data_19282 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the lymphocyte receptor NKR-P1A ; _BMRB_accession_number 19282 _BMRB_flat_file_name bmr19282.str _Entry_type original _Submission_date 2013-05-31 _Accession_date 2013-05-31 _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 Chmelik Josef . . 2 Rozbesky Daniel . . 3 Pospisilova Eliska . . 4 Novak Petr . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 831 "13C chemical shifts" 622 "15N chemical shifts" 157 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-06-09 original author . stop_ _Original_release_date 2014-06-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the lymphocyte receptor NKR-P1A reveals a different conformation of the conserved loop compared to crystal structure' _Citation_status 'in preparation' _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 Rozbesky Daniel . . 2 Pospisilova Eliska . . 3 Novak Petr . . 4 Chmelik Josef . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'lymphocyte receptor NKR-P1A' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'lymphocyte receptor NKR-P1A' $NKR-P1A stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NKR-P1A _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NKR-P1A _Molecular_mass 16008.889 _Mol_thiol_state . _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 139 _Mol_residue_sequence ; SAKLECPQDWLSHRDKCFHV SQVSNTWEEGLVDCDGKGAT LMLIQDQEELRFLLDSIKEK YNSFWIGLRYTLPDMNWKWI NGSTLNSDVLKITGDTENDS CAAISGDKVTFESCNSDNRW ICQKELYHETLSNYVGYGH ; loop_ _Residue_seq_code _Residue_label 1 SER 2 ALA 3 LYS 4 LEU 5 GLU 6 CYS 7 PRO 8 GLN 9 ASP 10 TRP 11 LEU 12 SER 13 HIS 14 ARG 15 ASP 16 LYS 17 CYS 18 PHE 19 HIS 20 VAL 21 SER 22 GLN 23 VAL 24 SER 25 ASN 26 THR 27 TRP 28 GLU 29 GLU 30 GLY 31 LEU 32 VAL 33 ASP 34 CYS 35 ASP 36 GLY 37 LYS 38 GLY 39 ALA 40 THR 41 LEU 42 MET 43 LEU 44 ILE 45 GLN 46 ASP 47 GLN 48 GLU 49 GLU 50 LEU 51 ARG 52 PHE 53 LEU 54 LEU 55 ASP 56 SER 57 ILE 58 LYS 59 GLU 60 LYS 61 TYR 62 ASN 63 SER 64 PHE 65 TRP 66 ILE 67 GLY 68 LEU 69 ARG 70 TYR 71 THR 72 LEU 73 PRO 74 ASP 75 MET 76 ASN 77 TRP 78 LYS 79 TRP 80 ILE 81 ASN 82 GLY 83 SER 84 THR 85 LEU 86 ASN 87 SER 88 ASP 89 VAL 90 LEU 91 LYS 92 ILE 93 THR 94 GLY 95 ASP 96 THR 97 GLU 98 ASN 99 ASP 100 SER 101 CYS 102 ALA 103 ALA 104 ILE 105 SER 106 GLY 107 ASP 108 LYS 109 VAL 110 THR 111 PHE 112 GLU 113 SER 114 CYS 115 ASN 116 SER 117 ASP 118 ASN 119 ARG 120 TRP 121 ILE 122 CYS 123 GLN 124 LYS 125 GLU 126 LEU 127 TYR 128 HIS 129 GLU 130 THR 131 LEU 132 SER 133 ASN 134 TYR 135 VAL 136 GLY 137 TYR 138 GLY 139 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2M94 "Nmr Structure Of The Lymphocyte Receptor Nkr-p1a" 100.00 139 100.00 100.00 1.83e-97 PDB 2MTI "Nmr Structure Of The Lymphocyte Receptor Nkr-p1a" 100.00 139 100.00 100.00 1.83e-97 PDB 3M9Z "Crystal Structure Of Extracellular Domain Of Mouse Nkr-p1a" 100.00 139 100.00 100.00 1.83e-97 PDB 3T3A "Crystal Structure Of H107r Mutant Of Extracellular Domain Of Mouse Receptor Nkr-P1a" 100.00 139 99.28 99.28 2.05e-96 EMBL CAA45971 "natural killer cell receptor-P1 [Mus musculus]" 100.00 227 98.56 98.56 1.88e-95 EMBL CAA45976 "natural killer cell receptor-P1 [Mus musculus]" 73.38 182 97.06 98.04 4.12e-65 GB AAA39366 "killer cell surface molecule [Mus musculus domesticus]" 100.00 227 100.00 100.00 2.03e-97 GB AAA39822 "NKR-P1 gene-2 protein [Mus musculus domesticus]" 100.00 227 100.00 100.00 1.71e-97 GB AAI20708 "Killer cell lectin-like receptor subfamily B member 1A [Mus musculus]" 100.00 227 100.00 100.00 2.03e-97 GB AAI45046 "Klrb1a protein [Mus musculus]" 100.00 194 98.56 98.56 1.32e-95 GB AAK39101 "natural killer cell receptor protein NKR-P1A [Mus musculus]" 100.00 227 97.12 98.56 3.30e-94 REF NP_001153374 "killer cell lectin-like receptor subfamily B member 1A isoform 2 [Mus musculus]" 100.00 200 100.00 100.00 2.85e-97 REF NP_034867 "killer cell lectin-like receptor subfamily B member 1A isoform 1 [Mus musculus]" 100.00 233 100.00 100.00 2.92e-97 SP P27811 "RecName: Full=Killer cell lectin-like receptor subfamily B member 1A; Short=NKR-P1A; AltName: Full=CD161 antigen-like family me" 100.00 227 98.56 98.56 2.28e-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 _Strain $NKR-P1A Mouse 10090 Eukaryota Metazoa Mus musculus C57BL/6 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 $NKR-P1A 'recombinant technology' . Escherichia coli . pET-30a(+) stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NKR-P1A 0.5 mM '[U-100% 13C; U-100% 15N]' PIPES 15 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.3.6 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task processing stop_ _Details . save_ save_SPARKY _Saveframe_category software _Name SPARKY _Version 3.113 loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_ARIA _Saveframe_category software _Name ARIA _Version 2.3.1 loop_ _Vendor _Address _Electronic_address 'Linge, O'Donoghue and Nilges' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_CNS _Saveframe_category software _Name CNS _Version 1.21 loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_RECOORD _Saveframe_category software _Name RECOORD _Version . loop_ _Vendor _Address _Electronic_address 'Brunger, Adams, Clore, Gros, Nilges and Read' . . stop_ loop_ _Task refinement stop_ _Details 'using CNS 1.3' save_ save_CING _Saveframe_category software _Name CING _Version . loop_ _Vendor _Address _Electronic_address '(CING) Vuister, Doreleijer, da Silva' . . stop_ loop_ _Task validation stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _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 $sample save_ save_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample save_ save_3D_HNCA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample save_ save_3D_HN(CA)CO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample save_ save_3D_(H)C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CO)NH' _Sample_label $sample save_ save_3D_HCCH-TOCSY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY aliphatic' _Sample_label $sample save_ save_3D_1H-15N_NOESY_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample save_ save_2D_1H-13C_HSQC_aromatic_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample save_ save_3D_HCCH-TOCSY_aromatic_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY aromatic' _Sample_label $sample save_ save_2D_(HB)CB(CGCD)HD_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label $sample save_ save_3D_1H-13C_NOESY_aliphatic_16 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample save_ save_3D_1H-13C_NOESY_aromatic_17 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample save_ save_NMR_spectrometer_expt _Saveframe_category NMR_applied_experiment _Experiment_name . _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_sample_conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.8 . pH pressure 1 . atm temperature 303 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HN(CA)CO' '3D H(CCO)NH' '3D (H)C(CO)NH' '3D HCCH-TOCSY aromatic' '2D (HB)CB(CGCD)HD' stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'lymphocyte receptor NKR-P1A' _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 2 ALA HA H 4.384 0.002 . 2 2 2 ALA HB H 1.395 0.001 . 3 2 2 ALA C C 177.184 0.000 . 4 2 2 ALA CA C 52.459 0.080 . 5 2 2 ALA CB C 19.488 0.063 . 6 3 3 LYS H H 8.272 0.002 . 7 3 3 LYS HA H 4.319 0.002 . 8 3 3 LYS HB2 H 1.766 0.006 . 9 3 3 LYS HB3 H 1.766 0.006 . 10 3 3 LYS HG2 H 1.398 0.005 . 11 3 3 LYS HG3 H 1.398 0.005 . 12 3 3 LYS HD2 H 1.665 0.003 . 13 3 3 LYS HD3 H 1.665 0.003 . 14 3 3 LYS HE2 H 2.984 0.007 . 15 3 3 LYS HE3 H 2.984 0.007 . 16 3 3 LYS C C 176.038 0.006 . 17 3 3 LYS CA C 56.188 0.058 . 18 3 3 LYS CB C 33.261 0.066 . 19 3 3 LYS CG C 24.729 0.063 . 20 3 3 LYS CD C 29.044 0.062 . 21 3 3 LYS CE C 42.281 0.086 . 22 3 3 LYS N N 120.996 0.028 . 23 4 4 LEU H H 8.247 0.006 . 24 4 4 LEU HA H 4.396 0.003 . 