data_11208 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the second fn3 domain of Eph receptor A8 protein ; _BMRB_accession_number 11208 _BMRB_flat_file_name bmr11208.str _Entry_type original _Submission_date 2010-07-22 _Accession_date 2010-07-23 _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 Qin X. . . 2 Nagashima T. . . 3 Hayashi F. . . 4 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 616 "13C chemical shifts" 454 "15N chemical shifts" 108 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-21 original author . stop_ _Original_release_date 2011-07-21 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the second fn3 domain of Eph receptor A8 protein' _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 Qin X. . . 2 Nagashima T. . . 3 Hayashi F. . . 4 Yokoyama S. . . stop_ _Journal_abbreviation . _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 'Ephrin type-A receptor 8' _Enzyme_commission_number E.C.2.7.1.112 loop_ _Mol_system_component_name _Mol_label 'fn3 domain of Eph receptor A8 protein' $entity_1 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_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'fn3 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 111 _Mol_residue_sequence ; GSSGSSGQAAPSQVVVIRQE RAGQTSVSLLWQEPEQPNGI ILEYEIKYYEKDKEMQSYST LKAVTTRATVSGLKPGTRYV FQVRARTSAGCGRFSQAMEV ETGKPSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLN 9 ALA 10 ALA 11 PRO 12 SER 13 GLN 14 VAL 15 VAL 16 VAL 17 ILE 18 ARG 19 GLN 20 GLU 21 ARG 22 ALA 23 GLY 24 GLN 25 THR 26 SER 27 VAL 28 SER 29 LEU 30 LEU 31 TRP 32 GLN 33 GLU 34 PRO 35 GLU 36 GLN 37 PRO 38 ASN 39 GLY 40 ILE 41 ILE 42 LEU 43 GLU 44 TYR 45 GLU 46 ILE 47 LYS 48 TYR 49 TYR 50 GLU 51 LYS 52 ASP 53 LYS 54 GLU 55 MET 56 GLN 57 SER 58 TYR 59 SER 60 THR 61 LEU 62 LYS 63 ALA 64 VAL 65 THR 66 THR 67 ARG 68 ALA 69 THR 70 VAL 71 SER 72 GLY 73 LEU 74 LYS 75 PRO 76 GLY 77 THR 78 ARG 79 TYR 80 VAL 81 PHE 82 GLN 83 VAL 84 ARG 85 ALA 86 ARG 87 THR 88 SER 89 ALA 90 GLY 91 CYS 92 GLY 93 ARG 94 PHE 95 SER 96 GLN 97 ALA 98 MET 99 GLU 100 VAL 101 GLU 102 THR 103 GLY 104 LYS 105 PRO 106 SER 107 GLY 108 PRO 109 SER 110 SER 111 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-10-05 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 1X5L "Solution Structure Of The Second Fn3 Domain Of Eph Receptor A8 Protein" 100.00 111 100.00 100.00 2.45e-72 DBJ BAA95983 "KIAA1459 protein [Homo sapiens]" 90.99 853 97.03 99.01 6.34e-58 DBJ BAD90254 "mKIAA1459 protein [Mus musculus]" 90.99 855 97.03 99.01 5.90e-58 DBJ BAI45300 "EPH receptor A8 [synthetic construct]" 90.99 1005 97.03 99.01 1.27e-57 GB AAB39218 "Eph-and Elk-related kinase [Mus musculus]" 90.99 1004 97.03 99.01 1.17e-57 GB AAI41437 "EPH receptor A8, partial [synthetic construct]" 90.99 1005 97.03 99.01 1.27e-57 GB AAI67187 "Eph receptor A8 [synthetic construct]" 90.99 1004 97.03 99.01 1.15e-57 GB EAW95013 "EPH receptor A8 [Homo sapiens]" 90.99 1005 97.03 99.01 1.27e-57 GB EDL29925 "Eph receptor A8 [Mus musculus]" 90.99 930 97.03 99.01 6.33e-58 REF NP_031965 "ephrin type-A receptor 8 precursor [Mus musculus]" 90.99 1004 97.03 99.01 1.15e-57 REF NP_065387 "ephrin type-A receptor 8 isoform 1 precursor [Homo sapiens]" 90.99 1005 97.03 99.01 1.27e-57 REF XP_001101560 "PREDICTED: ephrin type-A receptor 8-like [Macaca mulatta]" 