data_16617 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of Avian Thymic Hormone ; _BMRB_accession_number 16617 _BMRB_flat_file_name bmr16617.str _Entry_type original _Submission_date 2009-11-24 _Accession_date 2009-11-24 _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 Henzl Michael T. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 609 "13C chemical shifts" 428 "15N chemical shifts" 110 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-18 update BMRB 'complete entry citation' 2010-03-22 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of avian thymic hormone, a high-affinity avian beta-parvalbumin, in the Ca2+-free and Ca2+-bound states.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20156445 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Schuermann Jonathan P. . 2 Tan Anmin . . 3 Tanner John J. . 4 Henzl Michael T. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 397 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 991 _Page_last 1002 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name ATH _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label ATH $ATH 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_ATH _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common ATH _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 108 _Mol_residue_sequence ; AITDILSAKDIESALSSCQA ADSFNYKSFFSTVGLSSKTP DQIKKVFGILDQDKSGFIEE EELQLFLKNFSSSARVLTSA ETKAFLAAGDTDGDGKIGVE EFQSLVKA ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ILE 3 THR 4 ASP 5 ILE 6 LEU 7 SER 8 ALA 9 LYS 10 ASP 11 ILE 12 GLU 13 SER 14 ALA 15 LEU 16 SER 17 SER 18 CYS 19 GLN 20 ALA 21 ALA 22 ASP 23 SER 24 PHE 25 ASN 26 TYR 27 LYS 28 SER 29 PHE 30 PHE 31 SER 32 THR 33 VAL 34 GLY 35 LEU 36 SER 37 SER 38 LYS 39 THR 40 PRO 41 ASP 42 GLN 43 ILE 44 LYS 45 LYS 46 VAL 47 PHE 48 GLY 49 ILE 50 LEU 51 ASP 52 GLN 53 ASP 54 LYS 55 SER 56 GLY 57 PHE 58 ILE 59 GLU 60 GLU 61 GLU 62 GLU 63 LEU 64 GLN 65 LEU 66 PHE 67 LEU 68 LYS 69 ASN 70 PHE 71 SER 72 SER 73 SER 74 ALA 75 ARG 76 VAL 77 LEU 78 THR 79 SER 80 ALA 81 GLU 82 THR 83 LYS 84 ALA 85 PHE 86 LEU 87 ALA 88 ALA 89 GLY 90 ASP 91 THR 92 ASP 93 GLY 94 ASP 95 GLY 96 LYS 97 ILE 98 GLY 99 VAL 100 GLU 101 GLU 102 PHE 103 GLN 104 SER 105 LEU 106 VAL 107 LYS 108 ALA stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-07 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 2KQY "Solution Structure Of Avian Thymic Hormone" 100.00 108 100.00 100.00 2.59e-67 PDB 3FS7 "Crystal Structure Of Gallus Gallus Beta-Parvalbumin (Avian Thymic Hormone)" 100.00 109 100.00 100.00 2.20e-67 GB AAA48605 "avian thymic hormone [Gallus gallus]" 100.00 109 100.00 100.00 2.20e-67 GB AAA48606 "avian thymic hormone, partial [Gallus gallus]" 57.41 62 98.39 98.39 1.26e-32 GB EMC89994 "Parvalbumin, thymic, partial [Columba livia]" 100.00 110 97.22 98.15 8.26e-65 GB EOB00978 "Parvalbumin, thymic, partial [Anas platyrhynchos]" 75.00 81 98.77 100.00 1.74e-47 GB KFM12340 "Parvalbumin, thymic [Aptenodytes forsteri]" 100.00 109 99.07 99.07 2.27e-66 REF NP_001007478 "parvalbumin, thymic [Gallus gallus]" 100.00 109 100.00 100.00 2.20e-67 REF XP_003210593 "PREDICTED: parvalbumin, thymic [Meleagris gallopavo]" 100.00 109 100.00 100.00 2.20e-67 REF XP_005020104 "PREDICTED: parvalbumin, thymic [Anas platyrhynchos]" 100.00 109 97.22 99.07 8.57e-66 REF XP_005229015 "PREDICTED: parvalbumin, thymic [Falco peregrinus]" 100.00 109 97.22 99.07 3.69e-65 REF XP_005442564 "PREDICTED: parvalbumin, thymic [Falco cherrug]" 100.00 109 97.22 99.07 3.69e-65 SP P19753 "RecName: Full=Parvalbumin, thymic; AltName: Full=Avian thymic hormone; Short=ATH; AltName: Full=Thymus-specific antigen T1" 100.00 109 100.00 100.00 2.20e-67 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $ATH chicken 9031 Eukaryota Metazoa Gallus gallus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $ATH 'recombinant technology' . Escherichia coli BL21 DE3 pET11 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium chloride' 150 mM 'natural abundance' MES 10 mM 'natural abundance' THP 5 mM 'natural abundance' $ATH 3 mM '[U-98% 13C; U-98% 15N]' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium chloride' 150 mM 'natural abundance' MES 10 mM 'natural abundance' THP 5 mM 'natural abundance' $ATH 3 mM '[U-15% 13C; U-98% 15N]' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium chloride' 150 mM 'natural abundance' MES 10 mM 'natural abundance' THP 5 mM 'natural abundance' $ATH 3 mM '[U-98% 15N]' stop_ save_ ############################ # Computer software used # ############################ 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 . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' stop_ _Details . save_ save_VNMRJ _Saveframe_category software _Name VNMRJ _Version . loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _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_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HCACOCANH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCACOCANH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_TOCSY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N TOCSY' _Sample_label $sample_1 save_ save_2D_HBCBCGCDHD_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HBCBCGCDHD' _Sample_label $sample_1 save_ save_2D_HBCBCGCDCEHE_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HBCBCGCDCEHE' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_17 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_2 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.16 0.05 M pH 6.0 0.05 pH pressure 1 . atm temperature 273 0.5 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 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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' '2D 1H-13C HSQC' '3D HNCA' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' '3D HCACOCANH' '3D C(CO)NH' '3D HCCH-TOCSY' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D 1H-15N TOCSY' '2D HBCBCGCDHD' '2D HBCBCGCDCEHE' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name ATH _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 ILE HA H 3.897 0.02 . 