25 4 4 LEU HB2 H 1.547 0.005 . 26 4 4 LEU HB3 H 1.482 0.003 . 27 4 4 LEU HG H 1.557 0.006 . 28 4 4 LEU HD1 H 0.816 0.005 . 29 4 4 LEU HD2 H 0.801 0.003 . 30 4 4 LEU C C 175.745 0.001 . 31 4 4 LEU CA C 54.792 0.031 . 32 4 4 LEU CB C 42.683 0.023 . 33 4 4 LEU CG C 26.997 0.040 . 34 4 4 LEU CD1 C 25.089 0.102 . 35 4 4 LEU CD2 C 23.725 0.038 . 36 4 4 LEU N N 124.847 0.075 . 37 5 5 GLU H H 8.093 0.002 . 38 5 5 GLU HA H 4.519 0.006 . 39 5 5 GLU HB2 H 2.058 0.004 . 40 5 5 GLU HB3 H 1.824 0.005 . 41 5 5 GLU HG2 H 2.197 0.003 . 42 5 5 GLU HG3 H 2.197 0.003 . 43 5 5 GLU C C 176.076 0.001 . 44 5 5 GLU CA C 54.997 0.049 . 45 5 5 GLU CB C 32.353 0.105 . 46 5 5 GLU CG C 36.114 0.115 . 47 5 5 GLU N N 120.599 0.038 . 48 6 6 CYS H H 8.750 0.002 . 49 6 6 CYS HA H 4.736 0.004 . 50 6 6 CYS HB2 H 2.893 0.002 . 51 6 6 CYS HB3 H 2.790 0.000 . 52 6 6 CYS C C 172.237 0.000 . 53 6 6 CYS CA C 53.218 0.039 . 54 6 6 CYS CB C 37.445 0.007 . 55 6 6 CYS N N 120.079 0.052 . 56 7 7 PRO HA H 4.349 0.002 . 57 7 7 PRO HB2 H 2.162 0.003 . 58 7 7 PRO HB3 H 1.339 0.004 . 59 7 7 PRO HG2 H 1.446 0.005 . 60 7 7 PRO HG3 H 0.552 0.004 . 61 7 7 PRO HD2 H 3.552 0.004 . 62 7 7 PRO HD3 H 2.568 0.004 . 63 7 7 PRO C C 176.014 0.000 . 64 7 7 PRO CA C 62.472 0.043 . 65 7 7 PRO CB C 31.201 0.034 . 66 7 7 PRO CG C 27.068 0.057 . 67 7 7 PRO CD C 49.713 0.061 . 68 8 8 GLN H H 8.443 0.001 . 69 8 8 GLN HA H 4.108 0.004 . 70 8 8 GLN HB2 H 2.165 0.002 . 71 8 8 GLN HB3 H 2.044 0.003 . 72 8 8 GLN HG2 H 2.485 0.003 . 73 8 8 GLN HG3 H 2.485 0.003 . 74 8 8 GLN HE21 H 7.686 0.002 . 75 8 8 GLN HE22 H 6.886 0.002 . 76 8 8 GLN C C 176.701 0.003 . 77 8 8 GLN CA C 58.086 0.053 . 78 8 8 GLN CB C 28.843 0.043 . 79 8 8 GLN CG C 33.604 0.043 . 80 8 8 GLN N N 120.940 0.074 . 81 8 8 GLN NE2 N 112.771 0.053 . 82 9 9 ASP H H 9.023 0.002 . 83 9 9 ASP HA H 4.516 0.002 . 84 9 9 ASP HB2 H 3.344 0.003 . 85 9 9 ASP HB3 H 3.025 0.012 . 86 9 9 ASP C C 176.201 0.001 . 87 9 9 ASP CA C 56.613 0.050 . 88 9 9 ASP CB C 39.412 0.056 . 89 9 9 ASP N N 116.982 0.019 . 90 10 10 TRP H H 8.440 0.002 . 91 10 10 TRP HA H 5.063 0.005 . 92 10 10 TRP HB2 H 3.292 0.007 . 93 10 10 TRP HB3 H 3.234 0.004 . 94 10 10 TRP HD1 H 7.609 0.003 . 95 10 10 TRP HE1 H 10.315 0.002 . 96 10 10 TRP HE3 H 7.145 0.003 . 97 10 10 TRP HZ2 H 7.240 0.005 . 98 10 10 TRP HZ3 H 6.674 0.006 . 99 10 10 TRP HH2 H 6.655 0.005 . 100 10 10 TRP C C 175.997 0.000 . 101 10 10 TRP CA C 57.664 0.046 . 102 10 10 TRP CB C 29.075 0.043 . 103 10 10 TRP CD1 C 128.146 0.080 . 104 10 10 TRP CE3 C 120.831 0.042 . 105 10 10 TRP CZ2 C 114.423 0.066 . 106 10 10 TRP CZ3 C 120.917 0.112 . 107 10 10 TRP CH2 C 122.279 0.076 . 108 10 10 TRP N N 121.568 0.078 . 109 10 10 TRP NE1 N 131.880 0.044 . 110 11 11 LEU H H 9.613 0.003 . 111 11 11 LEU HA H 4.764 0.007 . 112 11 11 LEU HB2 H 1.858 0.005 . 113 11 11 LEU HB3 H 1.858 0.005 . 114 11 11 LEU HG H 1.866 0.002 . 115 11 11 LEU HD1 H 0.972 0.002 . 116 11 11 LEU HD2 H 0.887 0.002 . 117 11 11 LEU C C 176.837 0.003 . 118 11 11 LEU CA C 54.607 0.028 . 119 11 11 LEU CB C 44.386 0.031 . 120 11 11 LEU CG C 27.459 0.078 . 121 11 11 LEU CD1 C 23.526 0.056 . 122 11 11 LEU CD2 C 25.000 0.046 . 123 11 11 LEU N N 123.195 0.025 . 124 12 12 SER H H 8.733 0.002 . 125 12 12 SER HA H 5.389 0.002 . 126 12 12 SER HB2 H 3.896 0.004 . 127 12 12 SER HB3 H 3.896 0.004 . 128 12 12 SER C C 174.164 0.002 . 129 12 12 SER CA C 57.066 0.029 . 130 12 12 SER CB C 65.488 0.031 . 131 12 12 SER N N 116.705 0.033 . 132 13 13 HIS H H 8.303 0.003 . 133 13 13 HIS HA H 4.305 0.002 . 134 13 13 HIS HB2 H 2.682 0.003 . 135 13 13 HIS HB3 H 2.186 0.004 . 136 13 13 HIS HD2 H 6.764 0.002 . 137 13 13 HIS HE1 H 7.753 0.004 . 138 13 13 HIS C C 173.536 0.002 . 139 13 13 HIS CA C 57.277 0.037 . 140 13 13 HIS CB C 31.952 0.042 . 141 13 13 HIS CD2 C 121.802 0.067 . 142 13 13 HIS CE1 C 137.164 0.013 . 143 13 13 HIS N N 123.615 0.044 . 144 14 14 ARG H H 8.858 0.001 . 145 14 14 ARG HA H 3.522 0.003 . 146 14 14 ARG HB2 H 1.749 0.006 . 147 14 14 ARG HB3 H 1.749 0.006 . 148 14 14 ARG HG2 H 1.239 0.002 . 149 14 14 ARG HG3 H 0.666 0.001 . 150 14 14 ARG HD2 H 3.039 0.001 . 151 14 14 ARG HD3 H 3.039 0.001 . 152 14 14 ARG C C 175.434 0.000 . 153 14 14 ARG CA C 58.414 0.016 . 154 14 14 ARG CB C 27.782 0.079 . 155 14 14 ARG CG C 26.686 0.067 . 156 14 14 ARG CD C 43.725 0.041 . 157 14 14 ARG N N 125.609 0.045 . 158 15 15 ASP HA H 4.763 0.014 . 159 15 15 ASP HB2 H 2.933 0.004 . 160 15 15 ASP HB3 H 2.840 0.002 . 161 15 15 ASP C C 174.250 0.002 . 162 15 15 ASP CA C 54.485 0.038 . 163 15 15 ASP CB C 40.448 0.063 . 164 16 16 LYS H H 8.289 0.002 . 165 16 16 LYS HA H 5.016 0.004 . 166 16 16 LYS HB2 H 1.753 0.003 . 167 16 16 LYS HB3 H 1.297 0.005 . 168 16 16 LYS HG2 H 1.562 0.005 . 169 16 16 LYS HG3 H 1.238 0.006 . 170 16 16 LYS HD2 H 1.855 0.003 . 171 16 16 LYS HD3 H 1.578 0.005 . 172 16 16 LYS HE2 H 2.981 0.001 . 173 16 16 LYS HE3 H 2.896 0.002 . 174 16 16 LYS C C 175.472 0.002 . 175 16 16 LYS CA C 55.564 0.037 . 176 16 16 LYS CB C 38.305 0.039 . 177 16 16 LYS CG C 26.360 0.035 . 178 16 16 LYS CD C 30.472 0.057 . 179 16 16 LYS CE C 42.444 0.000 . 180 16 16 LYS N N 118.266 0.039 . 181 17 17 CYS H H 8.492 0.002 . 182 17 17 CYS HA H 5.934 0.003 . 183 17 17 CYS HB2 H 3.186 0.005 . 184 17 17 CYS HB3 H 2.593 0.004 . 185 17 17 CYS C C 174.859 0.001 . 186 17 17 CYS CA C 52.547 0.023 . 187 17 17 CYS CB C 43.197 0.053 . 188 17 17 CYS N N 118.232 0.045 . 189 18 18 PHE H H 10.029 0.005 . 190 18 18 PHE HA H 6.246 0.005 . 191 18 18 PHE HB2 H 3.050 0.003 . 192 18 18 PHE HB3 H 2.946 0.006 . 193 18 18 PHE HD1 H 7.246 0.004 . 194 18 18 PHE HD2 H 7.246 0.004 . 195 18 18 PHE HE1 H 7.317 0.008 . 196 18 18 PHE HE2 H 7.317 0.008 . 197 18 18 PHE HZ H 7.450 0.003 . 198 18 18 PHE C C 174.238 0.002 . 199 18 18 PHE CA C 56.427 0.078 . 200 18 18 PHE CB C 43.190 0.032 . 201 18 18 PHE CD1 C 131.696 0.083 . 202 18 18 PHE CD2 C 131.696 0.083 . 203 18 18 PHE CE1 C 131.566 0.133 . 204 18 18 PHE CE2 C 131.566 0.133 . 205 18 18 PHE CZ C 129.981 0.025 . 206 18 18 PHE N N 121.121 0.034 . 207 19 19 HIS H H 8.624 0.002 . 208 19 19 HIS HA H 4.363 0.004 . 209 19 19 HIS HB2 H 1.252 0.005 . 210 19 19 HIS HB3 H 0.152 0.005 . 211 19 19 HIS HE1 H 7.584 0.007 . 212 19 19 HIS C C 172.933 0.002 . 213 19 19 HIS CA C 55.082 0.071 . 214 19 19 HIS CB C 30.399 0.038 . 215 19 19 HIS CE1 C 138.439 0.012 . 216 19 19 HIS N N 122.393 0.058 . 217 20 20 VAL H H 7.880 0.001 . 218 20 20 VAL HA H 4.191 0.006 . 219 20 20 VAL HB H 1.700 0.002 . 220 20 20 VAL HG1 H 0.772 0.004 . 221 20 20 VAL HG2 H 0.598 0.003 . 222 20 20 VAL C C 174.971 0.001 . 223 20 20 VAL CA C 61.049 0.039 . 224 20 20 VAL CB C 32.109 0.045 . 225 20 20 VAL CG1 C 22.183 0.022 . 226 20 20 VAL CG2 C 20.101 0.053 . 227 20 20 VAL N N 128.351 0.044 . 228 21 21 SER H H 8.802 0.003 . 229 21 21 SER HA H 3.904 0.004 . 230 21 21 SER HB2 H 3.086 0.003 . 231 21 21 SER HB3 H 2.303 0.004 . 232 21 21 SER C C 173.842 0.009 . 233 21 21 SER CA C 59.417 0.050 . 234 21 21 SER CB C 62.993 0.029 . 235 21 21 SER N N 123.985 0.051 . 236 22 22 GLN H H 8.866 0.003 . 237 22 22 GLN HA H 4.273 0.004 . 238 22 22 GLN HB2 H 2.263 0.003 . 239 22 22 GLN HB3 H 1.874 0.003 . 240 22 22 GLN HG2 H 2.413 0.005 . 241 22 22 GLN HG3 H 2.357 0.003 . 242 22 22 GLN HE21 H 7.455 0.002 . 243 22 22 GLN HE22 H 6.863 0.001 . 244 22 22 GLN C C 175.650 0.001 . 245 22 22 GLN CA C 55.726 0.045 . 246 22 22 GLN CB C 30.042 0.103 . 247 22 22 GLN CG C 34.180 0.045 . 248 22 22 GLN N N 118.390 0.051 . 249 22 22 GLN NE2 N 112.503 0.111 . 250 23 23 VAL H H 6.897 0.002 . 251 23 23 VAL HA H 4.314 0.006 . 252 23 23 VAL HB H 2.203 0.003 . 253 23 23 VAL HG1 H 1.002 0.006 . 254 23 23 VAL HG2 H 0.940 0.002 . 255 23 23 VAL C C 172.691 0.003 . 256 23 23 VAL CA C 59.786 0.037 . 257 23 23 VAL CB C 34.368 0.041 . 258 23 23 VAL CG1 C 21.611 0.076 . 259 23 23 VAL CG2 C 19.350 0.039 . 260 23 23 VAL N N 113.258 0.037 . 261 24 24 SER H H 8.125 0.002 . 262 24 24 SER HA H 4.894 0.005 . 