90.99 1005 97.03 99.01 1.64e-57 REF XP_001501554 "PREDICTED: ephrin type-A receptor 8 [Equus caballus]" 90.99 1025 97.03 99.01 2.33e-57 REF XP_002685829 "PREDICTED: ephrin type-A receptor 8 [Bos taurus]" 90.99 1000 97.03 99.01 1.74e-57 SP O09127 "RecName: Full=Ephrin type-A receptor 8; AltName: Full=EPH- and ELK-related kinase; AltName: Full=Tyrosine-protein kinase recept" 90.99 1004 97.03 99.01 1.15e-57 SP P29322 "RecName: Full=Ephrin type-A receptor 8; AltName: Full=EPH- and ELK-related kinase; AltName: Full=EPH-like kinase 3; Short=EK3; " 90.99 1005 97.03 99.01 1.27e-57 TPG DAA32242 "TPA: EPH receptor A8 [Bos taurus]" 90.99 1000 97.03 99.01 1.74e-57 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid p040705-14 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.42mM 13C, 15N-labeled {protein;} 20mM {d-Tris-HCl;} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.42 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Saveframe_category software _Name VNMR _Version 6.1C loop_ _Vendor _Address _Electronic_address Varian . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20031121 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.9296 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_condition_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 120 0.1 mM pH 7.0 0.05 pH pressure 1 0.001 atm temperature 298 0.1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_reference_1 _Saveframe_category chemical_shift_reference _Details ; Chemical shift reference of 1H was based on the proton of water (4.784ppm at 298K) and then those of 15N and 13C were calculated based on their gyromagnetic ratios. ; 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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $VNMR $NMRPipe $NMRView $Kujira $CYANA stop_ loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'fn3 domain of Eph receptor A8 protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 7 7 GLY H H 8.383 0.030 1 2 7 7 GLY HA2 H 3.966 0.030 1 3 7 7 GLY HA3 H 3.966 0.030 1 4 7 7 GLY C C 173.939 0.300 1 5 7 7 GLY CA C 45.346 0.300 1 6 7 7 GLY N N 121.319 0.300 1 7 8 8 GLN H H 8.140 0.030 1 8 8 8 GLN HA H 4.339 0.030 1 9 8 8 GLN HB2 H 2.052 0.030 2 10 8 8 GLN HB3 H 1.926 0.030 2 11 8 8 GLN HE21 H 7.493 0.030 1 12 8 8 GLN HE22 H 7.493 0.030 1 13 8 8 GLN HG2 H 2.360 0.030 1 14 8 8 GLN HG3 H 2.360 0.030 1 15 8 8 GLN C C 175.156 0.300 1 16 8 8 GLN CA C 55.521 0.300 1 17 8 8 GLN CB C 29.818 0.300 1 18 8 8 GLN CG C 33.846 0.300 1 19 8 8 GLN N N 120.000 0.300 1 20 8 8 GLN NE2 N 112.002 0.300 1 21 9 9 ALA H H 8.306 0.030 1 22 9 9 ALA HA H 4.320 0.030 1 23 9 9 ALA HB H 1.309 0.030 1 24 9 9 ALA C C 176.139 0.300 1 25 9 9 ALA CA C 51.766 0.300 1 26 9 9 ALA CB C 19.991 0.300 1 27 9 9 ALA N N 125.559 0.300 1 28 10 10 ALA H H 8.113 0.030 1 29 10 10 ALA HA H 4.074 0.030 1 30 10 10 ALA HB H 1.195 0.030 1 31 10 10 ALA C C 174.740 0.300 1 32 10 10 ALA CA C 50.491 0.300 1 33 10 10 ALA CB C 17.560 0.300 1 34 10 10 ALA N N 123.274 0.300 1 35 11 11 PRO HA H 4.631 0.030 1 36 11 11 PRO HB2 H 2.387 0.030 2 37 11 11 PRO HB3 H 1.817 0.030 2 38 11 11 PRO HD2 H 3.719 0.030 2 39 11 11 PRO HD3 H 3.302 0.030 2 40 11 11 PRO HG2 H 1.873 0.030 2 41 11 11 PRO HG3 H 1.797 0.030 2 42 11 11 PRO C C 175.951 0.300 1 43 11 11 PRO CA C 62.720 0.300 1 44 11 11 PRO CB C 32.188 0.300 