2 2 2 ILE HB H 1.795 0.02 . 3 2 2 ILE HD1 H 0.480 0.02 . 4 2 2 ILE HG12 H 1.133 0.02 . 5 2 2 ILE HG13 H 1.426 0.02 . 6 2 2 ILE HG2 H 0.999 0.02 . 7 2 2 ILE C C 176.400 0.3 . 8 2 2 ILE CA C 63.860 0.3 . 9 2 2 ILE CB C 38.260 0.3 . 10 2 2 ILE CD1 C 13.900 0.3 . 11 2 2 ILE CG1 C 29.844 0.3 . 12 2 2 ILE CG2 C 18.400 0.3 . 13 3 3 THR H H 7.293 0.02 . 14 3 3 THR HA H 4.990 0.02 . 15 3 3 THR HB H 4.620 0.02 . 16 3 3 THR HG2 H 1.260 0.02 . 17 3 3 THR C C 175.010 0.3 . 18 3 3 THR CA C 62.290 0.3 . 19 3 3 THR CB C 67.900 0.3 . 20 3 3 THR CG2 C 22.533 0.3 . 21 3 3 THR N N 108.950 0.2 . 22 4 4 ASP H H 7.749 0.02 . 23 4 4 ASP HA H 4.690 0.02 . 24 4 4 ASP HB2 H 2.780 0.02 . 25 4 4 ASP HB3 H 2.850 0.02 . 26 4 4 ASP C C 176.010 0.3 . 27 4 4 ASP CA C 55.760 0.3 . 28 4 4 ASP CB C 41.190 0.3 . 29 4 4 ASP N N 118.685 0.2 . 30 5 5 ILE H H 7.456 0.02 . 31 5 5 ILE HA H 4.076 0.02 . 32 5 5 ILE HB H 1.668 0.02 . 33 5 5 ILE HD1 H 0.850 0.02 . 34 5 5 ILE HG12 H 1.098 0.02 . 35 5 5 ILE HG13 H 1.520 0.02 . 36 5 5 ILE HG2 H 0.880 0.02 . 37 5 5 ILE C C 174.200 0.3 . 38 5 5 ILE CA C 62.550 0.3 . 39 5 5 ILE CB C 41.380 0.3 . 40 5 5 ILE CD1 C 14.460 0.3 . 41 5 5 ILE CG1 C 28.200 0.3 . 42 5 5 ILE CG2 C 17.850 0.3 . 43 5 5 ILE N N 118.090 0.2 . 44 6 6 LEU H H 7.917 0.02 . 45 6 6 LEU HA H 4.730 0.02 . 46 6 6 LEU HB2 H 1.596 0.02 . 47 6 6 LEU HB3 H 1.686 0.02 . 48 6 6 LEU HD1 H 0.922 0.02 . 49 6 6 LEU HD2 H 1.153 0.02 . 50 6 6 LEU HG H 1.690 0.02 . 51 6 6 LEU C C 175.010 0.3 . 52 6 6 LEU CA C 51.900 0.3 . 53 6 6 LEU CB C 43.310 0.3 . 54 6 6 LEU CD1 C 22.200 0.3 . 55 6 6 LEU CD2 C 26.300 0.3 . 56 6 6 LEU CG C 26.900 0.3 . 57 6 6 LEU N N 117.867 0.2 . 58 7 7 SER H H 8.669 0.02 . 59 7 7 SER HA H 4.560 0.02 . 60 7 7 SER HB2 H 3.931 0.02 . 61 7 7 SER HB3 H 4.095 0.02 . 62 7 7 SER C C 176.300 0.3 . 63 7 7 SER CA C 56.900 0.3 . 64 7 7 SER CB C 63.800 0.3 . 65 7 7 SER N N 114.669 0.2 . 66 8 8 ALA H H 9.168 0.02 . 67 8 8 ALA HA H 4.051 0.02 . 68 8 8 ALA HB H 1.522 0.02 . 69 8 8 ALA C C 180.200 0.3 . 70 8 8 ALA CA C 55.580 0.3 . 71 8 8 ALA CB C 18.190 0.3 . 72 8 8 ALA N N 129.537 0.2 . 73 9 9 LYS H H 8.278 0.02 . 74 9 9 LYS HA H 4.118 0.02 . 75 9 9 LYS HB2 H 1.740 0.02 . 76 9 9 LYS HB3 H 1.801 0.02 . 77 9 9 LYS HD2 H 1.655 0.02 . 78 9 9 LYS HD3 H 1.655 0.02 . 79 9 9 LYS HE2 H 2.930 0.02 . 80 9 9 LYS HE3 H 2.930 0.02 . 81 9 9 LYS HG2 H 1.420 0.02 . 82 9 9 LYS HG3 H 1.470 0.02 . 83 9 9 LYS C C 178.700 0.3 . 84 9 9 LYS CA C 58.800 0.3 . 85 9 9 LYS CB C 32.040 0.3 . 86 9 9 LYS CD C 28.900 0.3 . 87 9 9 LYS CE C 42.158 0.3 . 88 9 9 LYS CG C 24.420 0.3 . 89 9 9 LYS N N 117.852 0.2 . 90 10 10 ASP H H 7.239 0.02 . 91 10 10 ASP HA H 4.395 0.02 . 92 10 10 ASP HB2 H 3.020 0.02 . 93 10 10 ASP HB3 H 2.810 0.02 . 94 10 10 ASP C C 178.500 0.3 . 95 10 10 ASP CA C 56.990 0.3 . 96 10 10 ASP CB C 39.500 0.3 . 97 10 10 ASP N N 121.518 0.2 . 98 11 11 ILE H H 8.257 0.02 . 99 11 11 ILE HA H 3.465 0.02 . 100 11 11 ILE HB H 1.987 0.02 . 101 11 11 ILE HD1 H 0.950 0.02 . 102 11 11 ILE HG12 H 1.710 0.02 . 103 11 11 ILE HG13 H 0.810 0.02 . 104 11 11 ILE HG2 H 1.001 0.02 . 105 11 11 ILE C C 177.100 0.3 . 106 11 11 ILE CA C 66.300 0.3 . 107 11 11 ILE CB C 38.240 0.3 . 108 11 11 ILE CD1 C 14.410 0.3 . 109 11 11 ILE CG1 C 30.060 0.3 . 110 11 11 ILE CG2 C 18.200 0.3 . 111 11 11 ILE N N 121.045 0.2 . 112 12 12 GLU H H 8.111 0.02 . 113 12 12 GLU HA H 3.947 0.02 . 114 12 12 GLU HB2 H 2.140 0.02 . 115 12 12 GLU HB3 H 2.140 0.02 . 116 12 12 GLU HG2 H 2.234 0.02 . 117 12 12 GLU HG3 H 2.368 0.02 . 118 12 12 GLU C C 179.900 0.3 . 119 12 12 GLU CA C 59.810 0.3 . 120 12 12 GLU CB C 29.200 0.3 . 121 12 12 GLU CG C 36.090 0.3 . 122 12 12 GLU N N 119.151 0.2 . 123 13 13 SER H H 8.052 0.02 . 124 13 13 SER HA H 4.179 0.02 . 125 13 13 SER HB2 H 3.967 0.02 . 126 13 13 SER HB3 H 3.813 0.02 . 127 13 13 SER C C 177.010 0.3 . 128 13 13 SER CA C 61.400 0.3 . 129 13 13 SER CB C 62.800 0.3 . 130 13 13 SER N N 115.424 0.2 . 131 14 14 ALA H H 8.488 0.02 . 132 14 14 ALA HA H 3.766 0.02 . 133 14 14 ALA HB H 0.756 0.02 . 134 14 14 ALA C C 180.900 0.3 . 135 14 14 ALA CA C 55.080 0.3 . 136 14 14 ALA CB C 18.360 0.3 . 137 14 14 ALA N N 125.024 0.2 . 138 15 15 LEU H H 8.695 0.02 . 139 15 15 LEU HA H 4.236 0.02 . 140 15 15 LEU HB2 H 1.989 0.02 . 141 15 15 LEU HB3 H 1.519 0.02 . 142 15 15 LEU HD1 H 0.909 0.02 . 143 15 15 LEU HD2 H 1.015 0.02 . 144 15 15 LEU HG H 1.920 0.02 . 145 15 15 LEU C C 180.700 0.3 . 146 15 15 LEU CA C 57.460 0.3 . 147 15 15 LEU CB C 41.280 0.3 . 148 15 15 LEU CD1 C 27.550 0.3 . 149 15 15 LEU CD2 C 24.350 0.3 . 150 15 15 LEU CG C 27.300 0.3 . 151 15 15 LEU N N 118.322 0.2 . 152 16 16 SER H H 8.341 0.02 . 153 16 16 SER HA H 4.277 0.02 . 154 16 16 SER HB2 H 4.036 0.02 . 155 16 16 SER HB3 H 4.036 0.02 . 156 16 16 SER C C 177.400 0.3 . 