263 24 24 SER HB2 H 3.443 0.003 . 264 24 24 SER HB3 H 3.308 0.002 . 265 24 24 SER C C 173.846 0.004 . 266 24 24 SER CA C 56.040 0.094 . 267 24 24 SER CB C 65.361 0.040 . 268 24 24 SER N N 115.205 0.028 . 269 25 25 ASN H H 9.854 0.003 . 270 25 25 ASN HA H 5.088 0.003 . 271 25 25 ASN HB2 H 3.220 0.006 . 272 25 25 ASN HB3 H 3.084 0.004 . 273 25 25 ASN HD21 H 8.053 0.002 . 274 25 25 ASN HD22 H 7.279 0.002 . 275 25 25 ASN C C 175.285 0.001 . 276 25 25 ASN CA C 53.030 0.040 . 277 25 25 ASN CB C 41.535 0.052 . 278 25 25 ASN N N 122.669 0.044 . 279 25 25 ASN ND2 N 113.984 0.045 . 280 26 26 THR H H 9.718 0.003 . 281 26 26 THR HA H 5.520 0.002 . 282 26 26 THR HB H 5.119 0.003 . 283 26 26 THR HG2 H 1.533 0.001 . 284 26 26 THR C C 174.350 0.002 . 285 26 26 THR CA C 61.930 0.036 . 286 26 26 THR CB C 70.719 0.104 . 287 26 26 THR CG2 C 22.491 0.026 . 288 26 26 THR N N 113.569 0.032 . 289 27 27 TRP H H 7.836 0.003 . 290 27 27 TRP HA H 2.617 0.004 . 291 27 27 TRP HB2 H 2.871 0.006 . 292 27 27 TRP HB3 H 1.292 0.004 . 293 27 27 TRP HD1 H 7.038 0.004 . 294 27 27 TRP HE1 H 10.523 0.011 . 295 27 27 TRP HE3 H 7.047 0.000 . 296 27 27 TRP HZ2 H 7.046 0.004 . 297 27 27 TRP HZ3 H 7.091 0.008 . 298 27 27 TRP HH2 H 7.042 0.006 . 299 27 27 TRP C C 177.624 0.000 . 300 27 27 TRP CA C 62.651 0.040 . 301 27 27 TRP CB C 30.428 0.058 . 302 27 27 TRP CD1 C 126.781 0.087 . 303 27 27 TRP CE3 C 120.327 0.002 . 304 27 27 TRP CZ2 C 112.901 0.039 . 305 27 27 TRP CZ3 C 120.277 0.170 . 306 27 27 TRP CH2 C 122.060 0.053 . 307 27 27 TRP N N 121.857 0.103 . 308 27 27 TRP NE1 N 127.250 0.026 . 309 28 28 GLU H H 8.827 0.002 . 310 28 28 GLU HA H 3.708 0.005 . 311 28 28 GLU HB2 H 2.095 0.003 . 312 28 28 GLU HB3 H 2.035 0.004 . 313 28 28 GLU HG2 H 2.493 0.004 . 314 28 28 GLU HG3 H 2.450 0.005 . 315 28 28 GLU C C 178.928 0.001 . 316 28 28 GLU CA C 59.589 0.048 . 317 28 28 GLU CB C 29.480 0.094 . 318 28 28 GLU CG C 37.250 0.009 . 319 28 28 GLU N N 114.949 0.027 . 320 29 29 GLU H H 7.259 0.002 . 321 29 29 GLU HA H 3.926 0.002 . 322 29 29 GLU HB2 H 1.829 0.006 . 323 29 29 GLU HB3 H 1.829 0.006 . 324 29 29 GLU HG2 H 2.321 0.003 . 325 29 29 GLU HG3 H 2.113 0.003 . 326 29 29 GLU C C 179.587 0.004 . 327 29 29 GLU CA C 58.569 0.049 . 328 29 29 GLU CB C 28.133 0.127 . 329 29 29 GLU CG C 36.478 0.026 . 330 29 29 GLU N N 118.462 0.034 . 331 30 30 GLY H H 7.871 0.002 . 332 30 30 GLY HA2 H 2.041 0.004 . 333 30 30 GLY HA3 H 1.288 0.009 . 334 30 30 GLY C C 173.516 0.001 . 335 30 30 GLY CA C 45.742 0.047 . 336 30 30 GLY N N 112.186 0.051 . 337 31 31 LEU H H 7.610 0.003 . 338 31 31 LEU HA H 3.345 0.005 . 339 31 31 LEU HB2 H 1.726 0.004 . 340 31 31 LEU HB3 H 0.552 0.004 . 341 31 31 LEU HG H 1.387 0.004 . 342 31 31 LEU HD1 H 0.812 0.003 . 343 31 31 LEU HD2 H 0.737 0.005 . 344 31 31 LEU C C 179.828 0.004 . 345 31 31 LEU CA C 58.955 0.037 . 346 31 31 LEU CB C 41.475 0.038 . 347 31 31 LEU CG C 26.609 0.081 . 348 31 31 LEU CD1 C 25.639 0.012 . 349 31 31 LEU CD2 C 25.332 0.059 . 350 31 31 LEU N N 122.216 0.019 . 351 32 32 VAL H H 7.571 0.003 . 352 32 32 VAL HA H 3.651 0.004 . 353 32 32 VAL HB H 2.024 0.002 . 354 32 32 VAL HG1 H 1.033 0.004 . 355 32 32 VAL HG2 H 0.974 0.002 . 356 32 32 VAL C C 179.041 0.001 . 357 32 32 VAL CA C 65.867 0.039 . 358 32 32 VAL CB C 31.976 0.039 . 359 32 32 VAL CG1 C 22.585 0.046 . 360 32 32 VAL CG2 C 21.298 0.037 . 361 32 32 VAL N N 118.301 0.037 . 362 33 33 ASP H H 7.924 0.001 . 363 33 33 ASP HA H 4.377 0.004 . 364 33 33 ASP HB2 H 2.865 0.004 . 365 33 33 ASP HB3 H 2.664 0.003 . 366 33 33 ASP C C 179.766 0.001 . 367 33 33 ASP CA C 58.137 0.043 . 368 33 33 ASP CB C 43.435 0.041 . 369 33 33 ASP N N 123.085 0.054 . 370 34 34 CYS H H 8.486 0.002 . 371 34 34 CYS HA H 4.504 0.003 . 372 34 34 CYS HB2 H 2.742 0.002 . 373 34 34 CYS HB3 H 2.595 0.003 . 374 34 34 CYS C C 177.697 0.002 . 375 34 34 CYS CA C 56.070 0.045 . 376 34 34 CYS CB C 34.421 0.026 . 377 34 34 CYS N N 115.181 0.034 . 378 35 35 ASP H H 8.458 0.002 . 379 35 35 ASP HA H 4.754 0.002 . 380 35 35 ASP HB2 H 2.814 0.004 . 381 35 35 ASP HB3 H 2.772 0.002 . 382 35 35 ASP C C 180.457 0.004 . 383 35 35 ASP CA C 58.270 0.023 . 384 35 35 ASP CB C 42.143 0.036 . 385 35 35 ASP N N 123.300 0.043 . 386 36 36 GLY H H 8.281 0.003 . 387 36 36 GLY HA2 H 4.152 0.011 . 388 36 36 GLY HA3 H 4.098 0.005 . 389 36 36 GLY C C 175.345 0.000 . 390 36 36 GLY CA C 46.876 0.018 . 391 36 36 GLY N N 107.140 0.038 . 392 37 37 LYS H H 7.587 0.003 . 393 37 37 LYS HA H 4.546 0.006 . 394 37 37 LYS HB2 H 2.372 0.005 . 395 37 37 LYS HB3 H 2.014 0.004 . 396 37 37 LYS HG2 H 1.759 0.006 . 397 37 37 LYS HG3 H 1.592 0.005 . 398 37 37 LYS HD2 H 1.692 0.007 . 399 37 37 LYS HD3 H 1.477 0.006 . 400 37 37 LYS HE2 H 2.821 0.003 . 401 37 37 LYS HE3 H 2.821 0.003 . 402 37 37 LYS C C 176.415 0.002 . 403 37 37 LYS CA C 55.830 0.036 . 404 37 37 LYS CB C 33.754 0.071 . 405 37 37 LYS CG C 25.664 0.054 . 406 37 37 LYS CD C 29.746 0.087 . 407 37 37 LYS CE C 42.308 0.075 . 408 37 37 LYS N N 119.450 0.050 . 409 38 38 GLY H H 8.205 0.003 . 410 38 38 GLY HA2 H 4.041 0.005 . 411 38 38 GLY HA3 H 3.924 0.006 . 412 38 38 GLY C C 174.144 0.004 . 413 38 38 GLY CA C 46.791 0.018 . 414 38 38 GLY N N 109.781 0.032 . 415 39 39 ALA H H 8.107 0.003 . 416 39 39 ALA HA H 5.116 0.004 . 417 39 39 ALA HB H 1.664 0.003 . 418 39 39 ALA C C 174.817 0.003 . 419 39 39 ALA CA C 50.174 0.075 . 420 39 39 ALA CB C 24.153 0.071 . 421 39 39 ALA N N 123.317 0.024 . 422 40 40 THR H H 8.566 0.003 . 423 40 40 THR HA H 5.080 0.004 . 424 40 40 THR HB H 4.344 0.003 . 425 40 40 THR HG2 H 1.295 0.004 . 426 40 40 THR C C 175.723 0.000 . 427 40 40 THR CA C 60.173 0.088 . 428 40 40 THR CB C 72.452 0.035 . 429 40 40 THR CG2 C 19.570 0.048 . 430 40 40 THR N N 108.747 0.035 . 431 41 41 LEU H H 7.791 0.003 . 432 41 41 LEU HA H 5.054 0.005 . 433 41 41 LEU HB2 H 1.568 0.002 . 434 41 41 LEU HB3 H 1.338 0.003 . 435 41 41 LEU HG H 1.182 0.002 . 436 41 41 LEU HD1 H 0.720 0.003 . 437 41 41 LEU HD2 H -0.053 0.006 . 438 41 41 LEU C C 177.800 0.003 . 439 41 41 LEU CA C 56.676 0.041 . 440 41 41 LEU CB C 44.624 0.095 . 441 41 41 LEU CG C 27.899 0.064 . 442 41 41 LEU CD1 C 24.451 0.069 . 443 41 41 LEU CD2 C 25.686 0.053 . 444 41 41 LEU N N 123.750 0.040 . 445 42 42 MET H H 7.983 0.003 . 446 42 42 MET HA H 4.098 0.004 . 447 42 42 MET HB2 H 2.081 0.005 . 448 42 42 MET HB3 H 1.998 0.005 . 449 42 42 MET HG2 H 2.647 0.005 . 450 42 42 MET HG3 H 2.480 0.004 . 451 42 42 MET HE H 1.816 0.006 . 452 42 42 MET C C 174.097 0.001 . 453 42 42 MET CA C 57.887 0.072 . 454 42 42 MET CB C 34.299 0.055 . 455 42 42 MET CG C 32.346 0.087 . 456 42 42 MET CE C 19.358 0.003 . 457 42 42 MET N N 116.452 0.080 . 458 43 43 LEU H H 8.078 0.002 . 459 43 43 LEU HA H 4.517 0.006 . 460 43 43 LEU HB2 H 1.555 0.002 . 461 43 43 LEU HB3 H 0.897 0.006 . 462 43 43 LEU HG H 1.771 0.006 . 463 43 43 LEU HD1 H 0.957 0.004 . 464 43 43 LEU HD2 H 0.900 0.003 . 465 43 43 LEU C C 174.928 0.000 . 466 43 43 LEU CA C 53.533 0.056 . 467 43 43 LEU CB C 42.828 0.055 . 468 43 43 LEU CG C 27.259 0.039 . 469 43 43 LEU CD1 C 25.869 0.049 . 470 43 43 LEU CD2 C 25.869 0.049 . 471 43 43 LEU N N 128.106 0.050 . 472 44 44 ILE H H 5.273 0.004 . 473 44 44 ILE HA H 4.202 0.003 . 474 44 44 ILE HB H 1.906 0.003 . 475 44 44 ILE HG12 H 1.735 0.004 . 476 44 44 ILE HG13 H 0.980 0.004 . 477 44 44 ILE HG2 H 0.882 0.002 . 478 44 44 ILE HD1 H 1.006 0.003 . 479 44 44 ILE C C 175.736 0.001 . 480 44 44 ILE CA C 61.051 0.027 . 481 44 44 ILE CB C 38.168 0.056 . 482 44 44 ILE CG1 C 28.040 0.036 . 483 44 44 ILE CG2 C 18.786 0.020 . 484 44 44 ILE CD1 C 14.691 0.055 . 485 44 44 ILE N N 118.686 0.099 . 486 45 45 GLN H H 9.722 0.004 . 487 45 45 GLN HA H 4.179 0.004 . 488 45 45 GLN HB2 H 2.062 0.004 . 489 45 45 GLN HB3 H 1.975 0.004 . 490 45 45 GLN HG2 H 2.261 0.005 . 491 45 45 GLN HG3 H 2.216 0.003 . 492 45 45 GLN HE21 H 7.646 0.005 . 493 45 45 GLN HE22 H 6.953 0.001 . 494 45 45 GLN C C 175.402 0.001 . 495 45 45 GLN CA C 57.103 0.036 . 