9 0.1 1 1320 . 125 ILE CG2 C 17.0 0.1 1 1321 . 125 ILE CD1 C 9.8 0.1 1 1322 . 125 ILE N N 120.5 0.1 1 1323 . 126 LYS H H 8.28 0.01 1 1324 . 126 LYS HA H 3.29 0.01 1 1325 . 126 LYS HB2 H 1.66 0.01 1 1326 . 126 LYS HB3 H 1.66 0.01 1 1327 . 126 LYS HG2 H 1.36 0.01 1 1328 . 126 LYS HG3 H 0.95 0.01 1 1329 . 126 LYS HD2 H 1.62 0.01 1 1330 . 126 LYS HD3 H 1.62 0.01 1 1331 . 126 LYS HE2 H 2.89 0.01 1 1332 . 126 LYS HE3 H 2.89 0.01 1 1333 . 126 LYS C C 179.1 0.1 1 1334 . 126 LYS CA C 61.0 0.1 1 1335 . 126 LYS CB C 32.2 0.1 1 1336 . 126 LYS CG C 26.7 0.1 1 1337 . 126 LYS CD C 30.1 0.1 1 1338 . 126 LYS CE C 39.4 0.1 1 1339 . 126 LYS N N 117.7 0.1 1 1340 . 127 SER H H 7.54 0.01 1 1341 . 127 SER HA H 4.06 0.01 1 1342 . 127 SER HB2 H 3.92 0.01 1 1343 . 127 SER HB3 H 3.92 0.01 1 1344 . 127 SER C C 177.1 0.1 1 1345 . 127 SER CA C 61.4 0.1 1 1346 . 127 SER CB C 62.9 0.1 1 1347 . 127 SER N N 114.8 0.1 1 1348 . 128 GLU H H 7.63 0.01 1 1349 . 128 GLU HA H 3.94 0.01 1 1350 . 128 GLU HB2 H 2.07 0.01 1 1351 . 128 GLU HB3 H 1.37 0.01 1 1352 . 128 GLU HG2 H 1.89 0.01 1 1353 . 128 GLU HG3 H 1.68 0.01 1 1354 . 128 GLU C C 179.7 0.1 1 1355 . 128 GLU CA C 58.7 0.1 1 1356 . 128 GLU CB C 30.3 0.1 1 1357 . 128 GLU CG C 36.4 0.1 1 1358 . 128 GLU N N 121.6 0.1 1 1359 . 129 LEU H H 8.33 0.01 1 1360 . 129 LEU HA H 3.94 0.01 1 1361 . 129 LEU HB2 H 1.21 0.01 1 1362 . 129 LEU HB3 H 1.79 0.01 1 1363 . 129 LEU HG H 1.75 0.01 1 1364 . 129 LEU HD1 H 0.44 0.01 1 1365 . 129 LEU HD2 H 0.84 0.01 1 1366 . 129 LEU C C 178.4 0.1 1 1367 . 129 LEU CA C 57.1 0.1 1 1368 . 129 LEU CB C 41.7 0.1 1 1369 . 129 LEU CG C 26.3 0.1 1 1370 . 129 LEU CD1 C 26.4 0.1 1 1371 . 129 LEU CD2 C 24.0 0.1 1 1372 . 129 LEU N N 119.6 0.1 1 1373 . 130 LYS H H 7.60 0.01 1 1374 . 130 LYS HA H 3.99 0.01 1 1375 . 130 LYS HB2 H 1.84 0.01 1 1376 . 130 LYS HB3 H 1.84 0.01 1 1377 . 130 LYS HG2 H 1.51 0.01 1 1378 . 130 LYS HG3 H 1.38 0.01 1 1379 . 130 LYS HD2 H 1.63 0.01 1 1380 . 130 LYS HD3 H 1.63 0.01 1 1381 . 130 LYS HE2 H 2.88 0.01 1 1382 . 130 LYS HE3 H 2.88 0.01 1 1383 . 130 LYS C C 177.8 0.1 1 1384 . 130 LYS CA C 58.6 0.1 1 1385 . 130 LYS CB C 32.5 0.1 1 1386 . 130 LYS CG C 24.9 0.1 1 1387 . 130 LYS CD C 29.4 0.1 1 1388 . 130 LYS CE C 41.7 0.1 1 1389 . 