157 16 16 SER CA C 61.550 0.3 . 158 16 16 SER CB C 62.580 0.3 . 159 16 16 SER N N 115.956 0.2 . 160 17 17 SER H H 7.593 0.02 . 161 17 17 SER HA H 4.463 0.02 . 162 17 17 SER HB2 H 4.001 0.02 . 163 17 17 SER HB3 H 4.001 0.02 . 164 17 17 SER C C 174.900 0.3 . 165 17 17 SER CA C 60.520 0.3 . 166 17 17 SER CB C 63.810 0.3 . 167 17 17 SER N N 113.991 0.2 . 168 18 18 CYS H H 7.506 0.02 . 169 18 18 CYS HA H 5.740 0.02 . 170 18 18 CYS HB2 H 3.128 0.02 . 171 18 18 CYS HB3 H 2.944 0.02 . 172 18 18 CYS C C 174.700 0.3 . 173 18 18 CYS CA C 55.430 0.3 . 174 18 18 CYS CB C 27.780 0.3 . 175 18 18 CYS N N 114.491 0.2 . 176 19 19 GLN H H 7.339 0.02 . 177 19 19 GLN HA H 4.125 0.02 . 178 19 19 GLN HB2 H 2.187 0.02 . 179 19 19 GLN HB3 H 2.187 0.02 . 180 19 19 GLN HE21 H 6.910 0.02 . 181 19 19 GLN HE22 H 7.590 0.02 . 182 19 19 GLN HG2 H 2.470 0.02 . 183 19 19 GLN HG3 H 2.570 0.02 . 184 19 19 GLN C C 176.400 0.3 . 185 19 19 GLN CA C 59.200 0.3 . 186 19 19 GLN CB C 29.270 0.3 . 187 19 19 GLN CG C 33.970 0.3 . 188 19 19 GLN N N 122.591 0.2 . 189 19 19 GLN NE2 N 111.600 0.2 . 190 20 20 ALA H H 8.163 0.02 . 191 20 20 ALA HA H 4.290 0.02 . 192 20 20 ALA HB H 1.332 0.02 . 193 20 20 ALA C C 178.500 0.3 . 194 20 20 ALA CA C 51.810 0.3 . 195 20 20 ALA CB C 19.060 0.3 . 196 20 20 ALA N N 119.740 0.2 . 197 21 21 ALA H H 8.906 0.02 . 198 21 21 ALA HA H 3.840 0.02 . 199 21 21 ALA HB H 1.347 0.02 . 200 21 21 ALA C C 177.600 0.3 . 201 21 21 ALA CA C 54.150 0.3 . 202 21 21 ALA CB C 17.920 0.3 . 203 21 21 ALA N N 126.296 0.2 . 204 22 22 ASP H H 7.072 0.02 . 205 22 22 ASP HA H 4.517 0.02 . 206 22 22 ASP HB2 H 2.920 0.02 . 207 22 22 ASP HB3 H 2.920 0.02 . 208 22 22 ASP C C 175.200 0.3 . 209 22 22 ASP CA C 58.550 0.3 . 210 22 22 ASP CB C 38.420 0.3 . 211 22 22 ASP N N 113.934 0.2 . 212 23 23 SER H H 7.694 0.02 . 213 23 23 SER HA H 4.530 0.02 . 214 23 23 SER HB2 H 4.133 0.02 . 215 23 23 SER HB3 H 3.591 0.02 . 216 23 23 SER C C 175.800 0.3 . 217 23 23 SER CA C 58.950 0.3 . 218 23 23 SER CB C 65.270 0.3 . 219 23 23 SER N N 111.400 0.2 . 220 24 24 PHE H H 9.302 0.02 . 221 24 24 PHE HA H 4.169 0.02 . 222 24 24 PHE HB2 H 2.876 0.02 . 223 24 24 PHE HB3 H 2.876 0.02 . 224 24 24 PHE HD1 H 7.198 0.02 . 225 24 24 PHE HD2 H 7.198 0.02 . 226 24 24 PHE HE1 H 6.171 0.02 . 227 24 24 PHE HE2 H 6.171 0.02 . 228 24 24 PHE C C 174.200 0.3 . 229 24 24 PHE CA C 59.940 0.3 . 230 24 24 PHE CB C 40.150 0.3 . 231 24 24 PHE N N 125.587 0.2 . 232 25 25 ASN H H 7.483 0.02 . 233 25 25 ASN HA H 4.463 0.02 . 234 25 25 ASN HB2 H 2.447 0.02 . 235 25 25 ASN HB3 H 2.508 0.02 . 236 25 25 ASN HD21 H 6.742 0.02 . 237 25 25 ASN HD22 H 7.615 0.02 . 238 25 25 ASN C C 175.010 0.3 . 239 25 25 ASN CA C 51.600 0.3 . 240 25 25 ASN CB C 40.720 0.3 . 241 25 25 ASN N N 126.414 0.2 . 242 25 25 ASN ND2 N 113.200 0.2 . 243 26 26 TYR H H 8.321 0.02 . 244 26 26 TYR HA H 2.926 0.02 . 245 26 26 TYR HB2 H 1.954 0.02 . 246 26 26 TYR HB3 H 1.747 0.02 . 247 26 26 TYR HD1 H 6.777 0.02 . 248 26 26 TYR HD2 H 6.777 0.02 . 249 26 26 TYR HE1 H 6.753 0.02 . 250 26 26 TYR HE2 H 6.753 0.02 . 251 26 26 TYR C C 174.400 0.3 . 252 26 26 TYR CA C 60.400 0.3 . 253 26 26 TYR CB C 35.980 0.3 . 254 26 26 TYR N N 124.423 0.2 . 255 27 27 LYS H H 6.140 0.02 . 256 27 27 LYS HA H 3.702 0.02 . 257 27 27 LYS HB2 H 1.460 0.02 . 258 27 27 LYS HB3 H 1.160 0.02 . 259 27 27 LYS HD2 H 1.528 0.02 . 260 27 27 LYS HD3 H 1.528 0.02 . 261 27 27 LYS HE2 H 2.910 0.02 . 262 27 27 LYS HE3 H 2.910 0.02 . 263 27 27 LYS HG2 H 0.969 0.02 . 264 27 27 LYS HG3 H 1.066 0.02 . 265 27 27 LYS C C 179.800 0.3 . 266 27 27 LYS CA C 59.080 0.3 . 267 27 27 LYS CB C 31.750 0.3 . 268 27 27 LYS CD C 29.181 0.3 . 269 27 27 LYS CE C 42.050 0.3 . 270 27 27 LYS CG C 24.950 0.3 . 271 27 27 LYS N N 122.083 0.2 . 272 28 28 SER H H 7.313 0.02 . 273 28 28 SER HA H 4.145 0.02 . 274 28 28 SER HB2 H 3.765 0.02 . 275 28 28 SER HB3 H 3.765 0.02 . 276 28 28 SER C C 176.800 0.3 . 277 28 28 SER CA C 60.300 0.3 . 278 28 28 SER CB C 62.490 0.3 . 279 28 28 SER N N 114.583 0.2 . 280 29 29 PHE H H 8.138 0.02 . 281 29 29 PHE HA H 3.567 0.02 . 282 29 29 PHE HB2 H 2.705 0.02 . 283 29 29 PHE HB3 H 2.557 0.02 . 284 29 29 PHE HD1 H 6.999 0.02 . 285 29 29 PHE HD2 H 6.999 0.02 . 286 29 29 PHE HE1 H 6.563 0.02 . 287 29 29 PHE HE2 H 6.563 0.02 . 288 29 29 PHE C C 177.400 0.3 . 289 29 29 PHE CA C 61.570 0.3 . 290 29 29 PHE CB C 39.780 0.3 . 291 29 29 PHE N N 123.437 0.2 . 292 30 30 PHE H H 8.921 0.02 . 293 30 30 PHE HA H 4.567 0.02 . 294 30 30 PHE HB2 H 3.467 0.02 . 295 30 30 PHE HB3 H 3.287 0.02 . 296 30 30 PHE HD1 H 7.509 0.02 . 297 30 30 PHE HD2 H 7.509 0.02 . 298 30 30 PHE HE1 H 7.346 0.02 . 299 30 30 PHE HE2 H 7.346 0.02 . 300 30 30 PHE C C 178.600 0.3 . 301 30 30 PHE CA C 59.170 0.3 . 302 30 30 PHE CB C 37.310 0.3 . 303 30 30 PHE N N 116.125 0.2 . 304 31 31 SER H H 7.785 0.02 . 305 31 31 SER HA H 4.468 0.02 . 306 31 31 SER HB2 H 3.998 0.02 . 307 31 31 SER HB3 H 3.998 0.02 . 308 31 31 SER C C 178.010 0.3 . 309 31 31 SER CA C 60.600 0.3 . 310 31 31 SER CB C 62.890 0.3 . 311 31 31 SER N N 113.661 0.2 . 312 32 32 THR H H 8.595 0.02 . 313 32 32 THR HA H 3.799 0.02 . 314 32 32 THR HB H 3.803 0.02 . 315 32 32 THR HG2 H 1.040 0.02 . 316 32 32 THR C C 178.800 0.3 . 317 32 32 THR CA C 66.630 0.3 . 318 32 32 THR CB C 68.250 0.3 . 319 32 32 THR CG2 C 21.410 0.3 . 320 32 32 THR N N 120.336 0.2 . 321 33 33 VAL H H 8.390 0.02 . 322 33 33 VAL HA H 3.786 0.02 . 323 33 33 VAL HB H 1.443 0.02 . 