496 45 45 GLN CB C 30.833 0.096 . 497 45 45 GLN CG C 34.344 0.051 . 498 45 45 GLN N N 127.754 0.062 . 499 45 45 GLN NE2 N 112.353 0.036 . 500 46 46 ASP H H 7.545 0.002 . 501 46 46 ASP HA H 4.644 0.004 . 502 46 46 ASP HB2 H 3.051 0.006 . 503 46 46 ASP HB3 H 3.051 0.006 . 504 46 46 ASP C C 175.286 0.003 . 505 46 46 ASP CA C 53.256 0.026 . 506 46 46 ASP CB C 42.752 0.015 . 507 46 46 ASP N N 114.490 0.027 . 508 47 47 GLN H H 8.954 0.003 . 509 47 47 GLN HA H 4.003 0.003 . 510 47 47 GLN HB2 H 2.210 0.004 . 511 47 47 GLN HB3 H 2.210 0.004 . 512 47 47 GLN HG2 H 2.565 0.003 . 513 47 47 GLN HG3 H 2.565 0.003 . 514 47 47 GLN HE21 H 7.601 0.002 . 515 47 47 GLN HE22 H 6.837 0.002 . 516 47 47 GLN C C 177.858 0.002 . 517 47 47 GLN CA C 58.995 0.065 . 518 47 47 GLN CB C 28.468 0.100 . 519 47 47 GLN CG C 34.321 0.040 . 520 47 47 GLN N N 118.745 0.033 . 521 47 47 GLN NE2 N 111.442 0.049 . 522 48 48 GLU H H 8.532 0.002 . 523 48 48 GLU HA H 4.082 0.004 . 524 48 48 GLU HB2 H 2.165 0.003 . 525 48 48 GLU HB3 H 2.165 0.003 . 526 48 48 GLU HG2 H 2.463 0.003 . 527 48 48 GLU HG3 H 2.396 0.005 . 528 48 48 GLU C C 179.073 0.002 . 529 48 48 GLU CA C 59.950 0.044 . 530 48 48 GLU CB C 28.747 0.095 . 531 48 48 GLU CG C 36.724 0.021 . 532 48 48 GLU N N 121.721 0.039 . 533 49 49 GLU H H 8.336 0.003 . 534 49 49 GLU HA H 3.776 0.005 . 535 49 49 GLU HB2 H 2.290 0.004 . 536 49 49 GLU HB3 H 2.180 0.005 . 537 49 49 GLU HG2 H 2.401 0.002 . 538 49 49 GLU HG3 H 2.279 0.004 . 539 49 49 GLU C C 177.707 0.002 . 540 49 49 GLU CA C 59.829 0.058 . 541 49 49 GLU CB C 30.627 0.096 . 542 49 49 GLU CG C 37.578 0.084 . 543 49 49 GLU N N 120.709 0.025 . 544 50 50 LEU H H 7.175 0.003 . 545 50 50 LEU HA H 3.937 0.008 . 546 50 50 LEU HB2 H 2.066 0.003 . 547 50 50 LEU HB3 H 1.433 0.005 . 548 50 50 LEU HG H 1.553 0.005 . 549 50 50 LEU HD1 H 0.953 0.003 . 550 50 50 LEU HD2 H 0.856 0.003 . 551 50 50 LEU C C 177.342 0.001 . 552 50 50 LEU CA C 58.275 0.037 . 553 50 50 LEU CB C 41.705 0.042 . 554 50 50 LEU CG C 27.122 0.027 . 555 50 50 LEU CD1 C 25.788 0.029 . 556 50 50 LEU CD2 C 23.356 0.035 . 557 50 50 LEU N N 118.070 0.025 . 558 51 51 ARG H H 8.135 0.002 . 559 51 51 ARG HA H 3.807 0.004 . 560 51 51 ARG HB2 H 1.979 0.005 . 561 51 51 ARG HB3 H 1.979 0.005 . 562 51 51 ARG HG2 H 1.775 0.004 . 563 51 51 ARG HG3 H 1.730 0.004 . 564 51 51 ARG HD2 H 3.290 0.005 . 565 51 51 ARG HD3 H 3.231 0.007 . 566 51 51 ARG HE H 7.450 0.005 . 567 51 51 ARG C C 177.876 0.002 . 568 51 51 ARG CA C 59.373 0.034 . 569 51 51 ARG CB C 29.928 0.057 . 570 51 51 ARG CG C 26.787 0.066 . 571 51 51 ARG CD C 43.360 0.014 . 572 51 51 ARG N N 117.898 0.033 . 573 51 51 ARG NE N 84.850 0.061 . 574 52 52 PHE H H 8.003 0.003 . 575 52 52 PHE HA H 4.128 0.004 . 576 52 52 PHE HB2 H 2.858 0.003 . 577 52 52 PHE HB3 H 2.685 0.006 . 578 52 52 PHE HD1 H 6.929 0.003 . 579 52 52 PHE HD2 H 6.929 0.003 . 580 52 52 PHE HE1 H 7.221 0.003 . 581 52 52 PHE HE2 H 7.221 0.003 . 582 52 52 PHE HZ H 7.327 0.006 . 583 52 52 PHE C C 178.379 0.004 . 584 52 52 PHE CA C 61.280 0.047 . 585 52 52 PHE CB C 38.514 0.066 . 586 52 52 PHE CD1 C 131.429 0.087 . 587 52 52 PHE CD2 C 131.429 0.087 . 588 52 52 PHE CE1 C 131.258 0.167 . 589 52 52 PHE CE2 C 131.258 0.167 . 590 52 52 PHE CZ C 130.350 0.179 . 591 52 52 PHE N N 118.865 0.056 . 592 53 53 LEU H H 7.824 0.002 . 593 53 53 LEU HA H 3.404 0.003 . 594 53 53 LEU HB2 H 1.614 0.004 . 595 53 53 LEU HB3 H 1.272 0.002 . 596 53 53 LEU HG H 1.437 0.004 . 597 53 53 LEU HD1 H 0.443 0.009 . 598 53 53 LEU HD2 H 0.297 0.008 . 599 53 53 LEU C C 178.870 0.002 . 600 53 53 LEU CA C 57.296 0.057 . 601 53 53 LEU CB C 41.331 0.024 . 602 53 53 LEU CG C 26.960 0.017 . 603 53 53 LEU CD1 C 24.225 0.067 . 604 53 53 LEU CD2 C 22.982 0.073 . 605 53 53 LEU N N 122.451 0.041 . 606 54 54 LEU H H 8.361 0.002 . 607 54 54 LEU HA H 3.787 0.003 . 608 54 54 LEU HB2 H 1.795 0.004 . 609 54 54 LEU HB3 H 1.382 0.003 . 610 54 54 LEU HG H 1.787 0.002 . 611 54 54 LEU HD1 H 0.748 0.001 . 612 54 54 LEU HD2 H 0.725 0.002 . 613 54 54 LEU C C 179.783 0.003 . 614 54 54 LEU CA C 57.933 0.074 . 615 54 54 LEU CB C 40.931 0.030 . 616 54 54 LEU CG C 26.379 0.033 . 617 54 54 LEU CD1 C 25.460 0.003 . 618 54 54 LEU CD2 C 22.649 0.023 . 619 54 54 LEU N N 117.828 0.033 . 620 55 55 ASP H H 7.933 0.001 . 621 55 55 ASP HA H 4.377 0.004 . 622 55 55 ASP HB2 H 2.627 0.005 . 623 55 55 ASP HB3 H 2.519 0.004 . 624 55 55 ASP C C 177.824 0.002 . 625 55 55 ASP CA C 56.232 0.037 . 626 55 55 ASP CB C 40.833 0.038 . 627 55 55 ASP N N 116.846 0.054 . 628 56 56 SER H H 7.441 0.004 . 629 56 56 SER HA H 4.122 0.003 . 630 56 56 SER HB2 H 3.500 0.008 . 631 56 56 SER HB3 H 3.500 0.008 . 632 56 56 SER C C 174.277 0.003 . 633 56 56 SER CA C 60.677 0.033 . 634 56 56 SER CB C 63.675 0.076 . 635 56 56 SER N N 114.399 0.029 . 636 57 57 ILE H H 7.378 0.003 . 637 57 57 ILE HA H 3.797 0.005 . 638 57 57 ILE HB H 1.580 0.003 . 639 57 57 ILE HG12 H 1.282 0.005 . 640 57 57 ILE HG13 H 0.625 0.004 . 641 57 57 ILE HG2 H 0.534 0.007 . 642 57 57 ILE HD1 H 0.128 0.003 . 643 57 57 ILE C C 175.873 0.002 . 644 57 57 ILE CA C 61.811 0.046 . 645 57 57 ILE CB C 38.566 0.037 . 646 57 57 ILE CG1 C 27.031 0.036 . 647 57 57 ILE CG2 C 18.036 0.037 . 648 57 57 ILE CD1 C 13.218 0.059 . 649 57 57 ILE N N 121.159 0.034 . 650 58 58 LYS H H 8.218 0.003 . 651 58 58 LYS HA H 4.164 0.005 . 652 58 58 LYS HB2 H 1.853 0.004 . 653 58 58 LYS HB3 H 1.853 0.004 . 654 58 58 LYS HG2 H 1.448 0.007 . 655 58 58 LYS HG3 H 1.407 0.006 . 656 58 58 LYS HD2 H 1.655 0.011 . 657 58 58 LYS HD3 H 1.655 0.011 . 658 58 58 LYS HE2 H 3.014 0.005 . 659 58 58 LYS HE3 H 3.014 0.005 . 660 58 58 LYS C C 177.266 0.001 . 661 58 58 LYS CA C 57.324 0.042 . 662 58 58 LYS CB C 32.290 0.031 . 663 58 58 LYS CG C 24.835 0.094 . 664 58 58 LYS CD C 28.864 0.130 . 665 58 58 LYS CE C 42.329 0.039 . 666 58 58 LYS N N 124.292 0.043 . 667 59 59 GLU H H 7.761 0.003 . 668 59 59 GLU HA H 4.351 0.003 . 669 59 59 GLU HB2 H 2.018 0.005 . 670 59 59 GLU HB3 H 1.805 0.003 . 671 59 59 GLU HG2 H 2.326 0.003 . 672 59 59 GLU HG3 H 2.177 0.004 . 673 59 59 GLU C C 176.023 0.003 . 674 59 59 GLU CA C 55.914 0.050 . 675 59 59 GLU CB C 28.831 0.092 . 676 59 59 GLU CG C 36.391 0.061 . 677 59 59 GLU N N 119.807 0.022 . 678 60 60 LYS H H 8.051 0.003 . 679 60 60 LYS HA H 4.157 0.004 . 680 60 60 LYS HB2 H 1.710 0.008 . 681 60 60 LYS HB3 H 1.590 0.004 . 682 60 60 LYS HG2 H 1.295 0.007 . 683 60 60 LYS HG3 H 1.295 0.007 . 684 60 60 LYS HD2 H 1.572 0.002 . 685 60 60 LYS HD3 H 1.572 0.002 . 686 60 60 LYS HE2 H 2.965 0.006 . 687 60 60 LYS HE3 H 2.965 0.006 . 688 60 60 LYS C C 176.229 0.005 . 689 60 60 LYS CA C 57.008 0.055 . 690 60 60 LYS CB C 32.431 0.083 . 691 60 60 LYS CG C 24.821 0.048 . 692 60 60 LYS CD C 28.865 0.085 . 693 60 60 LYS CE C 42.390 0.061 . 694 60 60 LYS N N 120.606 0.054 . 695 61 61 TYR H H 7.756 0.002 . 696 61 61 TYR HA H 4.594 0.003 . 697 61 61 TYR HB2 H 3.107 0.007 . 698 61 61 TYR HB3 H 2.997 0.005 . 699 61 61 TYR HD1 H 7.101 0.006 . 700 61 61 TYR HD2 H 7.101 0.006 . 701 61 61 TYR HE1 H 6.853 0.005 . 702 61 61 TYR HE2 H 6.853 0.005 . 703 61 61 TYR C C 175.714 0.003 . 704 61 61 TYR CA C 57.110 0.033 . 705 61 61 TYR CB C 37.499 0.033 . 706 61 61 TYR CD1 C 133.351 0.032 . 707 61 61 TYR CD2 C 133.351 0.032 . 708 61 61 TYR CE1 C 118.358 0.033 . 709 61 61 TYR CE2 C 118.358 0.033 . 710 61 61 TYR N N 115.876 0.046 . 711 62 62 ASN H H 7.477 0.002 . 712 62 62 ASN HA H 4.730 0.003 . 713 62 62 ASN HB2 H 2.264 0.005 . 714 62 62 ASN HB3 H 2.264 0.005 . 715 62 62 ASN HD21 H 7.267 0.002 . 716 62 62 ASN HD22 H 6.830 0.002 . 717 62 62 ASN C C 173.016 0.001 . 718 62 62 ASN CA C 52.654 0.029 . 719 62 62 ASN CB C 41.378 0.044 . 720 62 62 ASN N N 118.634 0.041 . 721 62 62 ASN ND2 N 111.205 0.071 . 722 63 63 SER H H 8.107 0.004 . 723 63 63 SER HA H 5.256 0.003 . 724 63 63 SER HB2 H 3.254 0.007 . 725 63 63 SER HB3 H 3.219 0.005 . 726 63 63 SER C C 172.817 0.003 . 727 63 63 SER CA C 57.506 0.028 . 