1 45 11 11 PRO CD C 49.457 0.300 1 46 11 11 PRO CG C 27.677 0.300 1 47 12 12 SER H H 7.989 0.030 1 48 12 12 SER HA H 4.299 0.030 1 49 12 12 SER HB2 H 4.019 0.030 1 50 12 12 SER HB3 H 4.019 0.030 1 51 12 12 SER C C 172.588 0.300 1 52 12 12 SER CA C 58.619 0.300 1 53 12 12 SER CB C 63.683 0.300 1 54 12 12 SER N N 114.075 0.300 1 55 13 13 GLN H H 8.202 0.030 1 56 13 13 GLN HA H 4.079 0.030 1 57 13 13 GLN HB2 H 2.056 0.030 2 58 13 13 GLN HB3 H 1.832 0.030 2 59 13 13 GLN HE21 H 7.046 0.030 2 60 13 13 GLN HE22 H 7.726 0.030 2 61 13 13 GLN HG2 H 2.422 0.030 2 62 13 13 GLN HG3 H 2.184 0.030 2 63 13 13 GLN C C 176.379 0.300 1 64 13 13 GLN CA C 56.232 0.300 1 65 13 13 GLN CB C 30.731 0.300 1 66 13 13 GLN CG C 33.551 0.300 1 67 13 13 GLN N N 117.986 0.300 1 68 13 13 GLN NE2 N 112.008 0.300 1 69 14 14 VAL H H 8.236 0.030 1 70 14 14 VAL HA H 3.953 0.030 1 71 14 14 VAL HB H 1.916 0.030 1 72 14 14 VAL HG1 H 0.965 0.030 1 73 14 14 VAL HG2 H 1.102 0.030 1 74 14 14 VAL C C 175.347 0.300 1 75 14 14 VAL CA C 64.521 0.300 1 76 14 14 VAL CB C 32.084 0.300 1 77 14 14 VAL CG1 C 21.611 0.300 2 78 14 14 VAL CG2 C 21.542 0.300 2 79 15 15 VAL H H 8.893 0.030 1 80 15 15 VAL HA H 4.374 0.030 1 81 15 15 VAL HB H 2.242 0.030 1 82 15 15 VAL HG1 H 0.948 0.030 1 83 15 15 VAL HG2 H 0.971 0.030 1 84 15 15 VAL C C 175.761 0.300 1 85 15 15 VAL CA C 62.500 0.300 1 86 15 15 VAL CB C 33.817 0.300 1 87 15 15 VAL CG1 C 21.737 0.300 2 88 15 15 VAL CG2 C 19.464 0.300 2 89 15 15 VAL N N 123.460 0.300 1 90 16 16 VAL H H 7.931 0.030 1 91 16 16 VAL HA H 4.291 0.030 1 92 16 16 VAL HB H 1.870 0.030 1 93 16 16 VAL HG1 H 0.934 0.030 1 94 16 16 VAL HG2 H 0.849 0.030 1 95 16 16 VAL C C 173.439 0.300 1 96 16 16 VAL CA C 62.550 0.300 1 97 16 16 VAL CB C 33.360 0.300 1 98 16 16 VAL CG1 C 20.871 0.300 2 99 16 16 VAL CG2 C 20.775 0.300 2 100 16 16 VAL N N 123.492 0.300 1 101 17 17 ILE H H 8.096 0.030 1 102 17 17 ILE HA H 4.946 0.030 1 103 17 17 ILE HB H 1.733 0.030 1 104 17 17 ILE HD1 H 0.791 0.030 1 105 17 17 ILE HG12 H 1.022 0.030 2 106 17 17 ILE HG13 H 1.640 0.030 2 107 17 17 ILE HG2 H 0.955 0.030 1 108 17 17 ILE C C 173.554 0.300 1 109 17 17 ILE CA C 59.989 0.300 1 110 17 17 ILE CB C 40.920 0.300 1 111 17 17 ILE CD1 C 14.752 0.300 1 112 17 17 ILE CG1 C 28.395 0.300 1 113 17 17 ILE CG2 C 16.240 0.300 1 114 17 17 ILE N N 124.112 0.300 1 115 18 18 ARG H H 9.373 0.030 1 116 18 18 ARG HA H 4.787 0.030 1 117 18 18 ARG HB2 H 1.801 0.030 2 118 18 18 ARG HB3 H 1.628 0.030 2 119 18 18 ARG HD2 H 3.142 0.030 2 120 18 18 ARG HD3 H 3.101 0.030 2 121 18 18 ARG HG2 H 1.511 0.030 2 122 18 18 ARG HG3 H 1.366 0.030 2 123 18 18 ARG C C 174.239 0.300 1 124 18 18 ARG CA C 54.275 0.300 1 125 18 18 ARG CB C 33.998 0.300 1 126 18 18 ARG CD C 43.427 0.300 1 127 18 18 ARG CG C 26.890 0.300 1 128 18 18 ARG N N 123.925 0.300 1 129 19 19 GLN H H 8.727 0.030 1 130 19 19 GLN HA H 4.596 0.030 1 131 19 19 GLN HB2 H 1.933 0.030 2 132 19 19 GLN HB3 H 1.843 0.030 2 133 19 19 GLN HE21 H 6.791 0.030 2 134 19 19 GLN HE22 H 7.107 0.030 2 135 19 19 GLN HG2 H 2.122 0.030 2 136 19 19 GLN HG3 H 2.065 0.030 2 137 19 19 GLN C C 175.014 0.300 1 138 19 19 GLN CA C 54.656 0.300 1 139 19 19 GLN CB C 29.855 0.300 1 140 19 19 GLN CG C 33.383 0.300 1 141 19 19 GLN N N 119.969 0.300 1 142 19 19 GLN NE2 N 109.866 0.300 1 143 20 20 GLU H H 8.856 0.030 1 144 20 