324 33 33 VAL HG1 H 0.934 0.02 . 325 33 33 VAL HG2 H 0.885 0.02 . 326 33 33 VAL C C 174.600 0.3 . 327 33 33 VAL CA C 62.220 0.3 . 328 33 33 VAL CB C 31.800 0.3 . 329 33 33 VAL CG1 C 24.100 0.3 . 330 33 33 VAL CG2 C 21.620 0.3 . 331 33 33 VAL N N 115.700 0.2 . 332 34 34 GLY H H 7.264 0.02 . 333 34 34 GLY HA2 H 4.225 0.02 . 334 34 34 GLY HA3 H 3.957 0.02 . 335 34 34 GLY C C 175.700 0.3 . 336 34 34 GLY CA C 45.410 0.3 . 337 34 34 GLY N N 106.007 0.2 . 338 35 35 LEU H H 7.727 0.02 . 339 35 35 LEU HA H 4.108 0.02 . 340 35 35 LEU HB2 H 1.704 0.02 . 341 35 35 LEU HB3 H 1.540 0.02 . 342 35 35 LEU HD1 H 0.955 0.02 . 343 35 35 LEU HD2 H 1.060 0.02 . 344 35 35 LEU HG H 1.788 0.02 . 345 35 35 LEU C C 177.010 0.3 . 346 35 35 LEU CA C 56.920 0.3 . 347 35 35 LEU CB C 43.130 0.3 . 348 35 35 LEU CD1 C 26.080 0.3 . 349 35 35 LEU CD2 C 24.900 0.3 . 350 35 35 LEU CG C 27.190 0.3 . 351 35 35 LEU N N 120.477 0.2 . 352 36 36 SER H H 7.751 0.02 . 353 36 36 SER HA H 4.027 0.02 . 354 36 36 SER HB2 H 3.927 0.02 . 355 36 36 SER HB3 H 3.927 0.02 . 356 36 36 SER C C 174.300 0.3 . 357 36 36 SER CA C 60.880 0.3 . 358 36 36 SER CB C 63.080 0.3 . 359 36 36 SER N N 109.974 0.2 . 360 37 37 SER H H 7.273 0.02 . 361 37 37 SER HA H 4.621 0.02 . 362 37 37 SER HB2 H 4.057 0.02 . 363 37 37 SER HB3 H 3.838 0.02 . 364 37 37 SER C C 174.800 0.3 . 365 37 37 SER CA C 57.390 0.3 . 366 37 37 SER CB C 63.760 0.3 . 367 37 37 SER N N 112.837 0.2 . 368 38 38 LYS H H 7.267 0.02 . 369 38 38 LYS HA H 4.607 0.02 . 370 38 38 LYS HB2 H 2.168 0.02 . 371 38 38 LYS HB3 H 2.022 0.02 . 372 38 38 LYS HD2 H 1.647 0.02 . 373 38 38 LYS HD3 H 1.647 0.02 . 374 38 38 LYS HE2 H 2.870 0.02 . 375 38 38 LYS HE3 H 3.090 0.02 . 376 38 38 LYS HG2 H 1.170 0.02 . 377 38 38 LYS HG3 H 1.996 0.02 . 378 38 38 LYS C C 175.700 0.3 . 379 38 38 LYS CA C 53.550 0.3 . 380 38 38 LYS CB C 31.480 0.3 . 381 38 38 LYS CD C 26.970 0.3 . 382 38 38 LYS CE C 42.540 0.3 . 383 38 38 LYS CG C 24.780 0.3 . 384 38 38 LYS N N 120.732 0.2 . 385 39 39 THR H H 8.539 0.02 . 386 39 39 THR HA H 4.609 0.02 . 387 39 39 THR HB H 4.740 0.02 . 388 39 39 THR HG2 H 1.364 0.02 . 389 39 39 THR C C 174.200 0.3 . 390 39 39 THR CA C 60.300 0.3 . 391 39 39 THR CB C 68.300 0.3 . 392 39 39 THR CG2 C 22.010 0.3 . 393 39 39 THR N N 110.259 0.2 . 394 40 40 PRO HA H 4.267 0.02 . 395 40 40 PRO HB2 H 2.371 0.02 . 396 40 40 PRO HB3 H 2.371 0.02 . 397 40 40 PRO HD2 H 3.899 0.02 . 398 40 40 PRO HD3 H 3.944 0.02 . 399 40 40 PRO HG2 H 2.209 0.02 . 400 40 40 PRO HG3 H 1.953 0.02 . 401 40 40 PRO C C 175.600 0.3 . 402 40 40 PRO CA C 66.240 0.3 . 403 40 40 PRO CB C 31.780 0.3 . 404 40 40 PRO CD C 50.340 0.3 . 405 40 40 PRO CG C 28.300 0.3 . 406 41 41 ASP H H 8.380 0.02 . 407 41 41 ASP HA H 4.340 0.02 . 408 41 41 ASP HB2 H 2.568 0.02 . 409 41 41 ASP HB3 H 2.568 0.02 . 410 41 41 ASP C C 179.010 0.3 . 411 41 41 ASP CA C 57.500 0.3 . 412 41 41 ASP CB C 40.700 0.3 . 413 41 41 ASP N N 115.600 0.2 . 414 42 42 GLN H H 7.770 0.02 . 415 42 42 GLN HA H 3.993 0.02 . 416 42 42 GLN HB2 H 2.627 0.02 . 417 42 42 GLN HB3 H 1.740 0.02 . 418 42 42 GLN HE21 H 6.960 0.02 . 419 42 42 GLN HE22 H 7.700 0.02 . 420 42 42 GLN HG2 H 2.603 0.02 . 421 42 42 GLN HG3 H 2.358 0.02 . 422 42 42 GLN C C 178.500 0.3 . 423 42 42 GLN CA C 59.140 0.3 . 424 42 42 GLN CB C 29.400 0.3 . 425 42 42 GLN CG C 35.050 0.3 . 426 42 42 GLN N N 120.100 0.2 . 427 42 42 GLN NE2 N 112.300 0.2 . 428 43 43 ILE H H 8.600 0.02 . 429 43 43 ILE HA H 3.544 0.02 . 430 43 43 ILE HB H 2.008 0.02 . 431 43 43 ILE HD1 H 0.695 0.02 . 432 43 43 ILE HG12 H 1.710 0.02 . 433 43 43 ILE HG13 H 0.799 0.02 . 434 43 43 ILE HG2 H 0.914 0.02 . 435 43 43 ILE C C 178.200 0.3 . 436 43 43 ILE CA C 66.050 0.3 . 437 43 43 ILE CB C 37.300 0.3 . 438 43 43 ILE CD1 C 13.750 0.3 . 439 43 43 ILE CG1 C 30.083 0.3 . 440 43 43 ILE CG2 C 18.750 0.3 . 441 43 43 ILE N N 120.700 0.2 . 442 44 44 LYS H H 8.430 0.02 . 443 44 44 LYS HA H 3.925 0.02 . 444 44 44 LYS HB2 H 1.930 0.02 . 445 44 44 LYS HB3 H 1.930 0.02 . 446 44 44 LYS HD2 H 1.626 0.02 . 447 44 44 LYS HD3 H 1.639 0.02 . 448 44 44 LYS HE2 H 2.846 0.02 . 449 44 44 LYS HE3 H 2.846 0.02 . 450 44 44 LYS HG2 H 1.293 0.02 . 451 44 44 LYS HG3 H 1.502 0.02 . 452 44 44 LYS C C 179.500 0.3 . 453 44 44 LYS CA C 60.200 0.3 . 454 44 44 LYS CB C 32.100 0.3 . 455 44 44 LYS CD C 29.400 0.3 . 456 44 44 LYS CE C 42.000 0.3 . 457 44 44 LYS CG C 25.910 0.3 . 458 44 44 LYS N N 120.400 0.2 . 459 45 45 LYS H H 7.710 0.02 . 460 45 45 LYS HA H 4.078 0.02 . 461 45 45 LYS HB2 H 2.083 0.02 . 462 45 45 LYS HB3 H 1.845 0.02 . 463 45 45 LYS HD2 H 1.654 0.02 . 464 45 45 LYS HD3 H 1.654 0.02 . 465 45 45 LYS HE2 H 2.930 0.02 . 466 45 45 LYS HE3 H 2.930 0.02 . 467 45 45 LYS HG2 H 1.647 0.02 . 468 45 45 LYS HG3 H 1.417 0.02 . 469 45 45 LYS C C 179.900 0.3 . 470 45 45 LYS CA C 59.500 0.3 . 471 45 45 LYS CB C 32.200 0.3 . 472 45 45 LYS CD C 29.200 0.3 . 473 45 45 LYS CE C 42.290 0.3 . 474 45 45 LYS CG C 25.660 0.3 . 475 45 45 LYS N N 121.200 0.2 . 476 46 46 VAL H H 7.920 0.02 . 477 46 46 VAL HA H 3.457 0.02 . 478 46 46 VAL HB H 2.514 0.02 . 479 46 46 VAL HG1 H 1.114 0.02 . 480 46 46 VAL HG2 H 1.021 0.02 . 481 46 46 VAL C C 177.100 0.3 . 482 46 46 VAL CA C 67.250 0.3 . 483 46 46 VAL CB C 31.020 0.3 . 484 46 46 VAL CG1 C 23.750 0.3 . 485 46 46 VAL CG2 C 20.920 0.3 . 486 46 46 VAL N N 120.000 0.2 . 487 47 47 PHE H H 8.700 0.02 . 488 47 47 PHE HA H 3.130 0.02 . 489 47 47 PHE HB2 H 2.830 0.02 . 490 47 47 PHE HB3 H 3.260 0.02 . 