728 63 63 SER CB C 63.821 0.031 . 729 63 63 SER N N 115.211 0.022 . 730 64 64 PHE H H 8.735 0.002 . 731 64 64 PHE HA H 4.588 0.005 . 732 64 64 PHE HB2 H 2.822 0.004 . 733 64 64 PHE HB3 H 2.615 0.006 . 734 64 64 PHE HD1 H 7.015 0.005 . 735 64 64 PHE HD2 H 7.015 0.005 . 736 64 64 PHE HE1 H 6.861 0.007 . 737 64 64 PHE HE2 H 6.861 0.007 . 738 64 64 PHE HZ H 7.040 0.006 . 739 64 64 PHE C C 175.495 0.004 . 740 64 64 PHE CA C 55.442 0.020 . 741 64 64 PHE CB C 42.226 0.075 . 742 64 64 PHE CD1 C 131.890 0.103 . 743 64 64 PHE CD2 C 131.890 0.103 . 744 64 64 PHE CE1 C 131.819 0.079 . 745 64 64 PHE CE2 C 131.819 0.079 . 746 64 64 PHE CZ C 128.979 0.080 . 747 64 64 PHE N N 118.959 0.062 . 748 65 65 TRP H H 10.282 0.004 . 749 65 65 TRP HA H 5.743 0.005 . 750 65 65 TRP HB2 H 3.763 0.006 . 751 65 65 TRP HB3 H 3.643 0.002 . 752 65 65 TRP HD1 H 7.404 0.005 . 753 65 65 TRP HE1 H 10.962 0.006 . 754 65 65 TRP HE3 H 8.622 0.004 . 755 65 65 TRP HZ2 H 8.235 0.003 . 756 65 65 TRP HZ3 H 7.114 0.005 . 757 65 65 TRP HH2 H 7.889 0.003 . 758 65 65 TRP C C 175.951 0.001 . 759 65 65 TRP CA C 58.078 0.034 . 760 65 65 TRP CB C 32.676 0.079 . 761 65 65 TRP CD1 C 129.414 0.145 . 762 65 65 TRP CE3 C 122.749 0.178 . 763 65 65 TRP CZ2 C 116.947 0.033 . 764 65 65 TRP CZ3 C 122.866 0.157 . 765 65 65 TRP CH2 C 126.137 0.066 . 766 65 65 TRP N N 124.651 0.032 . 767 65 65 TRP NE1 N 131.487 0.063 . 768 66 66 ILE H H 8.443 0.003 . 769 66 66 ILE HA H 5.274 0.005 . 770 66 66 ILE HB H 2.524 0.004 . 771 66 66 ILE HG12 H 1.648 0.004 . 772 66 66 ILE HG13 H 1.283 0.005 . 773 66 66 ILE HG2 H 1.269 0.004 . 774 66 66 ILE HD1 H 1.042 0.008 . 775 66 66 ILE C C 177.380 0.002 . 776 66 66 ILE CA C 59.598 0.055 . 777 66 66 ILE CB C 41.764 0.086 . 778 66 66 ILE CG1 C 25.875 0.038 . 779 66 66 ILE CG2 C 18.717 0.040 . 780 66 66 ILE CD1 C 14.769 0.064 . 781 66 66 ILE N N 109.430 0.034 . 782 67 67 GLY H H 10.395 0.008 . 783 67 67 GLY HA2 H 4.625 0.008 . 784 67 67 GLY HA3 H 3.689 0.006 . 785 67 67 GLY C C 172.897 0.001 . 786 67 67 GLY CA C 49.995 0.028 . 787 67 67 GLY N N 111.319 0.051 . 788 68 68 LEU H H 8.446 0.004 . 789 68 68 LEU HA H 4.884 0.005 . 790 68 68 LEU HB2 H 1.440 0.005 . 791 68 68 LEU HB3 H 0.784 0.006 . 792 68 68 LEU HG H 1.309 0.004 . 793 68 68 LEU HD1 H 0.051 0.007 . 794 68 68 LEU HD2 H -0.189 0.005 . 795 68 68 LEU C C 173.367 0.007 . 796 68 68 LEU CA C 54.637 0.042 . 797 68 68 LEU CB C 46.081 0.039 . 798 68 68 LEU CG C 26.317 0.028 . 799 68 68 LEU CD1 C 25.664 0.052 . 800 68 68 LEU CD2 C 21.998 0.020 . 801 68 68 LEU N N 127.499 0.037 . 802 69 69 ARG H H 8.479 0.002 . 803 69 69 ARG HA H 4.910 0.005 . 804 69 69 ARG HB2 H 1.403 0.005 . 805 69 69 ARG HB3 H 1.338 0.005 . 806 69 69 ARG HG2 H 1.227 0.005 . 807 69 69 ARG HG3 H 1.227 0.005 . 808 69 69 ARG HD2 H 2.390 0.004 . 809 69 69 ARG HD3 H 1.931 0.007 . 810 69 69 ARG HE H 6.747 0.002 . 811 69 69 ARG C C 173.026 0.002 . 812 69 69 ARG CA C 55.478 0.032 . 813 69 69 ARG CB C 34.344 0.026 . 814 69 69 ARG CG C 25.978 0.066 . 815 69 69 ARG CD C 43.527 0.073 . 816 69 69 ARG N N 124.432 0.056 . 817 69 69 ARG NE N 85.537 0.052 . 818 70 70 TYR H H 7.936 0.002 . 819 70 70 TYR HA H 3.876 0.005 . 820 70 70 TYR HB2 H 1.979 0.006 . 821 70 70 TYR HB3 H 0.467 0.008 . 822 70 70 TYR HD1 H 5.700 0.004 . 823 70 70 TYR HD2 H 5.700 0.004 . 824 70 70 TYR HE1 H 6.165 0.005 . 825 70 70 TYR HE2 H 6.165 0.005 . 826 70 70 TYR C C 175.118 0.002 . 827 70 70 TYR CA C 57.747 0.059 . 828 70 70 TYR CB C 38.231 0.071 . 829 70 70 TYR CD1 C 132.752 0.057 . 830 70 70 TYR CD2 C 132.752 0.057 . 831 70 70 TYR CE1 C 116.986 0.072 . 832 70 70 TYR CE2 C 116.986 0.072 . 833 70 70 TYR N N 128.687 0.042 . 834 71 71 THR H H 7.701 0.002 . 835 71 71 THR HA H 4.477 0.002 . 836 71 71 THR HB H 3.896 0.005 . 837 71 71 THR HG2 H 1.036 0.003 . 838 71 71 THR C C 172.547 0.006 . 839 71 71 THR CA C 60.631 0.043 . 840 71 71 THR CB C 71.324 0.041 . 841 71 71 THR CG2 C 21.288 0.078 . 842 71 71 THR N N 120.097 0.016 . 843 72 72 LEU H H 8.487 0.002 . 844 72 72 LEU HA H 4.266 0.007 . 845 72 72 LEU HB2 H 1.598 0.003 . 846 72 72 LEU HB3 H 1.458 0.004 . 847 72 72 LEU HG H 1.609 0.004 . 848 72 72 LEU HD1 H 0.905 0.002 . 849 72 72 LEU HD2 H 0.855 0.003 . 850 72 72 LEU C C 175.916 0.000 . 851 72 72 LEU CA C 52.874 0.065 . 852 72 72 LEU CB C 41.820 0.020 . 853 72 72 LEU CG C 27.802 0.055 . 854 72 72 LEU CD1 C 24.973 0.049 . 855 72 72 LEU CD2 C 24.188 0.029 . 856 72 72 LEU N N 125.241 0.071 . 857 73 73 PRO HA H 4.409 0.001 . 858 73 73 PRO HB2 H 2.268 0.005 . 859 73 73 PRO HB3 H 2.268 0.005 . 860 73 73 PRO HG2 H 1.957 0.003 . 861 73 73 PRO HG3 H 1.699 0.004 . 862 73 73 PRO HD2 H 3.534 0.006 . 863 73 73 PRO HD3 H 3.463 0.003 . 864 73 73 PRO C C 176.278 0.003 . 865 73 73 PRO CA C 63.549 0.043 . 866 73 73 PRO CB C 34.136 0.020 . 867 73 73 PRO CG C 24.167 0.066 . 868 73 73 PRO CD C 50.136 0.032 . 869 74 74 ASP H H 8.716 0.002 . 870 74 74 ASP HA H 4.157 0.003 . 871 74 74 ASP HB2 H 2.512 0.006 . 872 74 74 ASP HB3 H 2.401 0.007 . 873 74 74 ASP C C 175.592 0.002 . 874 74 74 ASP CA C 56.528 0.043 . 875 74 74 ASP CB C 39.688 0.033 . 876 74 74 ASP N N 123.018 0.030 . 877 75 75 MET H H 8.421 0.002 . 878 75 75 MET HA H 3.319 0.002 . 879 75 75 MET HB2 H 2.265 0.002 . 880 75 75 MET HB3 H 2.172 0.004 . 881 75 75 MET HG2 H 2.463 0.003 . 882 75 75 MET HG3 H 2.302 0.006 . 883 75 75 MET HE H 2.113 0.000 . 884 75 75 MET C C 174.354 0.005 . 885 75 75 MET CA C 56.042 0.062 . 886 75 75 MET CB C 29.181 0.100 . 887 75 75 MET CG C 32.333 0.070 . 888 75 75 MET CE C 16.868 0.006 . 889 75 75 MET N N 113.361 0.031 . 890 76 76 ASN H H 6.883 0.004 . 891 76 76 ASN HA H 4.808 0.003 . 892 76 76 ASN HB2 H 2.648 0.005 . 893 76 76 ASN HB3 H 2.598 0.006 . 894 76 76 ASN HD21 H 7.470 0.001 . 895 76 76 ASN HD22 H 6.864 0.002 . 896 76 76 ASN C C 173.984 0.003 . 897 76 76 ASN CA C 51.283 0.029 . 898 76 76 ASN CB C 41.823 0.030 . 899 76 76 ASN N N 112.997 0.042 . 900 76 76 ASN ND2 N 111.920 0.042 . 901 77 77 TRP H H 8.766 0.005 . 902 77 77 TRP HA H 4.534 0.007 . 903 77 77 TRP HB2 H 3.091 0.006 . 904 77 77 TRP HB3 H 2.800 0.008 . 905 77 77 TRP HD1 H 7.294 0.003 . 906 77 77 TRP HE1 H 9.921 0.005 . 907 77 77 TRP HE3 H 7.001 0.005 . 908 77 77 TRP HZ2 H 6.464 0.005 . 909 77 77 TRP HZ3 H 6.662 0.004 . 910 77 77 TRP HH2 H 6.582 0.004 . 911 77 77 TRP C C 175.329 0.001 . 912 77 77 TRP CA C 57.615 0.029 . 913 77 77 TRP CB C 30.117 0.071 . 914 77 77 TRP CD1 C 126.794 0.065 . 915 77 77 TRP CE3 C 119.336 0.187 . 916 77 77 TRP CZ2 C 114.452 0.154 . 917 77 77 TRP CZ3 C 121.150 0.127 . 918 77 77 TRP CH2 C 124.037 0.158 . 919 77 77 TRP N N 122.857 0.043 . 920 77 77 TRP NE1 N 129.954 0.019 . 921 78 78 LYS H H 8.584 0.004 . 922 78 78 LYS HA H 4.969 0.005 . 923 78 78 LYS HB2 H 1.800 0.004 . 924 78 78 LYS HB3 H 1.633 0.004 . 925 78 78 LYS HG2 H 1.350 0.004 . 926 78 78 LYS HG3 H 1.312 0.006 . 927 78 78 LYS HD2 H 1.608 0.006 . 928 78 78 LYS HD3 H 1.608 0.006 . 929 78 78 LYS HE2 H 2.921 0.011 . 930 78 78 LYS HE3 H 2.921 0.011 . 931 78 78 LYS C C 177.225 0.001 . 932 78 78 LYS CA C 55.149 0.042 . 933 78 78 LYS CB C 36.697 0.043 . 934 78 78 LYS CG C 24.954 0.064 . 935 78 78 LYS CD C 29.507 0.065 . 936 78 78 LYS CE C 42.168 0.123 . 937 78 78 LYS N N 121.731 0.043 . 938 79 79 TRP H H 9.045 0.004 . 939 79 79 TRP HA H 5.677 0.005 . 940 79 79 TRP HB2 H 3.619 0.008 . 941 79 79 TRP HB3 H 3.521 0.009 . 942 79 79 TRP HD1 H 7.233 0.004 . 943 79 79 TRP HE1 H 10.616 0.008 . 944 79 79 TRP HE3 H 7.355 0.003 . 945 79 79 TRP HZ2 H 7.478 0.003 . 946 79 79 TRP HZ3 H 6.986 0.003 . 947 79 79 TRP HH2 H 8.263 0.002 . 948 79 79 TRP C C 180.969 0.003 . 949 79 79 TRP CA C 56.692 0.071 . 950 79 79 TRP CB C 31.944 0.053 . 951 79 79 TRP CD1 C 129.491 0.070 . 952 79 79 TRP CE3 C 120.805 0.060 . 953 79 79 TRP CZ2 C 115.797 0.027 . 954 79 79 TRP CZ3 C 122.926 0.046 . 955 79 79 TRP CH2 C 123.774 0.076 . 956 79 79 TRP N N 124.809 0.054 . 957 79 79 TRP NE1 N 130.422 0.029 . 958 80 80 ILE H H 8.493 0.004 . 