20 GLU HA H 4.337 0.030 1 145 20 20 GLU HB2 H 1.785 0.030 2 146 20 20 GLU HB3 H 1.664 0.030 2 147 20 20 GLU HG2 H 1.952 0.030 2 148 20 20 GLU HG3 H 2.050 0.030 2 149 20 20 GLU C C 175.990 0.300 1 150 20 20 GLU CA C 57.159 0.300 1 151 20 20 GLU CB C 31.382 0.300 1 152 20 20 GLU CG C 36.790 0.300 1 153 20 20 GLU N N 125.650 0.300 1 154 21 21 ARG H H 7.707 0.030 1 155 21 21 ARG HA H 4.409 0.030 1 156 21 21 ARG HB2 H 1.829 0.030 2 157 21 21 ARG HB3 H 1.735 0.030 2 158 21 21 ARG HD2 H 3.132 0.030 1 159 21 21 ARG HD3 H 3.132 0.030 1 160 21 21 ARG HG2 H 1.458 0.030 1 161 21 21 ARG HG3 H 1.458 0.030 1 162 21 21 ARG C C 173.868 0.300 1 163 21 21 ARG CA C 56.094 0.300 1 164 21 21 ARG CB C 32.460 0.300 1 165 21 21 ARG CD C 43.107 0.300 1 166 21 21 ARG CG C 26.794 0.300 1 167 21 21 ARG N N 115.574 0.300 1 168 22 22 ALA H H 8.658 0.030 1 169 22 22 ALA HA H 4.799 0.030 1 170 22 22 ALA HB H 1.384 0.030 1 171 22 22 ALA C C 176.763 0.300 1 172 22 22 ALA CA C 52.176 0.300 1 173 22 22 ALA CB C 20.651 0.300 1 174 22 22 ALA N N 125.911 0.300 1 175 23 23 GLY H H 8.465 0.030 1 176 23 23 GLY HA2 H 4.606 0.030 2 177 23 23 GLY HA3 H 3.811 0.030 2 178 23 23 GLY C C 173.914 0.300 1 179 23 23 GLY CA C 43.715 0.300 1 180 23 23 GLY N N 111.943 0.300 1 181 24 24 GLN H H 8.544 0.030 1 182 24 24 GLN HA H 4.275 0.030 1 183 24 24 GLN HB2 H 2.052 0.030 1 184 24 24 GLN HB3 H 2.052 0.030 1 185 24 24 GLN HE21 H 6.908 0.030 2 186 24 24 GLN HE22 H 7.484 0.030 2 187 24 24 GLN HG2 H 2.415 0.030 2 188 24 24 GLN HG3 H 2.167 0.030 2 189 24 24 GLN C C 175.641 0.300 1 190 24 24 GLN CA C 59.045 0.300 1 191 24 24 GLN CB C 29.899 0.300 1 192 24 24 GLN CG C 34.666 0.300 1 193 24 24 GLN N N 119.511 0.300 1 194 24 24 GLN NE2 N 111.703 0.300 1 195 25 25 THR H H 7.725 0.030 1 196 25 25 THR HA H 4.585 0.030 1 197 25 25 THR HB H 4.742 0.030 1 198 25 25 THR HG2 H 1.120 0.030 1 199 25 25 THR C C 174.099 0.300 1 200 25 25 THR CA C 59.224 0.300 1 201 25 25 THR CB C 70.701 0.300 1 202 25 25 THR CG2 C 21.233 0.300 1 203 25 25 THR N N 141.606 0.300 1 204 26 26 SER H H 7.118 0.030 1 205 26 26 SER HA H 5.467 0.030 1 206 26 26 SER HB2 H 3.676 0.030 2 207 26 26 SER HB3 H 3.510 0.030 2 208 26 26 SER C C 172.017 0.300 1 209 26 26 SER CA C 56.286 0.300 1 210 26 26 SER CB C 66.737 0.300 1 211 26 26 SER N N 113.148 0.300 1 212 27 27 VAL H H 8.361 0.030 1 213 27 27 VAL HA H 4.400 0.030 1 214 27 27 VAL HB H 1.431 0.030 1 215 27 27 VAL HG1 H 0.657 0.030 1 216 27 27 VAL HG2 H 0.395 0.030 1 217 27 27 VAL C C 173.790 0.300 1 218 27 27 VAL CA C 61.250 0.300 1 219 27 27 VAL CB C 36.368 0.300 1 220 27 27 VAL CG1 C 21.630 0.300 2 221 27 27 VAL CG2 C 20.770 0.300 2 222 27 27 VAL N N 118.210 0.300 1 223 28 28 SER H H 8.730 0.030 1 224 28 28 SER HA H 5.336 0.030 1 225 28 28 SER HB2 H 4.095 0.030 2 226 28 28 SER HB3 H 3.578 0.030 2 227 28 28 SER C C 172.961 0.300 1 228 28 28 SER CA C 57.447 0.300 1 229 28 28 SER CB C 63.788 0.300 1 230 28 28 SER N N 121.961 0.300 1 231 29 29 LEU H H 9.112 0.030 1 232 29 29 LEU HA H 5.055 0.030 1 233 29 29 LEU HB2 H 1.816 0.030 2 234 29 29 LEU HB3 H 1.426 0.030 2 235 29 29 LEU HD1 H 0.285 0.030 1 236 29 29 LEU HD2 H 0.328 0.030 1 237 29 29 LEU HG H 1.256 0.030 1 238 29 29 LEU C C 175.171 0.300 1 239 29 29 LEU CA C 53.669 0.300 1 240 29 29 LEU CB C 46.744 0.300 1 241 29 29 LEU CD1 C 23.448 0.300 2 242 29 29 