491 47 47 PHE HD1 H 6.549 0.02 . 492 47 47 PHE HD2 H 6.549 0.02 . 493 47 47 PHE HE1 H 6.853 0.02 . 494 47 47 PHE HE2 H 6.853 0.02 . 495 47 47 PHE C C 177.500 0.3 . 496 47 47 PHE CA C 62.680 0.3 . 497 47 47 PHE CB C 38.710 0.3 . 498 47 47 PHE N N 121.200 0.2 . 499 48 48 GLY H H 7.807 0.02 . 500 48 48 GLY HA2 H 3.759 0.02 . 501 48 48 GLY HA3 H 3.759 0.02 . 502 48 48 GLY C C 174.800 0.3 . 503 48 48 GLY CA C 46.740 0.3 . 504 48 48 GLY N N 101.500 0.2 . 505 49 49 ILE H H 7.164 0.02 . 506 49 49 ILE HA H 3.537 0.02 . 507 49 49 ILE HB H 1.784 0.02 . 508 49 49 ILE HD1 H 0.661 0.02 . 509 49 49 ILE HG12 H 1.688 0.02 . 510 49 49 ILE HG13 H 0.947 0.02 . 511 49 49 ILE HG2 H 0.691 0.02 . 512 49 49 ILE C C 176.600 0.3 . 513 49 49 ILE CA C 63.770 0.3 . 514 49 49 ILE CB C 38.430 0.3 . 515 49 49 ILE CD1 C 13.580 0.3 . 516 49 49 ILE CG1 C 28.640 0.3 . 517 49 49 ILE CG2 C 17.010 0.3 . 518 49 49 ILE N N 119.916 0.2 . 519 50 50 LEU H H 7.130 0.02 . 520 50 50 LEU HA H 3.637 0.02 . 521 50 50 LEU HB2 H 1.323 0.02 . 522 50 50 LEU HB3 H 1.049 0.02 . 523 50 50 LEU HD1 H 0.648 0.02 . 524 50 50 LEU HD2 H 0.539 0.02 . 525 50 50 LEU HG H 1.795 0.02 . 526 50 50 LEU C C 177.600 0.3 . 527 50 50 LEU CA C 56.400 0.3 . 528 50 50 LEU CB C 41.280 0.3 . 529 50 50 LEU CD1 C 26.620 0.3 . 530 50 50 LEU CD2 C 23.270 0.3 . 531 50 50 LEU CG C 26.500 0.3 . 532 50 50 LEU N N 117.667 0.2 . 533 51 51 ASP H H 7.284 0.02 . 534 51 51 ASP HA H 4.217 0.02 . 535 51 51 ASP HB2 H 2.409 0.02 . 536 51 51 ASP HB3 H 2.409 0.02 . 537 51 51 ASP C C 176.900 0.3 . 538 51 51 ASP CA C 52.140 0.3 . 539 51 51 ASP CB C 38.680 0.3 . 540 51 51 ASP N N 117.036 0.2 . 541 52 52 GLN H H 7.666 0.02 . 542 52 52 GLN HA H 3.810 0.02 . 543 52 52 GLN HB2 H 2.020 0.02 . 544 52 52 GLN HB3 H 2.070 0.02 . 545 52 52 GLN HG2 H 2.382 0.02 . 546 52 52 GLN HG3 H 2.487 0.02 . 547 52 52 GLN C C 177.700 0.3 . 548 52 52 GLN CA C 58.860 0.3 . 549 52 52 GLN CB C 28.700 0.3 . 550 52 52 GLN CG C 33.950 0.3 . 551 52 52 GLN N N 125.059 0.2 . 552 53 53 ASP H H 8.601 0.02 . 553 53 53 ASP HA H 4.493 0.02 . 554 53 53 ASP HB2 H 2.972 0.02 . 555 53 53 ASP HB3 H 2.637 0.02 . 556 53 53 ASP C C 175.900 0.3 . 557 53 53 ASP CA C 52.600 0.3 . 558 53 53 ASP CB C 38.760 0.3 . 559 53 53 ASP N N 115.929 0.2 . 560 54 54 LYS H H 7.799 0.02 . 561 54 54 LYS HA H 3.941 0.02 . 562 54 54 LYS HB2 H 1.964 0.02 . 563 54 54 LYS HB3 H 1.817 0.02 . 564 54 54 LYS HD2 H 1.562 0.02 . 565 54 54 LYS HD3 H 1.687 0.02 . 566 54 54 LYS HE2 H 2.985 0.02 . 567 54 54 LYS HE3 H 2.985 0.02 . 568 54 54 LYS HG2 H 1.273 0.02 . 569 54 54 LYS HG3 H 1.342 0.02 . 570 54 54 LYS C C 176.800 0.3 . 571 54 54 LYS CA C 56.300 0.3 . 572 54 54 LYS CB C 28.350 0.3 . 573 54 54 LYS CD C 28.200 0.3 . 574 54 54 LYS CE C 42.560 0.3 . 575 54 54 LYS CG C 24.450 0.3 . 576 54 54 LYS N N 117.457 0.2 . 577 55 55 SER H H 9.236 0.02 . 578 55 55 SER HA H 4.327 0.02 . 579 55 55 SER HB2 H 4.082 0.02 . 580 55 55 SER HB3 H 3.807 0.02 . 581 55 55 SER C C 176.400 0.3 . 582 55 55 SER CA C 59.050 0.3 . 583 55 55 SER CB C 64.500 0.3 . 584 55 55 SER N N 118.163 0.2 . 585 56 56 GLY H H 10.882 0.02 . 586 56 56 GLY HA2 H 4.053 0.02 . 587 56 56 GLY HA3 H 3.344 0.02 . 588 56 56 GLY C C 171.800 0.3 . 589 56 56 GLY CA C 44.670 0.3 . 590 56 56 GLY N N 116.117 0.2 . 591 57 57 PHE H H 7.916 0.02 . 592 57 57 PHE HA H 5.258 0.02 . 593 57 57 PHE HB2 H 2.627 0.02 . 594 57 57 PHE HB3 H 2.627 0.02 . 595 57 57 PHE HD1 H 6.945 0.02 . 596 57 57 PHE HD2 H 6.945 0.02 . 597 57 57 PHE HE1 H 7.384 0.02 . 598 57 57 PHE HE2 H 7.384 0.02 . 599 57 57 PHE C C 173.500 0.3 . 600 57 57 PHE CA C 56.150 0.3 . 601 57 57 PHE CB C 43.770 0.3 . 602 57 57 PHE N N 115.699 0.2 . 603 58 58 ILE H H 9.242 0.02 . 604 58 58 ILE HA H 4.346 0.02 . 605 58 58 ILE HB H 1.614 0.02 . 606 58 58 ILE HD1 H 0.261 0.02 . 607 58 58 ILE HG12 H 1.159 0.02 . 608 58 58 ILE HG13 H 0.366 0.02 . 609 58 58 ILE HG2 H 0.688 0.02 . 610 58 58 ILE C C 176.100 0.3 . 611 58 58 ILE CA C 60.630 0.3 . 612 58 58 ILE CB C 38.790 0.3 . 613 58 58 ILE CD1 C 14.390 0.3 . 614 58 58 ILE CG1 C 25.990 0.3 . 615 58 58 ILE CG2 C 18.082 0.3 . 616 58 58 ILE N N 120.193 0.2 . 617 59 59 GLU H H 8.681 0.02 . 618 59 59 GLU HA H 4.584 0.02 . 619 59 59 GLU HB2 H 2.410 0.02 . 620 59 59 GLU HB3 H 1.890 0.02 . 621 59 59 GLU HG2 H 2.240 0.02 . 622 59 59 GLU HG3 H 2.370 0.02 . 623 59 59 GLU C C 177.400 0.3 . 624 59 59 GLU CA C 55.160 0.3 . 625 59 59 GLU CB C 30.890 0.3 . 626 59 59 GLU CG C 36.400 0.3 . 627 59 59 GLU N N 125.766 0.2 . 628 60 60 GLU H H 9.385 0.02 . 629 60 60 GLU HA H 3.566 0.02 . 630 60 60 GLU HB2 H 1.986 0.02 . 631 60 60 GLU HB3 H 2.071 0.02 . 632 60 60 GLU HG2 H 2.147 0.02 . 633 60 60 GLU HG3 H 2.051 0.02 . 634 60 60 GLU C C 177.900 0.3 . 635 60 60 GLU CA C 61.590 0.3 . 636 60 60 GLU CB C 29.510 0.3 . 637 60 60 GLU CG C 36.250 0.3 . 638 60 60 GLU N N 123.309 0.2 . 639 61 61 GLU H H 9.085 0.02 . 640 61 61 GLU HA H 4.024 0.02 . 641 61 61 GLU HB2 H 1.970 0.02 . 642 61 61 GLU HB3 H 2.060 0.02 . 643 61 61 GLU HG2 H 2.293 0.02 . 644 61 61 GLU HG3 H 2.293 0.02 . 645 61 61 GLU C C 178.800 0.3 . 646 61 61 GLU CA C 59.750 0.3 . 647 61 61 GLU CB C 29.260 0.3 . 648 61 61 GLU CG C 36.600 0.3 . 649 61 61 GLU N N 115.709 0.2 . 650 62 62 GLU H H 7.122 0.02 . 651 62 62 GLU HA H 4.055 0.02 . 652 62 62 GLU HB2 H 2.448 0.02 . 653 62 62 GLU HB3 H 1.988 0.02 . 654 62 62 GLU HG2 H 2.290 0.02 . 655 62 62 GLU HG3 H 2.360 0.02 . 656 62 62 GLU C C 180.010 0.3 . 657 62 62 GLU CA C 58.150 0.3 . 