959 80 80 ILE HA H 4.355 0.003 . 960 80 80 ILE HB H 2.407 0.002 . 961 80 80 ILE HG12 H 1.763 0.004 . 962 80 80 ILE HG13 H 1.661 0.004 . 963 80 80 ILE HG2 H 1.343 0.003 . 964 80 80 ILE HD1 H 1.162 0.005 . 965 80 80 ILE C C 175.690 0.006 . 966 80 80 ILE CA C 63.782 0.044 . 967 80 80 ILE CB C 38.284 0.037 . 968 80 80 ILE CG1 C 27.409 0.032 . 969 80 80 ILE CG2 C 19.480 0.029 . 970 80 80 ILE CD1 C 15.226 0.060 . 971 80 80 ILE N N 114.947 0.095 . 972 81 81 ASN H H 7.370 0.003 . 973 81 81 ASN HA H 4.892 0.003 . 974 81 81 ASN HB2 H 3.439 0.003 . 975 81 81 ASN HB3 H 2.818 0.004 . 976 81 81 ASN HD21 H 7.830 0.001 . 977 81 81 ASN HD22 H 7.042 0.003 . 978 81 81 ASN C C 176.344 0.003 . 979 81 81 ASN CA C 52.787 0.028 . 980 81 81 ASN CB C 37.778 0.037 . 981 81 81 ASN N N 116.185 0.034 . 982 81 81 ASN ND2 N 112.208 0.040 . 983 82 82 GLY H H 8.621 0.002 . 984 82 82 GLY HA2 H 4.506 0.006 . 985 82 82 GLY HA3 H 3.801 0.005 . 986 82 82 GLY C C 174.321 0.004 . 987 82 82 GLY CA C 45.306 0.041 . 988 82 82 GLY N N 108.864 0.036 . 989 83 83 SER H H 7.894 0.002 . 990 83 83 SER HA H 4.688 0.004 . 991 83 83 SER HB2 H 4.194 0.006 . 992 83 83 SER HB3 H 4.151 0.004 . 993 83 83 SER C C 174.042 0.007 . 994 83 83 SER CA C 58.822 0.050 . 995 83 83 SER CB C 64.512 0.085 . 996 83 83 SER N N 116.447 0.073 . 997 84 84 THR H H 8.710 0.002 . 998 84 84 THR HA H 4.628 0.007 . 999 84 84 THR HB H 4.322 0.008 . 1000 84 84 THR HG2 H 1.410 0.004 . 1001 84 84 THR C C 174.906 0.004 . 1002 84 84 THR CA C 62.727 0.051 . 1003 84 84 THR CB C 70.047 0.114 . 1004 84 84 THR CG2 C 22.394 0.061 . 1005 84 84 THR N N 117.358 0.045 . 1006 85 85 LEU H H 8.244 0.003 . 1007 85 85 LEU HA H 4.419 0.003 . 1008 85 85 LEU HB2 H 1.915 0.004 . 1009 85 85 LEU HB3 H 1.139 0.008 . 1010 85 85 LEU HG H 1.512 0.006 . 1011 85 85 LEU HD1 H 0.945 0.003 . 1012 85 85 LEU HD2 H 0.688 0.003 . 1013 85 85 LEU C C 175.973 0.000 . 1014 85 85 LEU CA C 56.168 0.060 . 1015 85 85 LEU CB C 43.460 0.045 . 1016 85 85 LEU CG C 27.123 0.084 . 1017 85 85 LEU CD1 C 23.828 0.050 . 1018 85 85 LEU CD2 C 26.206 0.065 . 1019 85 85 LEU N N 125.457 0.102 . 1020 86 86 ASN H H 9.042 0.003 . 1021 86 86 ASN HA H 5.062 0.004 . 1022 86 86 ASN HB2 H 3.195 0.002 . 1023 86 86 ASN HB3 H 3.022 0.003 . 1024 86 86 ASN HD21 H 7.744 0.001 . 1025 86 86 ASN HD22 H 7.196 0.001 . 1026 86 86 ASN C C 176.112 0.000 . 1027 86 86 ASN CA C 52.243 0.035 . 1028 86 86 ASN CB C 38.631 0.062 . 1029 86 86 ASN N N 126.729 0.058 . 1030 86 86 ASN ND2 N 111.772 0.065 . 1031 87 87 SER H H 8.724 0.002 . 1032 87 87 SER HA H 4.606 0.004 . 1033 87 87 SER HB2 H 4.110 0.003 . 1034 87 87 SER HB3 H 3.945 0.005 . 1035 87 87 SER C C 174.673 0.001 . 1036 87 87 SER CA C 59.908 0.046 . 1037 87 87 SER CB C 63.602 0.036 . 1038 87 87 SER N N 120.386 0.050 . 1039 88 88 ASP H H 8.464 0.002 . 1040 88 88 ASP HA H 4.577 0.004 . 1041 88 88 ASP HB2 H 2.761 0.006 . 1042 88 88 ASP HB3 H 2.761 0.006 . 1043 88 88 ASP C C 177.211 0.001 . 1044 88 88 ASP CA C 55.987 0.013 . 1045 88 88 ASP CB C 40.640 0.064 . 1046 88 88 ASP N N 120.189 0.037 . 1047 89 89 VAL H H 7.783 0.002 . 1048 89 89 VAL HA H 3.987 0.002 . 1049 89 89 VAL HB H 2.203 0.002 . 1050 89 89 VAL HG1 H 1.031 0.006 . 1051 89 89 VAL HG2 H 0.927 0.006 . 1052 89 89 VAL C C 175.071 0.002 . 1053 89 89 VAL CA C 64.434 0.040 . 1054 89 89 VAL CB C 32.963 0.036 . 1055 89 89 VAL CG1 C 21.573 0.108 . 1056 89 89 VAL CG2 C 21.112 0.044 . 1057 89 89 VAL N N 118.259 0.028 . 1058 90 90 LEU H H 7.537 0.005 . 1059 90 90 LEU HA H 4.480 0.003 . 1060 90 90 LEU HB2 H 1.587 0.002 . 1061 90 90 LEU HB3 H 1.473 0.002 . 1062 90 90 LEU HG H 1.536 0.007 . 1063 90 90 LEU HD1 H 0.811 0.003 . 1064 90 90 LEU HD2 H 0.811 0.003 . 1065 90 90 LEU C C 173.881 0.002 . 1066 90 90 LEU CA C 54.366 0.038 . 1067 90 90 LEU CB C 44.266 0.027 . 1068 90 90 LEU CG C 26.759 0.048 . 1069 90 90 LEU CD1 C 25.260 0.031 . 1070 90 90 LEU CD2 C 25.260 0.031 . 1071 90 90 LEU N N 118.198 0.131 . 1072 91 91 LYS H H 8.121 0.004 . 1073 91 91 LYS HA H 4.433 0.005 . 1074 91 91 LYS HB2 H 1.764 0.001 . 1075 91 91 LYS HB3 H 1.764 0.001 . 1076 91 91 LYS HG2 H 1.440 0.007 . 1077 91 91 LYS HG3 H 1.376 0.006 . 1078 91 91 LYS HD2 H 1.695 0.000 . 1079 91 91 LYS HD3 H 1.695 0.000 . 1080 91 91 LYS HE2 H 3.018 0.002 . 1081 91 91 LYS HE3 H 3.018 0.002 . 1082 91 91 LYS C C 175.565 0.003 . 1083 91 91 LYS CA C 55.175 0.045 . 1084 91 91 LYS CB C 33.177 0.030 . 1085 91 91 LYS CG C 24.809 0.036 . 1086 91 91 LYS CD C 28.974 0.080 . 1087 91 91 LYS CE C 42.410 0.003 . 1088 91 91 LYS N N 122.032 0.093 . 1089 92 92 ILE H H 8.086 0.002 . 1090 92 92 ILE HA H 4.267 0.003 . 1091 92 92 ILE HB H 1.412 0.005 . 1092 92 92 ILE HG12 H 0.843 0.004 . 1093 92 92 ILE HG13 H 0.664 0.006 . 1094 92 92 ILE HG2 H 0.502 0.005 . 1095 92 92 ILE HD1 H -0.174 0.007 . 1096 92 92 ILE C C 176.136 0.005 . 1097 92 92 ILE CA C 60.198 0.037 . 1098 92 92 ILE CB C 39.028 0.034 . 1099 92 92 ILE CG1 C 26.523 0.047 . 1100 92 92 ILE CG2 C 17.331 0.036 . 1101 92 92 ILE CD1 C 11.919 0.070 . 1102 92 92 ILE N N 123.168 0.036 . 1103 93 93 THR H H 8.238 0.004 . 1104 93 93 THR HA H 4.487 0.003 . 1105 93 93 THR HB H 4.171 0.007 . 1106 93 93 THR HG2 H 1.178 0.006 . 1107 93 93 THR C C 173.748 0.002 . 1108 93 93 THR CA C 61.605 0.062 . 1109 93 93 THR CB C 70.404 0.058 . 1110 93 93 THR CG2 C 21.360 0.103 . 1111 93 93 THR N N 119.647 0.039 . 1112 94 94 GLY H H 8.133 0.002 . 1113 94 94 GLY HA2 H 3.957 0.005 . 1114 94 94 GLY HA3 H 3.860 0.006 . 1115 94 94 GLY C C 172.757 0.002 . 1116 94 94 GLY CA C 44.714 0.042 . 1117 94 94 GLY N N 111.397 0.034 . 1118 95 95 ASP H H 8.285 0.002 . 1119 95 95 ASP HA H 4.743 0.009 . 1120 95 95 ASP HB2 H 2.666 0.005 . 1121 95 95 ASP HB3 H 2.574 0.006 . 1122 95 95 ASP C C 175.600 0.002 . 1123 95 95 ASP CA C 54.183 0.019 . 1124 95 95 ASP CB C 41.877 0.062 . 1125 95 95 ASP N N 119.905 0.038 . 1126 96 96 THR H H 7.936 0.003 . 1127 96 96 THR HA H 4.136 0.004 . 1128 96 96 THR HB H 3.567 0.008 . 1129 96 96 THR HG2 H 0.503 0.005 . 1130 96 96 THR C C 173.508 0.002 . 1131 96 96 THR CA C 61.369 0.069 . 1132 96 96 THR CB C 69.775 0.070 . 1133 96 96 THR CG2 C 20.639 0.079 . 1134 96 96 THR N N 115.409 0.070 . 1135 97 97 GLU H H 8.186 0.005 . 1136 97 97 GLU HA H 4.224 0.004 . 1137 97 97 GLU HB2 H 1.846 0.006 . 1138 97 97 GLU HB3 H 1.737 0.002 . 1139 97 97 GLU HG2 H 2.189 0.005 . 1140 97 97 GLU HG3 H 2.130 0.003 . 1141 97 97 GLU C C 175.455 0.004 . 1142 97 97 GLU CA C 56.162 0.089 . 1143 97 97 GLU CB C 30.688 0.110 . 1144 97 97 GLU CG C 36.422 0.017 . 1145 97 97 GLU N N 123.162 0.032 . 1146 98 98 ASN H H 7.997 0.002 . 1147 98 98 ASN HA H 4.521 0.006 . 1148 98 98 ASN HB2 H 2.698 0.008 . 1149 98 98 ASN HB3 H 2.616 0.006 . 1150 98 98 ASN HD21 H 7.578 0.004 . 1151 98 98 ASN HD22 H 6.905 0.003 . 1152 98 98 ASN C C 174.251 0.002 . 1153 98 98 ASN CA C 53.449 0.043 . 1154 98 98 ASN CB C 40.229 0.060 . 1155 98 98 ASN N N 117.342 0.044 . 1156 98 98 ASN ND2 N 112.961 0.067 . 1157 99 99 ASP H H 8.365 0.003 . 1158 99 99 ASP HA H 4.593 0.012 . 1159 99 99 ASP HB2 H 2.712 0.011 . 1160 99 99 ASP HB3 H 2.562 0.005 . 1161 99 99 ASP C C 176.261 0.002 . 1162 99 99 ASP CA C 55.138 0.060 . 1163 99 99 ASP CB C 40.395 0.046 . 1164 99 99 ASP N N 120.235 0.018 . 1165 100 100 SER H H 7.862 0.004 . 1166 100 100 SER HA H 4.990 0.015 . 1167 100 100 SER HB2 H 3.820 0.005 . 1168 100 100 SER HB3 H 3.594 0.005 . 1169 100 100 SER C C 172.411 0.003 . 1170 100 100 SER CA C 59.212 0.055 . 1171 100 100 SER CB C 66.127 0.049 . 1172 100 100 SER N N 116.248 0.044 . 1173 101 101 CYS H H 9.231 0.005 . 1174 101 101 CYS HA H 5.056 0.007 . 1175 101 101 CYS HB2 H 2.826 0.007 . 1176 101 101 CYS HB3 H 2.275 0.004 . 1177 101 101 CYS C C 172.356 0.009 . 1178 101 101 CYS CA C 59.446 0.054 . 1179 101 101 CYS CB C 45.631 0.031 . 1180 101 101 CYS N N 121.559 0.038 . 1181 102 102 ALA H H 8.393 0.004 . 1182 102 102 ALA HA H 5.380 0.005 . 1183 102 102 ALA HB H 1.259 0.006 . 1184 102 102 ALA C C 175.442 0.001 . 