LEU CD2 C 25.539 0.300 2 243 29 29 LEU CG C 26.829 0.300 1 244 29 29 LEU N N 125.870 0.300 1 245 30 30 LEU H H 8.814 0.030 1 246 30 30 LEU HA H 4.742 0.030 1 247 30 30 LEU HB2 H 1.420 0.030 1 248 30 30 LEU HB3 H 1.420 0.030 1 249 30 30 LEU HD1 H 0.665 0.030 1 250 30 30 LEU HD2 H 0.665 0.030 1 251 30 30 LEU HG H 1.356 0.030 1 252 30 30 LEU C C 174.464 0.300 1 253 30 30 LEU CA C 54.739 0.300 1 254 30 30 LEU CB C 45.952 0.300 1 255 30 30 LEU CD1 C 25.399 0.300 2 256 30 30 LEU CD2 C 24.910 0.300 2 257 30 30 LEU CG C 27.053 0.300 1 258 30 30 LEU N N 122.082 0.300 1 259 31 31 TRP H H 7.946 0.030 1 260 31 31 TRP HA H 5.326 0.030 1 261 31 31 TRP HB2 H 3.372 0.030 2 262 31 31 TRP HB3 H 3.269 0.030 2 263 31 31 TRP HD1 H 6.448 0.030 1 264 31 31 TRP HE1 H 5.611 0.030 1 265 31 31 TRP HE3 H 6.825 0.030 1 266 31 31 TRP HH2 H 6.546 0.030 1 267 31 31 TRP HZ2 H 7.006 0.030 1 268 31 31 TRP HZ3 H 6.524 0.030 1 269 31 31 TRP C C 173.483 0.300 1 270 31 31 TRP CA C 56.296 0.300 1 271 31 31 TRP CB C 31.150 0.300 1 272 31 31 TRP CD1 C 124.765 0.300 1 273 31 31 TRP CE3 C 119.256 0.300 1 274 31 31 TRP CH2 C 123.531 0.300 1 275 31 31 TRP CZ2 C 115.474 0.300 1 276 31 31 TRP CZ3 C 120.777 0.300 1 277 31 31 TRP N N 120.738 0.300 1 278 31 31 TRP NE1 N 123.997 0.300 1 279 32 32 GLN H H 7.717 0.030 1 280 32 32 GLN HA H 4.674 0.030 1 281 32 32 GLN HB2 H 2.213 0.030 2 282 32 32 GLN HB3 H 1.966 0.030 2 283 32 32 GLN HE21 H 6.910 0.030 2 284 32 32 GLN HE22 H 7.555 0.030 2 285 32 32 GLN HG2 H 2.477 0.030 2 286 32 32 GLN HG3 H 2.325 0.030 2 287 32 32 GLN C C 176.053 0.300 1 288 32 32 GLN CA C 53.707 0.300 1 289 32 32 GLN CB C 31.421 0.300 1 290 32 32 GLN CG C 34.327 0.300 1 291 32 32 GLN N N 115.368 0.300 1 292 32 32 GLN NE2 N 111.450 0.300 1 293 33 33 GLU H H 9.023 0.030 1 294 33 33 GLU HA H 4.684 0.030 1 295 33 33 GLU HB2 H 2.055 0.030 2 296 33 33 GLU HB3 H 2.012 0.030 2 297 33 33 GLU HG2 H 2.519 0.030 2 298 33 33 GLU HG3 H 2.402 0.030 2 299 33 33 GLU C C 174.308 0.300 1 300 33 33 GLU CA C 55.199 0.300 1 301 33 33 GLU CB C 30.055 0.300 1 302 33 33 GLU CG C 36.353 0.300 1 303 33 33 GLU N N 124.787 0.300 1 304 34 34 PRO HA H 4.242 0.030 1 305 34 34 PRO HB2 H 2.345 0.030 2 306 34 34 PRO HB3 H 1.452 0.030 2 307 34 34 PRO HD2 H 3.774 0.030 2 308 34 34 PRO HD3 H 4.078 0.030 2 309 34 34 PRO HG2 H 1.808 0.030 2 310 34 34 PRO HG3 H 1.865 0.030 2 311 34 34 PRO C C 175.151 0.300 1 312 34 34 PRO CA C 62.923 0.300 1 313 34 34 PRO CB C 33.121 0.300 1 314 34 34 PRO CD C 50.954 0.300 1 315 34 34 PRO CG C 28.193 0.300 1 316 35 35 GLU H H 8.507 0.030 1 317 35 35 GLU HA H 3.988 0.030 1 318 35 35 GLU HB2 H 2.067 0.030 2 319 35 35 GLU HB3 H 1.999 0.030 2 320 35 35 GLU HG2 H 2.460 0.030 2 321 35 35 GLU HG3 H 2.314 0.030 2 322 35 35 GLU C C 176.868 0.300 1 323 35 35 GLU CA C 58.874 0.300 1 324 35 35 GLU CB C 30.270 0.300 1 325 35 35 GLU CG C 36.811 0.300 1 326 35 35 GLU N N 121.036 0.300 1 327 36 36 GLN H H 8.084 0.030 1 328 36 36 GLN HA H 4.850 0.030 1 329 36 36 GLN HB2 H 1.957 0.030 2 330 36 36 GLN HB3 H 2.007 0.030 2 331 36 36 GLN HE21 H 6.823 0.030 2 332 36 36 GLN HE22 H 7.578 0.030 2 333 36 36 GLN HG2 H 2.320 0.030 2 334 36 36 GLN HG3 H 2.259 0.030 2 335 36 36 GLN C C 172.633 0.300 1 336 36 36 GLN CA C 52.319 0.300 1 337 36 36 GLN CB C 28.961 0.300 1 338 36 36 GLN CG C 33.402 0.300 1 339 36 36 GLN N N 