658 62 62 GLU CB C 30.100 0.3 . 659 62 62 GLU CG C 37.250 0.3 . 660 62 62 GLU N N 116.582 0.2 . 661 63 63 LEU H H 8.335 0.02 . 662 63 63 LEU HA H 3.938 0.02 . 663 63 63 LEU HB2 H 1.590 0.02 . 664 63 63 LEU HB3 H 1.439 0.02 . 665 63 63 LEU HD1 H 0.267 0.02 . 666 63 63 LEU HD2 H 0.149 0.02 . 667 63 63 LEU HG H 1.420 0.02 . 668 63 63 LEU C C 178.900 0.3 . 669 63 63 LEU CA C 56.820 0.3 . 670 63 63 LEU CB C 41.550 0.3 . 671 63 63 LEU CD1 C 24.150 0.3 . 672 63 63 LEU CD2 C 23.820 0.3 . 673 63 63 LEU CG C 25.900 0.3 . 674 63 63 LEU N N 123.335 0.2 . 675 64 64 GLN H H 7.792 0.02 . 676 64 64 GLN HA H 4.151 0.02 . 677 64 64 GLN HB2 H 2.155 0.02 . 678 64 64 GLN HB3 H 2.155 0.02 . 679 64 64 GLN HE21 H 6.805 0.02 . 680 64 64 GLN HE22 H 7.499 0.02 . 681 64 64 GLN HG2 H 2.550 0.02 . 682 64 64 GLN HG3 H 2.460 0.02 . 683 64 64 GLN C C 178.010 0.3 . 684 64 64 GLN CA C 58.810 0.3 . 685 64 64 GLN CB C 28.100 0.3 . 686 64 64 GLN CG C 34.001 0.3 . 687 64 64 GLN N N 116.942 0.2 . 688 64 64 GLN NE2 N 110.300 0.2 . 689 65 65 LEU H H 7.152 0.02 . 690 65 65 LEU HA H 4.425 0.02 . 691 65 65 LEU HB2 H 1.788 0.02 . 692 65 65 LEU HB3 H 1.788 0.02 . 693 65 65 LEU HD1 H 0.930 0.02 . 694 65 65 LEU HD2 H 0.818 0.02 . 695 65 65 LEU HG H 1.773 0.02 . 696 65 65 LEU C C 177.010 0.3 . 697 65 65 LEU CA C 53.860 0.3 . 698 65 65 LEU CB C 40.960 0.3 . 699 65 65 LEU CD1 C 25.370 0.3 . 700 65 65 LEU CD2 C 22.550 0.3 . 701 65 65 LEU CG C 26.640 0.3 . 702 65 65 LEU N N 117.250 0.2 . 703 66 66 PHE H H 7.757 0.02 . 704 66 66 PHE HA H 3.910 0.02 . 705 66 66 PHE HB2 H 2.526 0.02 . 706 66 66 PHE HB3 H 2.526 0.02 . 707 66 66 PHE HD1 H 6.929 0.02 . 708 66 66 PHE HD2 H 6.929 0.02 . 709 66 66 PHE HE1 H 6.901 0.02 . 710 66 66 PHE HE2 H 6.901 0.02 . 711 66 66 PHE C C 178.010 0.3 . 712 66 66 PHE CA C 62.550 0.3 . 713 66 66 PHE CB C 42.080 0.3 . 714 66 66 PHE N N 119.588 0.2 . 715 67 67 LEU H H 9.197 0.02 . 716 67 67 LEU HA H 3.930 0.02 . 717 67 67 LEU HB2 H 2.030 0.02 . 718 67 67 LEU HB3 H 1.290 0.02 . 719 67 67 LEU HD1 H 0.820 0.02 . 720 67 67 LEU HD2 H 0.496 0.02 . 721 67 67 LEU HG H 1.490 0.02 . 722 67 67 LEU C C 180.010 0.3 . 723 67 67 LEU CA C 57.200 0.3 . 724 67 67 LEU CB C 41.250 0.3 . 725 67 67 LEU CD1 C 25.570 0.3 . 726 67 67 LEU CD2 C 22.970 0.3 . 727 67 67 LEU CG C 26.800 0.3 . 728 67 67 LEU N N 114.236 0.2 . 729 68 68 LYS H H 7.568 0.02 . 730 68 68 LYS HA H 4.645 0.02 . 731 68 68 LYS HB2 H 1.950 0.02 . 732 68 68 LYS HB3 H 1.600 0.02 . 733 68 68 LYS HD2 H 1.674 0.02 . 734 68 68 LYS HD3 H 1.587 0.02 . 735 68 68 LYS HE2 H 2.790 0.02 . 736 68 68 LYS HE3 H 3.070 0.02 . 737 68 68 LYS HG2 H 1.335 0.02 . 738 68 68 LYS HG3 H 1.335 0.02 . 739 68 68 LYS C C 177.800 0.3 . 740 68 68 LYS CA C 56.940 0.3 . 741 68 68 LYS CB C 31.800 0.3 . 742 68 68 LYS CD C 29.680 0.3 . 743 68 68 LYS CE C 42.500 0.3 . 744 68 68 LYS CG C 26.020 0.3 . 745 68 68 LYS N N 117.421 0.2 . 746 69 69 ASN H H 7.037 0.02 . 747 69 69 ASN HA H 4.063 0.02 . 748 69 69 ASN HB2 H 1.835 0.02 . 749 69 69 ASN HB3 H 1.790 0.02 . 750 69 69 ASN C C 174.200 0.3 . 751 69 69 ASN CA C 55.100 0.3 . 752 69 69 ASN CB C 39.850 0.3 . 753 69 69 ASN N N 112.696 0.2 . 754 70 70 PHE H H 7.814 0.02 . 755 70 70 PHE HA H 4.158 0.02 . 756 70 70 PHE HB2 H 3.183 0.02 . 757 70 70 PHE HB3 H 3.108 0.02 . 758 70 70 PHE HD1 H 7.205 0.02 . 759 70 70 PHE HD2 H 7.205 0.02 . 760 70 70 PHE HE1 H 6.298 0.02 . 761 70 70 PHE HE2 H 6.298 0.02 . 762 70 70 PHE C C 175.300 0.3 . 763 70 70 PHE CA C 59.200 0.3 . 764 70 70 PHE CB C 38.800 0.3 . 765 70 70 PHE N N 116.154 0.2 . 766 71 71 SER H H 7.441 0.02 . 767 71 71 SER HA H 4.524 0.02 . 768 71 71 SER HB2 H 3.868 0.02 . 769 71 71 SER HB3 H 3.388 0.02 . 770 71 71 SER C C 177.500 0.3 . 771 71 71 SER CA C 57.250 0.3 . 772 71 71 SER CB C 64.800 0.3 . 773 71 71 SER N N 111.204 0.2 . 774 72 72 SER H H 9.224 0.02 . 775 72 72 SER HA H 4.270 0.02 . 776 72 72 SER HB2 H 3.968 0.02 . 777 72 72 SER HB3 H 3.968 0.02 . 778 72 72 SER C C 174.600 0.3 . 779 72 72 SER CA C 61.500 0.3 . 780 72 72 SER CB C 62.400 0.3 . 781 72 72 SER N N 124.882 0.2 . 782 73 73 SER H H 7.723 0.02 . 783 73 73 SER HA H 4.504 0.02 . 784 73 73 SER HB2 H 3.789 0.02 . 785 73 73 SER HB3 H 3.926 0.02 . 786 73 73 SER C C 174.300 0.3 . 787 73 73 SER CA C 57.700 0.3 . 788 73 73 SER CB C 63.400 0.3 . 789 73 73 SER N N 113.599 0.2 . 790 74 74 ALA H H 7.590 0.02 . 791 74 74 ALA HA H 4.301 0.02 . 792 74 74 ALA HB H 1.385 0.02 . 793 74 74 ALA C C 175.600 0.3 . 794 74 74 ALA CA C 51.800 0.3 . 795 74 74 ALA CB C 21.650 0.3 . 796 74 74 ALA N N 124.800 0.2 . 797 75 75 ARG H H 8.210 0.02 . 798 75 75 ARG HA H 4.431 0.02 . 799 75 75 ARG HB2 H 1.980 0.02 . 800 75 75 ARG HB3 H 1.770 0.02 . 801 75 75 ARG HD2 H 3.230 0.02 . 802 75 75 ARG HD3 H 3.070 0.02 . 803 75 75 ARG HG2 H 1.450 0.02 . 804 75 75 ARG HG3 H 1.270 0.02 . 805 75 75 ARG C C 175.500 0.3 . 806 75 75 ARG CA C 54.650 0.3 . 807 75 75 ARG CB C 30.770 0.3 . 808 75 75 ARG CD C 42.900 0.3 . 809 75 75 ARG CG C 27.100 0.3 . 810 75 75 ARG N N 116.400 0.2 . 811 76 76 VAL H H 7.890 0.02 . 812 76 76 VAL HA H 4.032 0.02 . 813 76 76 VAL HB H 2.056 0.02 . 814 76 76 VAL HG1 H 1.030 0.02 . 815 76 76 VAL HG2 H 0.907 0.02 . 816 76 76 VAL C C 175.010 0.3 . 817 76 76 VAL CA C 62.100 0.3 . 818 76 76 VAL CB C 32.800 0.3 . 819 76 76 VAL CG1 C 21.960 0.3 . 820 76 76 VAL CG2 C 20.400 0.3 . 821 76 76 VAL N N 114.400 0.2 . 822 77 77 LEU H H 8.350 0.02 . 823 77 77 LEU HA H 4.512 0.02 . 824 77 77 LEU HB2 H 1.930 0.02 . 