1185 102 102 ALA CA C 51.627 0.061 . 1186 102 102 ALA CB C 21.971 0.068 . 1187 102 102 ALA N N 124.390 0.069 . 1188 103 103 ALA H H 8.859 0.002 . 1189 103 103 ALA HA H 5.491 0.004 . 1190 103 103 ALA HB H 1.022 0.006 . 1191 103 103 ALA C C 176.664 0.004 . 1192 103 103 ALA CA C 50.383 0.063 . 1193 103 103 ALA CB C 23.012 0.032 . 1194 103 103 ALA N N 120.824 0.017 . 1195 104 104 ILE H H 9.301 0.004 . 1196 104 104 ILE HA H 4.618 0.009 . 1197 104 104 ILE HB H 1.761 0.004 . 1198 104 104 ILE HG12 H 1.767 0.006 . 1199 104 104 ILE HG13 H 1.045 0.005 . 1200 104 104 ILE HG2 H 0.891 0.004 . 1201 104 104 ILE HD1 H 0.707 0.005 . 1202 104 104 ILE C C 175.968 0.003 . 1203 104 104 ILE CA C 61.121 0.062 . 1204 104 104 ILE CB C 40.293 0.074 . 1205 104 104 ILE CG1 C 28.086 0.043 . 1206 104 104 ILE CG2 C 17.920 0.059 . 1207 104 104 ILE CD1 C 14.050 0.064 . 1208 104 104 ILE N N 119.488 0.021 . 1209 105 105 SER H H 8.747 0.003 . 1210 105 105 SER HA H 4.793 0.003 . 1211 105 105 SER HB2 H 3.654 0.005 . 1212 105 105 SER HB3 H 3.597 0.004 . 1213 105 105 SER C C 175.288 0.004 . 1214 105 105 SER CA C 56.729 0.044 . 1215 105 105 SER CB C 64.136 0.055 . 1216 105 105 SER N N 121.988 0.035 . 1217 106 106 GLY H H 9.283 0.004 . 1218 106 106 GLY HA2 H 4.028 0.005 . 1219 106 106 GLY HA3 H 3.586 0.004 . 1220 106 106 GLY C C 173.274 0.001 . 1221 106 106 GLY CA C 47.861 0.032 . 1222 106 106 GLY N N 117.934 0.034 . 1223 107 107 ASP H H 8.420 0.003 . 1224 107 107 ASP HA H 4.633 0.007 . 1225 107 107 ASP HB2 H 2.845 0.006 . 1226 107 107 ASP HB3 H 2.637 0.004 . 1227 107 107 ASP C C 174.997 0.004 . 1228 107 107 ASP CA C 53.502 0.033 . 1229 107 107 ASP CB C 40.928 0.029 . 1230 107 107 ASP N N 122.936 0.029 . 1231 108 108 LYS H H 7.764 0.002 . 1232 108 108 LYS HA H 4.724 0.009 . 1233 108 108 LYS HB2 H 1.848 0.002 . 1234 108 108 LYS HB3 H 1.848 0.002 . 1235 108 108 LYS HG2 H 1.525 0.004 . 1236 108 108 LYS HG3 H 1.309 0.005 . 1237 108 108 LYS HD2 H 1.669 0.006 . 1238 108 108 LYS HD3 H 1.669 0.006 . 1239 108 108 LYS HE2 H 2.993 0.005 . 1240 108 108 LYS HE3 H 2.993 0.005 . 1241 108 108 LYS C C 173.949 0.003 . 1242 108 108 LYS CA C 54.743 0.031 . 1243 108 108 LYS CB C 35.423 0.042 . 1244 108 108 LYS CG C 23.345 0.069 . 1245 108 108 LYS CD C 29.150 0.087 . 1246 108 108 LYS CE C 42.200 0.045 . 1247 108 108 LYS N N 116.770 0.047 . 1248 109 109 VAL H H 8.315 0.002 . 1249 109 109 VAL HA H 4.731 0.002 . 1250 109 109 VAL HB H 1.928 0.006 . 1251 109 109 VAL HG1 H 0.880 0.004 . 1252 109 109 VAL HG2 H 0.743 0.008 . 1253 109 109 VAL C C 175.297 0.003 . 1254 109 109 VAL CA C 62.009 0.047 . 1255 109 109 VAL CB C 31.996 0.069 . 1256 109 109 VAL CG1 C 22.091 0.041 . 1257 109 109 VAL CG2 C 22.339 0.013 . 1258 109 109 VAL N N 120.190 0.021 . 1259 110 110 THR H H 9.253 0.004 . 1260 110 110 THR HA H 4.765 0.004 . 1261 110 110 THR HB H 4.069 0.001 . 1262 110 110 THR HG2 H 1.091 0.004 . 1263 110 110 THR C C 172.026 0.002 . 1264 110 110 THR CA C 59.150 0.038 . 1265 110 110 THR CB C 71.063 0.032 . 1266 110 110 THR CG2 C 20.896 0.101 . 1267 110 110 THR N N 121.358 0.039 . 1268 111 111 PHE H H 7.934 0.002 . 1269 111 111 PHE HA H 5.603 0.004 . 1270 111 111 PHE HB2 H 3.065 0.008 . 1271 111 111 PHE HB3 H 3.020 0.004 . 1272 111 111 PHE HD1 H 6.899 0.005 . 1273 111 111 PHE HD2 H 6.899 0.005 . 1274 111 111 PHE HE1 H 6.950 0.003 . 1275 111 111 PHE HE2 H 6.950 0.003 . 1276 111 111 PHE HZ H 6.854 0.004 . 1277 111 111 PHE C C 174.645 0.002 . 1278 111 111 PHE CA C 55.962 0.034 . 1279 111 111 PHE CB C 41.976 0.040 . 1280 111 111 PHE CD1 C 132.375 0.108 . 1281 111 111 PHE CD2 C 132.375 0.108 . 1282 111 111 PHE CE1 C 130.831 0.066 . 1283 111 111 PHE CE2 C 130.831 0.066 . 1284 111 111 PHE CZ C 129.385 0.046 . 1285 111 111 PHE N N 116.390 0.053 . 1286 112 112 GLU H H 9.266 0.004 . 1287 112 112 GLU HA H 4.920 0.004 . 1288 112 112 GLU HB2 H 2.372 0.009 . 1289 112 112 GLU HB3 H 2.090 0.006 . 1290 112 112 GLU HG2 H 2.320 0.009 . 1291 112 112 GLU HG3 H 2.245 0.006 . 1292 112 112 GLU C C 175.303 0.002 . 1293 112 112 GLU CA C 54.687 0.039 . 1294 112 112 GLU CB C 34.154 0.107 . 1295 112 112 GLU CG C 35.289 0.034 . 1296 112 112 GLU N N 119.577 0.041 . 1297 113 113 SER H H 8.880 0.002 . 1298 113 113 SER HA H 4.706 0.007 . 1299 113 113 SER HB2 H 4.211 0.004 . 1300 113 113 SER HB3 H 4.044 0.003 . 1301 113 113 SER C C 178.063 0.003 . 1302 113 113 SER CA C 59.218 0.034 . 1303 113 113 SER CB C 63.646 0.056 . 1304 113 113 SER N N 114.911 0.034 . 1305 114 114 CYS H H 9.143 0.003 . 1306 114 114 CYS HA H 4.271 0.004 . 1307 114 114 CYS HB2 H 3.164 0.005 . 1308 114 114 CYS HB3 H 2.982 0.002 . 1309 114 114 CYS C C 174.382 0.001 . 1310 114 114 CYS CA C 59.652 0.039 . 1311 114 114 CYS CB C 45.624 0.026 . 1312 114 114 CYS N N 125.039 0.040 . 1313 115 115 ASN H H 8.251 0.002 . 1314 115 115 ASN HA H 5.076 0.004 . 1315 115 115 ASN HB2 H 3.083 0.012 . 1316 115 115 ASN HB3 H 2.890 0.005 . 1317 115 115 ASN HD21 H 7.605 0.005 . 1318 115 115 ASN HD22 H 6.958 0.004 . 1319 115 115 ASN C C 175.268 0.003 . 1320 115 115 ASN CA C 53.105 0.044 . 1321 115 115 ASN CB C 38.085 0.080 . 1322 115 115 ASN N N 116.644 0.035 . 1323 115 115 ASN ND2 N 112.325 0.049 . 1324 116 116 SER H H 7.988 0.004 . 1325 116 116 SER HA H 4.509 0.004 . 1326 116 116 SER HB2 H 4.162 0.006 . 1327 116 116 SER HB3 H 4.013 0.008 . 1328 116 116 SER C C 170.342 0.003 . 1329 116 116 SER CA C 59.592 0.032 . 1330 116 116 SER CB C 63.948 0.041 . 1331 116 116 SER N N 117.296 0.041 . 1332 117 117 ASP H H 8.027 0.005 . 1333 117 117 ASP HA H 4.833 0.009 . 1334 117 117 ASP HB2 H 2.445 0.005 . 1335 117 117 ASP HB3 H 2.445 0.005 . 1336 117 117 ASP C C 174.981 0.002 . 1337 117 117 ASP CA C 53.331 0.081 . 1338 117 117 ASP CB C 41.632 0.063 . 1339 117 117 ASP N N 119.393 0.080 . 1340 118 118 ASN H H 8.634 0.003 . 1341 118 118 ASN HA H 4.940 0.006 . 1342 118 118 ASN HB2 H 2.096 0.007 . 1343 118 118 ASN HB3 H 0.497 0.004 . 1344 118 118 ASN HD21 H 6.644 0.003 . 1345 118 118 ASN HD22 H 3.125 0.003 . 1346 118 118 ASN C C 176.169 0.001 . 1347 118 118 ASN CA C 52.074 0.036 . 1348 118 118 ASN CB C 41.232 0.077 . 1349 118 118 ASN N N 121.127 0.049 . 1350 118 118 ASN ND2 N 108.863 0.064 . 1351 119 119 ARG H H 6.943 0.004 . 1352 119 119 ARG HA H 4.491 0.008 . 1353 119 119 ARG HB2 H 1.850 0.004 . 1354 119 119 ARG HB3 H 0.880 0.005 . 1355 119 119 ARG HG2 H 1.352 0.006 . 1356 119 119 ARG HG3 H 1.003 0.004 . 1357 119 119 ARG HD2 H 2.769 0.004 . 1358 119 119 ARG HD3 H 2.610 0.004 . 1359 119 119 ARG HE H 6.846 0.003 . 1360 119 119 ARG C C 174.125 0.003 . 1361 119 119 ARG CA C 56.668 0.053 . 1362 119 119 ARG CB C 32.343 0.045 . 1363 119 119 ARG CG C 27.030 0.064 . 1364 119 119 ARG CD C 43.990 0.061 . 1365 119 119 ARG N N 118.108 0.029 . 1366 119 119 ARG NE N 84.506 0.055 . 1367 120 120 TRP H H 8.511 0.004 . 1368 120 120 TRP HA H 5.725 0.004 . 1369 120 120 TRP HB2 H 3.894 0.006 . 1370 120 120 TRP HB3 H 3.230 0.005 . 1371 120 120 TRP HD1 H 7.078 0.003 . 1372 120 120 TRP HE1 H 10.641 0.004 . 1373 120 120 TRP HE3 H 7.874 0.002 . 1374 120 120 TRP HZ2 H 7.267 0.003 . 1375 120 120 TRP HZ3 H 7.085 0.006 . 1376 120 120 TRP HH2 H 7.081 0.013 . 1377 120 120 TRP C C 173.109 0.002 . 1378 120 120 TRP CA C 57.648 0.063 . 1379 120 120 TRP CB C 33.071 0.120 . 1380 120 120 TRP CD1 C 126.642 0.047 . 1381 120 120 TRP CE3 C 120.207 0.064 . 1382 120 120 TRP CZ2 C 113.862 0.057 . 1383 120 120 TRP CZ3 C 123.752 0.210 . 1384 120 120 TRP CH2 C 124.434 0.108 . 1385 120 120 TRP N N 113.700 0.039 . 1386 120 120 TRP NE1 N 130.422 0.014 . 1387 121 121 ILE H H 7.551 0.003 . 1388 121 121 ILE HA H 5.338 0.005 . 1389 121 121 ILE HB H 1.795 0.005 . 1390 121 121 ILE HG12 H 1.617 0.003 . 1391 121 121 ILE HG13 H 0.927 0.003 . 1392 121 121 ILE HG2 H 1.019 0.007 . 1393 121 121 ILE HD1 H 0.544 0.005 . 1394 121 121 ILE C C 176.617 0.002 . 1395 121 121 ILE CA C 59.430 0.041 . 1396 121 121 ILE CB C 41.408 0.074 . 1397 121 121 ILE CG1 C 28.127 0.048 . 