130 LYS N N 118.8 0.1 1 1390 . 131 LYS H H 7.36 0.01 1 1391 . 131 LYS HA H 4.12 0.01 1 1392 . 131 LYS HB2 H 1.86 0.01 1 1393 . 131 LYS HB3 H 1.75 0.01 1 1394 . 131 LYS HG2 H 1.63 0.01 1 1395 . 131 LYS HG3 H 1.40 0.01 1 1396 . 131 LYS HD2 H 1.36 0.01 9 1397 . 131 LYS HD3 H 1.36 0.01 9 1398 . 131 LYS HE2 H 2.94 0.01 1 1399 . 131 LYS HE3 H 2.85 0.01 1 1400 . 131 LYS C C 176.8 0.1 1 1401 . 131 LYS CA C 57.3 0.1 1 1402 . 131 LYS CB C 32.9 0.1 1 1403 . 131 LYS CG C 22.6 0.1 1 1404 . 131 LYS CD C 24.7 0.1 1 1405 . 131 LYS CE C 41.7 0.1 1 1406 . 131 LYS N N 118.3 0.1 1 1407 . 132 ALA H H 7.71 0.01 1 1408 . 132 ALA HA H 4.29 0.01 1 1409 . 132 ALA HB H 1.42 0.01 1 1410 . 132 ALA C C 177.9 0.1 1 1411 . 132 ALA CA C 52.7 0.1 1 1412 . 132 ALA CB C 19.3 0.1 1 1413 . 132 ALA N N 123.1 0.1 1 1414 . 133 GLY H H 8.17 0.01 1 1415 . 133 GLY HA2 H 3.97 0.01 1 1416 . 133 GLY HA3 H 3.97 0.01 1 1417 . 133 GLY C C 174.6 0.1 1 1418 . 133 GLY CA C 45.3 0.1 1 1419 . 133 GLY N N 107.8 0.1 1 1420 . 134 GLY H H 8.20 0.01 1 1421 . 134 GLY HA2 H 3.98 0.01 1 1422 . 134 GLY HA3 H 3.98 0.01 1 1423 . 134 GLY C C 173.9 0.1 1 1424 . 134 GLY CA C 45.2 0.1 1 1425 . 134 GLY N N 108.9 0.1 1 1426 . 135 ALA H H 8.24 0.01 1 1427 . 135 ALA HA H 4.25 0.01 1 1428 . 135 ALA HB H 1.29 0.01 1 1429 . 135 ALA C C 177.4 0.1 1 1430 . 135 ALA CA C 52.6 0.1 1 1431 . 135 ALA CB C 19.3 0.1 1 1432 . 135 ALA N N 123.6 0.1 1 1433 . 136 ASN H H 8.35 0.01 1 1434 . 136 ASN HA H 4.64 0.01 1 1435 . 136 ASN HB2 H 2.66 0.01 1 1436 . 136 ASN HB3 H 2.73 0.01 1 1437 . 136 ASN HD21 H 7.55 0.01 1 1438 . 136 ASN HD22 H 6.89 0.01 1 1439 . 136 ASN C C 174.9 0.1 1 1440 . 136 ASN CA C 53.1 0.1 1 1441 . 136 ASN CB C 38.8 0.1 1 1442 . 136 ASN CG C 177.0 0.1 1 1443 . 136 ASN N N 117.6 0.1 1 1444 . 136 ASN ND2 N 113.2 0.1 1 1445 . 137 TYR H H 8.07 0.01 1 1446 . 137 TYR HA H 4.47 0.01 1 1447 . 137 TYR HB2 H 2.98 0.01 1 1448 . 137 TYR HB3 H 2.90 0.01 1 1449 . 137 TYR C C 175.4 0.1 1 1450 . 137 TYR CA C 58.3 0.1 1 1451 . 137 TYR CB C 38.8 0.1 1 1452 . 137 TYR N N 121.1 0.1 1 1453 . 138 ASP H H 8.22 0.01 1 1454 . 138 ASP HA H 4.51 0.01 1 1455 . 138 ASP HB2 H 2.65 0.01 1 1456 . 138 ASP HB3 H 2.55 0.01 1 1457 . 138 ASP C C 175.8 0.1 1 1458 . 138 ASP CA C 54.2 0.1 1 1459 . 