115.201 0.300 1 340 36 36 GLN NE2 N 112.172 0.300 1 341 37 37 PRO HA H 3.986 0.030 1 342 37 37 PRO HB2 H 2.061 0.030 2 343 37 37 PRO HB3 H 2.303 0.030 2 344 37 37 PRO HD2 H 3.760 0.030 2 345 37 37 PRO HD3 H 3.558 0.030 2 346 37 37 PRO HG2 H 2.199 0.030 2 347 37 37 PRO HG3 H 1.991 0.030 2 348 37 37 PRO CA C 64.361 0.300 1 349 37 37 PRO CB C 31.996 0.300 1 350 37 37 PRO CD C 50.293 0.300 1 351 37 37 PRO CG C 27.447 0.300 1 352 38 38 ASN H H 8.380 0.030 1 353 38 38 ASN HA H 4.247 0.030 1 354 38 38 ASN HB2 H 2.806 0.030 2 355 38 38 ASN HB3 H 2.472 0.030 2 356 38 38 ASN HD21 H 6.972 0.030 2 357 38 38 ASN HD22 H 7.339 0.030 2 358 38 38 ASN C C 173.563 0.300 1 359 38 38 ASN CA C 53.910 0.300 1 360 38 38 ASN CB C 37.237 0.300 1 361 38 38 ASN N N 109.219 0.300 1 362 38 38 ASN ND2 N 115.865 0.300 1 363 39 39 GLY H H 7.455 0.030 1 364 39 39 GLY HA2 H 4.239 0.030 2 365 39 39 GLY HA3 H 3.794 0.030 2 366 39 39 GLY C C 171.933 0.300 1 367 39 39 GLY CA C 44.109 0.300 1 368 39 39 GLY N N 104.528 0.300 1 369 40 40 ILE H H 8.168 0.030 1 370 40 40 ILE HA H 4.054 0.030 1 371 40 40 ILE HB H 1.728 0.030 1 372 40 40 ILE HD1 H 0.859 0.030 1 373 40 40 ILE HG12 H 1.545 0.030 2 374 40 40 ILE HG13 H 1.201 0.030 2 375 40 40 ILE HG2 H 0.831 0.030 1 376 40 40 ILE C C 176.689 0.300 1 377 40 40 ILE CA C 60.281 0.300 1 378 40 40 ILE CB C 38.786 0.300 1 379 40 40 ILE CD1 C 12.328 0.300 1 380 40 40 ILE CG1 C 27.543 0.300 1 381 40 40 ILE CG2 C 17.063 0.300 1 382 40 40 ILE N N 120.028 0.300 1 383 41 41 ILE H H 8.779 0.030 1 384 41 41 ILE HA H 3.686 0.030 1 385 41 41 ILE HB H 1.810 0.030 1 386 41 41 ILE HD1 H 0.834 0.030 1 387 41 41 ILE HG12 H 1.661 0.030 2 388 41 41 ILE HG13 H 0.864 0.030 2 389 41 41 ILE HG2 H 0.383 0.030 1 390 41 41 ILE C C 175.811 0.300 1 391 41 41 ILE CA C 62.305 0.300 1 392 41 41 ILE CB C 36.896 0.300 1 393 41 41 ILE CD1 C 13.212 0.300 1 394 41 41 ILE CG1 C 28.547 0.300 1 395 41 41 ILE CG2 C 17.145 0.300 1 396 41 41 ILE N N 128.245 0.300 1 397 42 42 LEU H H 8.917 0.030 1 398 42 42 LEU HA H 4.280 0.030 1 399 42 42 LEU HB2 H 1.477 0.030 2 400 42 42 LEU HB3 H 1.398 0.030 2 401 42 42 LEU HD1 H 0.743 0.030 1 402 42 42 LEU HD2 H 0.813 0.030 1 403 42 42 LEU HG H 1.724 0.030 1 404 42 42 LEU C C 177.254 0.300 1 405 42 42 LEU CA C 55.919 0.300 1 406 42 42 LEU CB C 43.502 0.300 1 407 42 42 LEU CD1 C 25.380 0.300 2 408 42 42 LEU CD2 C 21.992 0.300 2 409 42 42 LEU CG C 27.095 0.300 1 410 42 42 LEU N N 129.747 0.300 1 411 43 43 GLU H H 7.480 0.030 1 412 43 43 GLU HA H 4.629 0.030 1 413 43 43 GLU HB2 H 2.363 0.030 2 414 43 43 GLU HB3 H 1.944 0.030 2 415 43 43 GLU HG2 H 1.899 0.030 2 416 43 43 GLU HG3 H 2.052 0.030 2 417 43 43 GLU C C 172.165 0.300 1 418 43 43 GLU CA C 54.730 0.300 1 419 43 43 GLU CB C 31.847 0.300 1 420 43 43 GLU CG C 34.921 0.300 1 421 43 43 GLU N N 112.151 0.300 1 422 44 44 TYR H H 9.440 0.030 1 423 44 44 TYR HA H 5.293 0.030 1 424 44 44 TYR HB2 H 2.958 0.030 2 425 44 44 TYR HB3 H 2.703 0.030 2 426 44 44 TYR HD1 H 7.139 0.030 3 427 44 44 TYR HD2 H 6.700 0.030 3 428 44 44 TYR HE1 H 6.619 0.030 3 429 44 44 TYR HE2 H 6.662 0.030 3 430 44 44 TYR C C 174.570 0.300 1 431 44 44 TYR CA C 56.659 0.300 1 432 44 44 TYR CB C 41.865 0.300 1 433 44 44 TYR CD1 C 135.946 0.300 3 434 44 44 TYR CD2 C 132.567 0.300 3 435 44 44 TYR CE1 C 116.871 0.300 1 436 44 44 TYR CE2 C 116.871 0.300 