1398 121 121 ILE CG2 C 18.678 0.047 . 1399 121 121 ILE CD1 C 14.425 0.018 . 1400 121 121 ILE N N 117.255 0.040 . 1401 122 122 CYS H H 9.449 0.003 . 1402 122 122 CYS HA H 6.004 0.003 . 1403 122 122 CYS HB2 H 3.316 0.006 . 1404 122 122 CYS HB3 H 2.478 0.006 . 1405 122 122 CYS C C 174.897 0.002 . 1406 122 122 CYS CA C 51.576 0.026 . 1407 122 122 CYS CB C 39.418 0.030 . 1408 122 122 CYS N N 122.116 0.036 . 1409 123 123 GLN H H 10.073 0.005 . 1410 123 123 GLN HA H 6.227 0.005 . 1411 123 123 GLN HB2 H 2.339 0.005 . 1412 123 123 GLN HB3 H 1.889 0.003 . 1413 123 123 GLN HG2 H 2.308 0.009 . 1414 123 123 GLN HG3 H 2.254 0.007 . 1415 123 123 GLN HE21 H 7.953 0.003 . 1416 123 123 GLN HE22 H 6.982 0.004 . 1417 123 123 GLN C C 174.014 0.002 . 1418 123 123 GLN CA C 53.829 0.016 . 1419 123 123 GLN CB C 34.972 0.093 . 1420 123 123 GLN CG C 33.284 0.080 . 1421 123 123 GLN N N 118.635 0.045 . 1422 123 123 GLN NE2 N 114.135 0.063 . 1423 124 124 LYS H H 9.115 0.005 . 1424 124 124 LYS HA H 4.839 0.006 . 1425 124 124 LYS HB2 H 1.659 0.004 . 1426 124 124 LYS HB3 H 1.411 0.005 . 1427 124 124 LYS HG2 H 1.336 0.011 . 1428 124 124 LYS HG3 H 1.308 0.005 . 1429 124 124 LYS HD2 H 1.080 0.004 . 1430 124 124 LYS HD3 H 0.922 0.004 . 1431 124 124 LYS HE2 H 2.530 0.011 . 1432 124 124 LYS HE3 H 2.530 0.011 . 1433 124 124 LYS C C 174.809 0.003 . 1434 124 124 LYS CA C 55.403 0.049 . 1435 124 124 LYS CB C 37.577 0.042 . 1436 124 124 LYS CG C 24.517 0.061 . 1437 124 124 LYS CD C 29.426 0.058 . 1438 124 124 LYS CE C 41.635 0.068 . 1439 124 124 LYS N N 121.677 0.044 . 1440 125 125 GLU H H 8.695 0.004 . 1441 125 125 GLU HA H 4.575 0.007 . 1442 125 125 GLU HB2 H 2.042 0.003 . 1443 125 125 GLU HB3 H 1.882 0.006 . 1444 125 125 GLU HG2 H 2.239 0.005 . 1445 125 125 GLU HG3 H 2.191 0.002 . 1446 125 125 GLU C C 176.057 0.004 . 1447 125 125 GLU CA C 56.021 0.044 . 1448 125 125 GLU CB C 31.152 0.105 . 1449 125 125 GLU CG C 36.813 0.030 . 1450 125 125 GLU N N 122.487 0.041 . 1451 126 126 LEU H H 8.332 0.005 . 1452 126 126 LEU HA H 4.139 0.007 . 1453 126 126 LEU HB2 H 1.388 0.006 . 1454 126 126 LEU HB3 H 1.162 0.004 . 1455 126 126 LEU HG H 1.276 0.006 . 1456 126 126 LEU HD1 H 0.661 0.003 . 1457 126 126 LEU HD2 H 0.587 0.002 . 1458 126 126 LEU C C 176.479 0.006 . 1459 126 126 LEU CA C 55.583 0.122 . 1460 126 126 LEU CB C 42.625 0.029 . 1461 126 126 LEU CG C 26.844 0.057 . 1462 126 126 LEU CD1 C 25.100 0.065 . 1463 126 126 LEU CD2 C 23.485 0.046 . 1464 126 126 LEU N N 123.898 0.065 . 1465 127 127 TYR H H 8.028 0.004 . 1466 127 127 TYR HA H 4.529 0.004 . 1467 127 127 TYR HB2 H 2.998 0.006 . 1468 127 127 TYR HB3 H 2.907 0.002 . 1469 127 127 TYR HD1 H 7.077 0.007 . 1470 127 127 TYR HD2 H 7.077 0.007 . 1471 127 127 TYR HE1 H 6.804 0.005 . 1472 127 127 TYR HE2 H 6.804 0.005 . 1473 127 127 TYR C C 175.072 0.005 . 1474 127 127 TYR CA C 57.486 0.026 . 1475 127 127 TYR CB C 38.869 0.092 . 1476 127 127 TYR CD1 C 133.303 0.030 . 1477 127 127 TYR CD2 C 133.303 0.030 . 1478 127 127 TYR CE1 C 118.286 0.021 . 1479 127 127 TYR CE2 C 118.286 0.021 . 1480 127 127 TYR N N 118.052 0.056 . 1481 128 128 HIS H H 8.014 0.002 . 1482 128 128 HIS HA H 4.584 0.002 . 1483 128 128 HIS HB2 H 3.137 0.003 . 1484 128 128 HIS HB3 H 3.050 0.003 . 1485 128 128 HIS HD2 H 7.119 0.005 . 1486 128 128 HIS HE1 H 8.197 0.000 . 1487 128 128 HIS C C 174.487 0.001 . 1488 128 128 HIS CA C 55.688 0.058 . 1489 128 128 HIS CB C 30.515 0.041 . 1490 128 128 HIS CD2 C 120.061 0.052 . 1491 128 128 HIS CE1 C 137.418 0.000 . 1492 128 128 HIS N N 120.723 0.042 . 1493 129 129 GLU H H 8.424 0.005 . 1494 129 129 GLU HA H 4.284 0.011 . 1495 129 129 GLU HB2 H 2.041 0.006 . 1496 129 129 GLU HB3 H 1.948 0.003 . 1497 129 129 GLU HG2 H 2.241 0.007 . 1498 129 129 GLU HG3 H 2.241 0.007 . 1499 129 129 GLU C C 176.492 0.003 . 1500 129 129 GLU CA C 56.817 0.040 . 1501 129 129 GLU CB C 30.472 0.118 . 1502 129 129 GLU CG C 36.272 0.034 . 1503 129 129 GLU N N 122.855 0.062 . 1504 130 130 THR H H 8.311 0.001 . 1505 130 130 THR HA H 4.339 0.005 . 1506 130 130 THR HB H 4.204 0.003 . 1507 130 130 THR HG2 H 1.221 0.006 . 1508 130 130 THR C C 174.589 0.005 . 1509 130 130 THR CA C 62.205 0.075 . 1510 130 130 THR CB C 69.939 0.071 . 1511 130 130 THR CG2 C 21.704 0.073 . 1512 130 130 THR N N 116.228 0.106 . 1513 131 131 LEU H H 8.294 0.003 . 1514 131 131 LEU HA H 4.410 0.002 . 1515 131 131 LEU HB2 H 1.634 0.010 . 1516 131 131 LEU HB3 H 1.634 0.010 . 1517 131 131 LEU HG H 1.625 0.004 . 1518 131 131 LEU HD1 H 0.908 0.000 . 1519 131 131 LEU HD2 H 0.862 0.004 . 1520 131 131 LEU C C 177.438 0.001 . 1521 131 131 LEU CA C 55.362 0.026 . 1522 131 131 LEU CB C 42.356 0.065 . 1523 131 131 LEU CG C 27.115 0.094 . 1524 131 131 LEU CD1 C 24.876 0.000 . 1525 131 131 LEU CD2 C 23.523 0.022 . 1526 131 131 LEU N N 124.856 0.041 . 1527 132 132 SER H H 8.255 0.002 . 1528 132 132 SER HA H 4.397 0.005 . 1529 132 132 SER HB2 H 3.843 0.006 . 1530 132 132 SER HB3 H 3.811 0.004 . 1531 132 132 SER C C 174.250 0.027 . 1532 132 132 SER CA C 58.571 0.059 . 1533 132 132 SER CB C 63.862 0.043 . 1534 132 132 SER N N 116.127 0.076 . 1535 133 133 ASN H H 8.293 0.004 . 1536 133 133 ASN HA H 4.692 0.005 . 1537 133 133 ASN HB2 H 2.750 0.002 . 1538 133 133 ASN HB3 H 2.706 0.004 . 1539 133 133 ASN HD21 H 7.504 0.003 . 1540 133 133 ASN HD22 H 6.826 0.003 . 1541 133 133 ASN C C 174.658 0.003 . 1542 133 133 ASN CA C 53.339 0.045 . 1543 133 133 ASN CB C 38.838 0.048 . 1544 133 133 ASN N N 120.181 0.048 . 1545 133 133 ASN ND2 N 112.282 0.033 . 1546 134 134 TYR H H 8.067 0.002 . 1547 134 134 TYR HA H 4.573 0.003 . 1548 134 134 TYR HB2 H 2.997 0.010 . 1549 134 134 TYR HB3 H 2.997 0.010 . 1550 134 134 TYR HD1 H 7.178 0.002 . 1551 134 134 TYR HD2 H 7.178 0.002 . 1552 134 134 TYR HE1 H 6.875 0.000 . 1553 134 134 TYR HE2 H 6.875 0.000 . 1554 134 134 TYR C C 175.726 0.003 . 1555 134 134 TYR CA C 58.149 0.022 . 1556 134 134 TYR CB C 38.845 0.028 . 1557 134 134 TYR CD1 C 133.261 0.063 . 1558 134 134 TYR CD2 C 133.261 0.063 . 1559 134 134 TYR CE1 C 118.681 0.000 . 1560 134 134 TYR CE2 C 118.681 0.000 . 1561 134 134 TYR N N 120.605 0.063 . 1562 135 135 VAL H H 7.952 0.003 . 1563 135 135 VAL HA H 4.047 0.005 . 1564 135 135 VAL HB H 2.009 0.005 . 1565 135 135 VAL HG1 H 0.884 0.004 . 1566 135 135 VAL HG2 H 0.865 0.003 . 1567 135 135 VAL C C 176.130 0.003 . 1568 135 135 VAL CA C 62.546 0.078 . 1569 135 135 VAL CB C 32.778 0.055 . 1570 135 135 VAL CG1 C 20.464 0.055 . 1571 135 135 VAL CG2 C 21.116 0.053 . 1572 135 135 VAL N N 122.466 0.069 . 1573 136 136 GLY H H 7.915 0.001 . 1574 136 136 GLY HA2 H 3.908 0.007 . 1575 136 136 GLY HA3 H 3.798 0.020 . 1576 136 136 GLY C C 173.652 0.002 . 1577 136 136 GLY CA C 45.218 0.088 . 1578 136 136 GLY N N 111.336 0.034 . 1579 137 137 TYR H H 7.994 0.001 . 1580 137 137 TYR HA H 4.564 0.003 . 1581 137 137 TYR HB2 H 3.060 0.002 . 1582 137 137 TYR HB3 H 2.937 0.005 . 1583 137 137 TYR HD1 H 7.217 0.005 . 1584 137 137 TYR HD2 H 7.217 0.005 . 1585 137 137 TYR HE1 H 6.925 0.005 . 1586 137 137 TYR HE2 H 6.925 0.005 . 1587 137 137 TYR C C 176.375 0.004 . 1588 137 137 TYR CA C 58.168 0.023 . 1589 137 137 TYR CB C 38.925 0.025 . 1590 137 137 TYR CD1 C 133.494 0.060 . 1591 137 137 TYR CD2 C 133.494 0.060 . 1592 137 137 TYR CE1 C 118.664 0.050 . 1593 137 137 TYR CE2 C 118.664 0.050 . 1594 137 137 TYR N N 119.801 0.107 . 1595 138 138 GLY H H 8.345 0.001 . 1596 138 138 GLY HA2 H 3.894 0.004 . 1597 138 138 GLY HA3 H 3.798 0.014 . 1598 138 138 GLY C C 173.159 0.001 . 1599 138 138 GLY CA C 45.375 0.055 . 1600 138 138 GLY N N 110.979 0.040 . 1601 139 139 HIS H H 7.759 0.002 . 1602 139 139 HIS HA H 4.478 0.001 . 1603 139 139 HIS HB2 H 3.241 0.005 . 1604 139 139 HIS HB3 H 3.058 0.003 . 1605 139 139 HIS HE1 H 7.896 0.000 . 1606 139 139 HIS C C 179.188 0.000 . 1607 139 139 HIS CA C 57.071 0.029 . 1608 139 139 HIS CB C 30.547 0.022 . 1609 139 139 HIS CE1 C 138.934 0.022 . 1610 139 139 HIS N N 123.460 0.019 . stop_ save_