825 77 77 LEU HB3 H 1.580 0.02 . 826 77 77 LEU HD1 H 0.474 0.02 . 827 77 77 LEU HD2 H 0.304 0.02 . 828 77 77 LEU HG H 1.740 0.02 . 829 77 77 LEU C C 178.300 0.3 . 830 77 77 LEU CA C 55.070 0.3 . 831 77 77 LEU CB C 42.100 0.3 . 832 77 77 LEU CD1 C 25.520 0.3 . 833 77 77 LEU CD2 C 22.250 0.3 . 834 77 77 LEU CG C 27.250 0.3 . 835 77 77 LEU N N 124.400 0.2 . 836 78 78 THR H H 10.060 0.02 . 837 78 78 THR HA H 4.401 0.02 . 838 78 78 THR HB H 4.870 0.02 . 839 78 78 THR HG2 H 1.400 0.02 . 840 78 78 THR C C 176.900 0.3 . 841 78 78 THR CA C 60.900 0.3 . 842 78 78 THR CB C 71.100 0.3 . 843 78 78 THR CG2 C 22.090 0.3 . 844 78 78 THR N N 113.000 0.2 . 845 79 79 SER H H 9.263 0.02 . 846 79 79 SER HA H 4.270 0.02 . 847 79 79 SER HB2 H 3.950 0.02 . 848 79 79 SER HB3 H 3.950 0.02 . 849 79 79 SER C C 176.500 0.3 . 850 79 79 SER CA C 61.600 0.3 . 851 79 79 SER CB C 62.200 0.3 . 852 79 79 SER N N 118.800 0.2 . 853 80 80 ALA H H 8.600 0.02 . 854 80 80 ALA HA H 4.130 0.02 . 855 80 80 ALA HB H 1.480 0.02 . 856 80 80 ALA C C 181.800 0.3 . 857 80 80 ALA CA C 55.400 0.3 . 858 80 80 ALA CB C 18.400 0.3 . 859 80 80 ALA N N 122.700 0.2 . 860 81 81 GLU H H 8.232 0.02 . 861 81 81 GLU HA H 4.185 0.02 . 862 81 81 GLU HB2 H 2.660 0.02 . 863 81 81 GLU HB3 H 1.930 0.02 . 864 81 81 GLU HG2 H 2.550 0.02 . 865 81 81 GLU HG3 H 2.890 0.02 . 866 81 81 GLU C C 180.100 0.3 . 867 81 81 GLU CA C 58.770 0.3 . 868 81 81 GLU CB C 31.800 0.3 . 869 81 81 GLU CG C 38.150 0.3 . 870 81 81 GLU N N 119.424 0.2 . 871 82 82 THR H H 8.798 0.02 . 872 82 82 THR HA H 3.635 0.02 . 873 82 82 THR HB H 4.323 0.02 . 874 82 82 THR HG2 H 1.120 0.02 . 875 82 82 THR C C 176.300 0.3 . 876 82 82 THR CA C 67.900 0.3 . 877 82 82 THR CB C 68.010 0.3 . 878 82 82 THR CG2 C 22.474 0.3 . 879 82 82 THR N N 116.782 0.2 . 880 83 83 LYS H H 8.509 0.02 . 881 83 83 LYS HA H 3.913 0.02 . 882 83 83 LYS HB2 H 1.940 0.02 . 883 83 83 LYS HB3 H 1.840 0.02 . 884 83 83 LYS HD2 H 1.620 0.02 . 885 83 83 LYS HD3 H 1.620 0.02 . 886 83 83 LYS HE2 H 2.910 0.02 . 887 83 83 LYS HE3 H 2.910 0.02 . 888 83 83 LYS HG2 H 1.503 0.02 . 889 83 83 LYS HG3 H 1.580 0.02 . 890 83 83 LYS C C 179.600 0.3 . 891 83 83 LYS CA C 59.500 0.3 . 892 83 83 LYS CB C 32.200 0.3 . 893 83 83 LYS CD C 29.001 0.3 . 894 83 83 LYS CE C 42.400 0.3 . 895 83 83 LYS CG C 25.400 0.3 . 896 83 83 LYS N N 120.581 0.2 . 897 84 84 ALA H H 7.789 0.02 . 898 84 84 ALA HA H 4.263 0.02 . 899 84 84 ALA HB H 1.598 0.02 . 900 84 84 ALA C C 180.010 0.3 . 901 84 84 ALA CA C 55.010 0.3 . 902 84 84 ALA CB C 18.160 0.3 . 903 84 84 ALA N N 121.304 0.2 . 904 85 85 PHE H H 8.006 0.02 . 905 85 85 PHE HA H 4.460 0.02 . 906 85 85 PHE HB2 H 3.450 0.02 . 907 85 85 PHE HB3 H 3.450 0.02 . 908 85 85 PHE HD1 H 6.889 0.02 . 909 85 85 PHE HD2 H 6.889 0.02 . 910 85 85 PHE HE1 H 6.320 0.02 . 911 85 85 PHE HE2 H 6.320 0.02 . 912 85 85 PHE C C 177.600 0.3 . 913 85 85 PHE CA C 57.400 0.3 . 914 85 85 PHE CB C 38.900 0.3 . 915 85 85 PHE N N 122.534 0.2 . 916 86 86 LEU H H 8.500 0.02 . 917 86 86 LEU HA H 3.694 0.02 . 918 86 86 LEU HB2 H 1.810 0.02 . 919 86 86 LEU HB3 H 1.370 0.02 . 920 86 86 LEU HD1 H 0.752 0.02 . 921 86 86 LEU HD2 H 0.634 0.02 . 922 86 86 LEU HG H 1.554 0.02 . 923 86 86 LEU C C 177.900 0.3 . 924 86 86 LEU CA C 58.100 0.3 . 925 86 86 LEU CB C 41.950 0.3 . 926 86 86 LEU CD1 C 25.700 0.3 . 927 86 86 LEU CD2 C 23.130 0.3 . 928 86 86 LEU CG C 26.600 0.3 . 929 86 86 LEU N N 119.108 0.2 . 930 87 87 ALA H H 8.144 0.02 . 931 87 87 ALA HA H 4.103 0.02 . 932 87 87 ALA HB H 1.460 0.02 . 933 87 87 ALA C C 179.900 0.3 . 934 87 87 ALA CA C 54.300 0.3 . 935 87 87 ALA CB C 18.200 0.3 . 936 87 87 ALA N N 117.694 0.2 . 937 88 88 ALA H H 7.394 0.02 . 938 88 88 ALA HA H 4.133 0.02 . 939 88 88 ALA HB H 1.374 0.02 . 940 88 88 ALA C C 179.100 0.3 . 941 88 88 ALA CA C 53.800 0.3 . 942 88 88 ALA CB C 19.300 0.3 . 943 88 88 ALA N N 117.367 0.2 . 944 89 89 GLY H H 7.782 0.02 . 945 89 89 GLY HA2 H 4.198 0.02 . 946 89 89 GLY HA3 H 3.213 0.02 . 947 89 89 GLY C C 178.200 0.3 . 948 89 89 GLY CA C 46.200 0.3 . 949 89 89 GLY N N 101.358 0.2 . 950 90 90 ASP H H 8.404 0.02 . 951 90 90 ASP HA H 4.850 0.02 . 952 90 90 ASP HB2 H 2.815 0.02 . 953 90 90 ASP HB3 H 2.320 0.02 . 954 90 90 ASP C C 177.010 0.3 . 955 90 90 ASP CA C 53.300 0.3 . 956 90 90 ASP CB C 39.700 0.3 . 957 90 90 ASP N N 120.040 0.2 . 958 91 91 THR H H 8.831 0.02 . 959 91 91 THR HA H 4.190 0.02 . 960 91 91 THR HB H 4.325 0.02 . 961 91 91 THR HG2 H 1.230 0.02 . 962 91 91 THR C C 176.800 0.3 . 963 91 91 THR CA C 63.400 0.3 . 964 91 91 THR CB C 68.970 0.3 . 965 91 91 THR CG2 C 22.035 0.3 . 966 91 91 THR N N 119.250 0.2 . 967 92 92 ASP H H 8.865 0.02 . 968 92 92 ASP HA H 4.680 0.02 . 969 92 92 ASP HB2 H 2.740 0.02 . 970 92 92 ASP HB3 H 2.660 0.02 . 971 92 92 ASP C C 177.400 0.3 . 972 92 92 ASP CA C 54.380 0.3 . 973 92 92 ASP CB C 39.800 0.3 . 974 92 92 ASP N N 121.275 0.2 . 975 93 93 GLY H H 8.226 0.02 . 976 93 93 GLY HA2 H 3.960 0.02 . 977 93 93 GLY HA3 H 3.845 0.02 . 978 93 93 GLY C C 176.800 0.3 . 979 93 93 GLY CA C 46.900 0.3 . 980 93 93 GLY N N 110.695 0.2 . 981 94 94 ASP H H 8.948 0.02 . 982 94 94 ASP HA H 4.535 0.02 . 983 94 94 ASP HB2 H 2.800 0.02 . 984 94 94 ASP HB3 H 2.390 0.02 . 985 94 94 ASP C C 177.500 0.3 . 986 94 94 ASP CA C 53.100 0.3 . 987 94 94 ASP CB C 40.340 0.3 . 988 94 94 ASP N N 120.996 0.2 . 989 95 95 GLY H H 10.073 0.02 . 990 95 95 GLY HA2 H 3.958 0.02 . 991 95 95 GLY HA3 H 3.508 0.02 . 