1 437 44 44 TYR N N 116.207 0.300 1 438 45 45 GLU H H 9.189 0.030 1 439 45 45 GLU HA H 5.028 0.030 1 440 45 45 GLU HB2 H 1.951 0.030 2 441 45 45 GLU HB3 H 1.834 0.030 2 442 45 45 GLU HG2 H 2.168 0.030 2 443 45 45 GLU HG3 H 2.086 0.030 2 444 45 45 GLU C C 174.468 0.300 1 445 45 45 GLU CA C 54.847 0.300 1 446 45 45 GLU CB C 33.637 0.300 1 447 45 45 GLU CG C 36.822 0.300 1 448 45 45 GLU N N 120.734 0.300 1 449 46 46 ILE H H 9.480 0.030 1 450 46 46 ILE HA H 4.923 0.030 1 451 46 46 ILE HB H 2.015 0.030 1 452 46 46 ILE HD1 H 0.787 0.030 1 453 46 46 ILE HG12 H 1.320 0.030 2 454 46 46 ILE HG13 H 0.647 0.030 2 455 46 46 ILE HG2 H 0.925 0.030 1 456 46 46 ILE C C 174.745 0.300 1 457 46 46 ILE CA C 60.225 0.300 1 458 46 46 ILE CB C 39.746 0.300 1 459 46 46 ILE CD1 C 15.689 0.300 1 460 46 46 ILE CG1 C 28.480 0.300 1 461 46 46 ILE CG2 C 18.748 0.300 1 462 46 46 ILE N N 126.476 0.300 1 463 47 47 LYS H H 9.273 0.030 1 464 47 47 LYS HA H 5.399 0.030 1 465 47 47 LYS HB2 H 1.491 0.030 2 466 47 47 LYS HB3 H 1.085 0.030 2 467 47 47 LYS HD2 H 0.836 0.030 2 468 47 47 LYS HD3 H 0.711 0.030 2 469 47 47 LYS HE2 H 1.748 0.030 2 470 47 47 LYS HE3 H 1.606 0.030 2 471 47 47 LYS HG2 H 0.845 0.030 2 472 47 47 LYS HG3 H 1.147 0.030 2 473 47 47 LYS C C 174.796 0.300 1 474 47 47 LYS CA C 54.243 0.300 1 475 47 47 LYS CB C 36.300 0.300 1 476 47 47 LYS CD C 29.530 0.300 1 477 47 47 LYS CE C 40.985 0.300 1 478 47 47 LYS CG C 25.270 0.300 1 479 47 47 LYS N N 129.075 0.300 1 480 48 48 TYR H H 8.944 0.030 1 481 48 48 TYR HA H 5.791 0.030 1 482 48 48 TYR HB2 H 2.554 0.030 2 483 48 48 TYR HB3 H 1.889 0.030 2 484 48 48 TYR HD1 H 6.589 0.030 1 485 48 48 TYR HD2 H 6.589 0.030 1 486 48 48 TYR HE1 H 6.501 0.030 1 487 48 48 TYR HE2 H 6.501 0.030 1 488 48 48 TYR C C 173.813 0.300 1 489 48 48 TYR CA C 55.167 0.300 1 490 48 48 TYR CB C 42.924 0.300 1 491 48 48 TYR CD1 C 132.916 0.300 1 492 48 48 TYR CD2 C 132.916 0.300 1 493 48 48 TYR CE1 C 118.142 0.300 1 494 48 48 TYR CE2 C 118.142 0.300 1 495 48 48 TYR N N 122.556 0.300 1 496 49 49 TYR H H 7.796 0.030 1 497 49 49 TYR HA H 4.883 0.030 1 498 49 49 TYR HB2 H 3.228 0.030 2 499 49 49 TYR HB3 H 2.946 0.030 2 500 49 49 TYR HD1 H 6.661 0.030 1 501 49 49 TYR HD2 H 6.661 0.030 1 502 49 49 TYR HE1 H 6.511 0.030 1 503 49 49 TYR HE2 H 6.511 0.030 1 504 49 49 TYR C C 173.901 0.300 1 505 49 49 TYR CA C 55.150 0.300 1 506 49 49 TYR CB C 39.262 0.300 1 507 49 49 TYR CD1 C 133.965 0.300 1 508 49 49 TYR CD2 C 133.965 0.300 1 509 49 49 TYR CE1 C 117.139 0.300 1 510 49 49 TYR CE2 C 117.139 0.300 1 511 49 49 TYR N N 113.659 0.300 1 512 50 50 GLU H H 9.007 0.030 1 513 50 50 GLU HA H 3.847 0.030 1 514 50 50 GLU HB2 H 1.850 0.030 2 515 50 50 GLU HB3 H 1.746 0.030 2 516 50 50 GLU HG2 H 2.050 0.030 2 517 50 50 GLU HG3 H 1.810 0.030 2 518 50 50 GLU C C 176.407 0.300 1 519 50 50 GLU CA C 56.254 0.300 1 520 50 50 GLU CB C 29.838 0.300 1 521 50 50 GLU CG C 36.716 0.300 1 522 50 50 GLU N N 122.047 0.300 1 523 51 51 LYS H H 8.242 0.030 1 524 51 51 LYS HA H 3.778 0.030 1 525 51 51 LYS HB2 H 1.687 0.030 2 526 51 51 LYS HB3 H 1.191 0.030 2 527 51 51 LYS HD2 H 1.496 0.030 2 528 51 51 LYS HD3 H 1.422 0.030 2 529 51 51 LYS HE2 H 2.957 0.030 1 530 51 51 LYS HE3 H 2.957 0.030 1 531 51 51 LYS HG2 H 1.337 0.030 2 532 51 51 LYS HG3 H 1.257 0.030 2 533 51 51 LYS C C 176.556 0.300 1 534 51 51 