138 ASP CB C 41.2 0.1 1 1460 . 138 ASP N N 122.6 0.1 1 1461 . 139 ALA H H 8.15 0.01 1 1462 . 139 ALA HA H 4.16 0.01 1 1463 . 139 ALA HB H 1.38 0.01 1 1464 . 139 ALA C C 178.2 0.1 1 1465 . 139 ALA CA C 53.3 0.1 1 1466 . 139 ALA CB C 19.1 0.1 1 1467 . 139 ALA N N 124.6 0.1 1 1468 . 140 GLN H H 8.32 0.01 1 1469 . 140 GLN HA H 4.25 0.01 1 1470 . 140 GLN HB2 H 2.07 0.01 1 1471 . 140 GLN HB3 H 2.02 0.01 1 1472 . 140 GLN HG2 H 2.33 0.01 1 1473 . 140 GLN HG3 H 2.33 0.01 1 1474 . 140 GLN HE21 H 7.57 0.01 1 1475 . 140 GLN HE22 H 6.79 0.01 1 1476 . 140 GLN C C 176.8 0.1 1 1477 . 140 GLN CA C 56.7 0.1 1 1478 . 140 GLN CB C 29.0 0.1 1 1479 . 140 GLN CG C 33.8 0.1 1 1480 . 140 GLN CD C 180.3 0.1 1 1481 . 140 GLN N N 118.5 0.1 1 1482 . 140 GLN NE2 N 112.6 0.1 1 1483 . 141 THR H H 8.01 0.01 1 1484 . 141 THR HA H 4.18 0.01 1 1485 . 141 THR HB H 4.26 0.01 1 1486 . 141 THR HG2 H 1.15 0.01 1 1487 . 141 THR C C 175.0 0.1 1 1488 . 141 THR CA C 62.9 0.1 1 1489 . 141 THR CB C 69.5 0.1 1 1490 . 141 THR CG2 C 21.5 0.1 1 1491 . 141 THR N N 114.6 0.1 1 1492 . 142 GLU H H 8.26 0.01 1 1493 . 142 GLU HA H 4.20 0.01 1 1494 . 142 GLU HB2 H 1.93 0.01 1 1495 . 142 GLU HB3 H 2.02 0.01 1 1496 . 142 GLU HG2 H 2.23 0.01 1 1497 . 142 GLU HG3 H 2.23 0.01 1 1498 . 142 GLU C C 176.8 0.1 1 1499 . 142 GLU CA C 57.1 0.1 1 1500 . 142 GLU CB C 29.9 0.1 1 1501 . 142 GLU CG C 36.0 0.1 1 1502 . 142 GLU N N 122.6 0.1 1 1503 . 143 LEU H H 8.04 0.01 1 1504 . 143 LEU HA H 4.18 0.01 1 1505 . 143 LEU HB2 H 1.58 0.01 1 1506 . 143 LEU HB3 H 1.58 0.01 1 1507 . 143 LEU HG H 1.58 0.01 1 1508 . 143 LEU HD1 H 0.80 0.01 1 1509 . 143 LEU HD2 H 0.85 0.01 1 1510 . 143 LEU C C 177.7 0.1 1 1511 . 143 LEU CA C 55.8 0.1 1 1512 . 143 LEU CB C 42.3 0.1 1 1513 . 143 LEU CG C 26.8 0.1 1 1514 . 143 LEU CD1 C 23.2 0.1 1 1515 . 143 LEU CD2 C 24.6 0.1 1 1516 . 143 LEU N N 122.0 0.1 1 1517 . 144 GLU H H 8.08 0.01 1 1518 . 144 GLU HA H 4.10 0.01 1 1519 . 144 GLU HB2 H 1.87 0.01 1 1520 . 144 GLU HB3 H 1.87 0.01 1 1521 . 144 GLU HG2 H 2.18 0.01 1 1522 . 144 GLU HG3 H 2.10 0.01 1 1523 . 144 GLU C C 176.4 0.1 1 1524 . 144 GLU CA C 56.9 0.1 1 1525 . 144 GLU CB C 30.1 0.1 1 1526 . 144 GLU CG C 36.1 0.1 1 1527 . 144 GLU N N 120.1 0.1 1 stop_ save_