992 95 95 GLY C C 172.700 0.3 . 993 95 95 GLY CA C 46.300 0.3 . 994 95 95 GLY N N 112.499 0.2 . 995 96 96 LYS H H 7.694 0.02 . 996 96 96 LYS HA H 4.690 0.02 . 997 96 96 LYS HB2 H 1.610 0.02 . 998 96 96 LYS HB3 H 1.465 0.02 . 999 96 96 LYS HD2 H 0.942 0.02 . 1000 96 96 LYS HD3 H 0.736 0.02 . 1001 96 96 LYS HE2 H 3.430 0.02 . 1002 96 96 LYS HE3 H 3.430 0.02 . 1003 96 96 LYS HG2 H 0.910 0.02 . 1004 96 96 LYS HG3 H 0.910 0.02 . 1005 96 96 LYS C C 174.010 0.3 . 1006 96 96 LYS CA C 54.100 0.3 . 1007 96 96 LYS CB C 35.750 0.3 . 1008 96 96 LYS CD C 29.100 0.3 . 1009 96 96 LYS CE C 41.580 0.3 . 1010 96 96 LYS CG C 23.030 0.3 . 1011 96 96 LYS N N 116.366 0.2 . 1012 97 97 ILE H H 8.461 0.02 . 1013 97 97 ILE HA H 4.671 0.02 . 1014 97 97 ILE HB H 1.857 0.02 . 1015 97 97 ILE HD1 H 0.635 0.02 . 1016 97 97 ILE HG12 H 1.440 0.02 . 1017 97 97 ILE HG13 H 0.733 0.02 . 1018 97 97 ILE HG2 H 1.116 0.02 . 1019 97 97 ILE C C 176.400 0.3 . 1020 97 97 ILE CA C 60.100 0.3 . 1021 97 97 ILE CB C 40.100 0.3 . 1022 97 97 ILE CD1 C 13.500 0.3 . 1023 97 97 ILE CG1 C 27.200 0.3 . 1024 97 97 ILE CG2 C 17.600 0.3 . 1025 97 97 ILE N N 118.363 0.2 . 1026 98 98 GLY H H 9.579 0.02 . 1027 98 98 GLY HA2 H 4.880 0.02 . 1028 98 98 GLY HA3 H 3.996 0.02 . 1029 98 98 GLY C C 174.600 0.3 . 1030 98 98 GLY CA C 44.400 0.3 . 1031 98 98 GLY N N 115.847 0.2 . 1032 99 99 VAL H H 8.143 0.02 . 1033 99 99 VAL HA H 2.455 0.02 . 1034 99 99 VAL HB H 1.254 0.02 . 1035 99 99 VAL HG1 H 0.476 0.02 . 1036 99 99 VAL HG2 H 0.673 0.02 . 1037 99 99 VAL C C 177.200 0.3 . 1038 99 99 VAL CA C 65.800 0.3 . 1039 99 99 VAL CB C 30.980 0.3 . 1040 99 99 VAL CG1 C 22.259 0.3 . 1041 99 99 VAL CG2 C 19.700 0.3 . 1042 99 99 VAL N N 120.169 0.2 . 1043 100 100 GLU H H 8.298 0.02 . 1044 100 100 GLU HA H 4.059 0.02 . 1045 100 100 GLU HB2 H 1.975 0.02 . 1046 100 100 GLU HB3 H 1.975 0.02 . 1047 100 100 GLU HG2 H 2.270 0.02 . 1048 100 100 GLU HG3 H 2.270 0.02 . 1049 100 100 GLU C C 180.300 0.3 . 1050 100 100 GLU CA C 59.700 0.3 . 1051 100 100 GLU CB C 28.150 0.3 . 1052 100 100 GLU CG C 36.600 0.3 . 1053 100 100 GLU N N 121.589 0.2 . 1054 101 101 GLU H H 7.996 0.02 . 1055 101 101 GLU HA H 4.103 0.02 . 1056 101 101 GLU HB2 H 2.460 0.02 . 1057 101 101 GLU HB3 H 2.460 0.02 . 1058 101 101 GLU HG2 H 2.670 0.02 . 1059 101 101 GLU HG3 H 2.450 0.02 . 1060 101 101 GLU C C 180.200 0.3 . 1061 101 101 GLU CA C 59.050 0.3 . 1062 101 101 GLU CB C 30.300 0.3 . 1063 101 101 GLU CG C 37.850 0.3 . 1064 101 101 GLU N N 121.301 0.2 . 1065 102 102 PHE H H 8.945 0.02 . 1066 102 102 PHE HA H 4.058 0.02 . 1067 102 102 PHE HB2 H 3.155 0.02 . 1068 102 102 PHE HB3 H 3.155 0.02 . 1069 102 102 PHE HD1 H 7.099 0.02 . 1070 102 102 PHE HD2 H 7.099 0.02 . 1071 102 102 PHE HE1 H 7.307 0.02 . 1072 102 102 PHE HE2 H 7.307 0.02 . 1073 102 102 PHE C C 176.100 0.3 . 1074 102 102 PHE CA C 62.130 0.3 . 1075 102 102 PHE CB C 40.240 0.3 . 1076 102 102 PHE N N 122.386 0.2 . 1077 103 103 GLN H H 8.357 0.02 . 1078 103 103 GLN HA H 3.652 0.02 . 1079 103 103 GLN HB2 H 2.090 0.02 . 1080 103 103 GLN HB3 H 2.230 0.02 . 1081 103 103 GLN HE21 H 6.480 0.02 . 1082 103 103 GLN HE22 H 7.521 0.02 . 1083 103 103 GLN HG2 H 2.260 0.02 . 1084 103 103 GLN HG3 H 2.380 0.02 . 1085 103 103 GLN C C 178.100 0.3 . 1086 103 103 GLN CA C 59.850 0.3 . 1087 103 103 GLN CB C 28.450 0.3 . 1088 103 103 GLN CG C 34.100 0.3 . 1089 103 103 GLN N N 116.956 0.2 . 1090 103 103 GLN NE2 N 112.300 0.2 . 1091 104 104 SER H H 7.820 0.02 . 1092 104 104 SER HA H 4.125 0.02 . 1093 104 104 SER HB2 H 3.910 0.02 . 1094 104 104 SER HB3 H 3.910 0.02 . 1095 104 104 SER C C 176.100 0.3 . 1096 104 104 SER CA C 61.550 0.3 . 1097 104 104 SER CB C 62.860 0.3 . 1098 104 104 SER N N 112.672 0.2 . 1099 105 105 LEU H H 7.759 0.02 . 1100 105 105 LEU HA H 4.159 0.02 . 1101 105 105 LEU HB2 H 1.750 0.02 . 1102 105 105 LEU HB3 H 1.670 0.02 . 1103 105 105 LEU HD1 H 0.555 0.02 . 1104 105 105 LEU HD2 H 0.560 0.02 . 1105 105 105 LEU HG H 1.641 0.02 . 1106 105 105 LEU C C 178.300 0.3 . 1107 105 105 LEU CA C 57.200 0.3 . 1108 105 105 LEU CB C 42.800 0.3 . 1109 105 105 LEU CD1 C 24.340 0.3 . 1110 105 105 LEU CD2 C 24.800 0.3 . 1111 105 105 LEU CG C 26.300 0.3 . 1112 105 105 LEU N N 122.074 0.2 . 1113 106 106 VAL H H 7.506 0.02 . 1114 106 106 VAL HA H 3.250 0.02 . 1115 106 106 VAL HB H 1.619 0.02 . 1116 106 106 VAL HG1 H 0.315 0.02 . 1117 106 106 VAL HG2 H -0.234 0.02 . 1118 106 106 VAL C C 176.600 0.3 . 1119 106 106 VAL CA C 64.700 0.3 . 1120 106 106 VAL CB C 31.600 0.3 . 1121 106 106 VAL CG1 C 22.850 0.3 . 1122 106 106 VAL CG2 C 21.950 0.3 . 1123 106 106 VAL N N 115.531 0.2 . 1124 107 107 LYS H H 7.240 0.02 . 1125 107 107 LYS HA H 4.290 0.02 . 1126 107 107 LYS HB2 H 1.740 0.02 . 1127 107 107 LYS HB3 H 1.950 0.02 . 1128 107 107 LYS HD2 H 1.670 0.02 . 1129 107 107 LYS HD3 H 1.670 0.02 . 1130 107 107 LYS HE2 H 2.960 0.02 . 1131 107 107 LYS HE3 H 2.960 0.02 . 1132 107 107 LYS HG2 H 1.440 0.02 . 1133 107 107 LYS HG3 H 1.485 0.02 . 1134 107 107 LYS C C 175.500 0.3 . 1135 107 107 LYS CA C 55.600 0.3 . 1136 107 107 LYS CB C 32.300 0.3 . 1137 107 107 LYS CD C 28.400 0.3 . 1138 107 107 LYS CE C 42.100 0.3 . 1139 107 107 LYS CG C 24.400 0.3 . 1140 107 107 LYS N N 116.800 0.2 . 1141 108 108 ALA H H 7.560 0.02 . 1142 108 108 ALA HA H 4.054 0.02 . 1143 108 108 ALA HB H 1.480 0.02 . 1144 108 108 ALA C C 183.100 0.3 . 1145 108 108 ALA CA C 54.700 0.3 . 1146 108 108 ALA CB C 19.700 0.3 . 1147 108 108 ALA N N 129.800 0.2 . stop_ save_