LYS CA C 58.853 0.300 1 535 51 51 LYS CB C 33.264 0.300 1 536 51 51 LYS CD C 29.558 0.300 1 537 51 51 LYS CE C 42.197 0.300 1 538 51 51 LYS CG C 24.853 0.300 1 539 51 51 LYS N N 126.564 0.300 1 540 52 52 ASP H H 8.881 0.030 1 541 52 52 ASP HA H 4.530 0.030 1 542 52 52 ASP HB2 H 2.877 0.030 1 543 52 52 ASP HB3 H 2.877 0.030 1 544 52 52 ASP C C 176.303 0.300 1 545 52 52 ASP CA C 56.254 0.300 1 546 52 52 ASP CB C 39.901 0.300 1 547 52 52 ASP N N 117.774 0.300 1 548 53 53 LYS H H 8.057 0.030 1 549 53 53 LYS HA H 4.658 0.030 1 550 53 53 LYS HB2 H 2.024 0.030 2 551 53 53 LYS HB3 H 1.734 0.030 2 552 53 53 LYS HD2 H 1.638 0.030 2 553 53 53 LYS HD3 H 1.537 0.030 2 554 53 53 LYS HE2 H 2.954 0.030 1 555 53 53 LYS HE3 H 2.954 0.030 1 556 53 53 LYS HG2 H 1.358 0.030 2 557 53 53 LYS HG3 H 1.250 0.030 2 558 53 53 LYS C C 177.089 0.300 1 559 53 53 LYS CA C 55.074 0.300 1 560 53 53 LYS CB C 33.032 0.300 1 561 53 53 LYS CD C 28.871 0.300 1 562 53 53 LYS CE C 42.426 0.300 1 563 53 53 LYS CG C 24.805 0.300 1 564 53 53 LYS N N 119.129 0.300 1 565 54 54 GLU H H 8.371 0.030 1 566 54 54 GLU HA H 3.641 0.030 1 567 54 54 GLU HB2 H 1.684 0.030 2 568 54 54 GLU HB3 H 1.568 0.030 2 569 54 54 GLU HG2 H 1.885 0.030 2 570 54 54 GLU HG3 H 1.608 0.030 2 571 54 54 GLU C C 176.769 0.300 1 572 54 54 GLU CA C 59.045 0.300 1 573 54 54 GLU CB C 29.276 0.300 1 574 54 54 GLU CG C 35.494 0.300 1 575 54 54 GLU N N 122.097 0.300 1 576 55 55 MET H H 8.292 0.030 1 577 55 55 MET HA H 4.074 0.030 1 578 55 55 MET HB2 H 2.021 0.030 2 579 55 55 MET HB3 H 1.939 0.030 2 580 55 55 MET HE H 2.008 0.030 1 581 55 55 MET HG2 H 2.526 0.030 2 582 55 55 MET HG3 H 2.392 0.030 2 583 55 55 MET C C 176.723 0.300 1 584 55 55 MET CA C 56.413 0.300 1 585 55 55 MET CB C 31.317 0.300 1 586 55 55 MET CE C 16.782 0.300 1 587 55 55 MET CG C 32.240 0.300 1 588 55 55 MET N N 115.673 0.300 1 589 56 56 GLN H H 8.073 0.030 1 590 56 56 GLN HA H 4.324 0.030 1 591 56 56 GLN HB2 H 2.118 0.030 2 592 56 56 GLN HB3 H 2.021 0.030 2 593 56 56 GLN HE21 H 6.862 0.030 2 594 56 56 GLN HE22 H 7.520 0.030 2 595 56 56 GLN HG2 H 2.334 0.030 1 596 56 56 GLN HG3 H 2.334 0.030 1 597 56 56 GLN C C 176.040 0.300 1 598 56 56 GLN CA C 56.999 0.300 1 599 56 56 GLN CB C 29.418 0.300 1 600 56 56 GLN CG C 34.020 0.300 1 601 56 56 GLN N N 118.453 0.300 1 602 56 56 GLN NE2 N 112.349 0.300 1 603 57 57 SER H H 7.900 0.030 1 604 57 57 SER HA H 4.520 0.030 1 605 57 57 SER HB2 H 3.760 0.030 2 606 57 57 SER HB3 H 3.905 0.030 2 607 57 57 SER C C 173.101 0.300 1 608 57 57 SER CA C 57.990 0.300 1 609 57 57 SER CB C 64.525 0.300 1 610 57 57 SER N N 113.310 0.300 1 611 58 58 TYR H H 7.670 0.030 1 612 58 58 TYR HA H 4.934 0.030 1 613 58 58 TYR HB2 H 2.959 0.030 2 614 58 58 TYR HB3 H 2.904 0.030 2 615 58 58 TYR HD1 H 6.926 0.030 1 616 58 58 TYR HD2 H 6.926 0.030 1 617 58 58 TYR HE1 H 6.685 0.030 1 618 58 58 TYR HE2 H 6.685 0.030 1 619 58 58 TYR C C 174.332 0.300 1 620 58 58 TYR CA C 57.037 0.300 1 621 58 58 TYR CB C 39.678 0.300 1 622 58 58 TYR CD1 C 133.570 0.300 1 623 58 58 TYR CD2 C 133.570 0.300 1 624 58 58 TYR CE1 C 118.107 0.300 1 625 58 58 TYR CE2 C 118.107 0.300 1 626 58 58 TYR N N 119.385 0.300 1 627 59 59 SER H H 8.663 0.030 1 628 59 59 SER HA H 4.700 0.030 1 629 59 59 SER HB2 H 3.481 0.030 2 630 59 59 SER HB3 H 2.465 0.030 2 631 59 59 SER C C 171.958 0.300 1 632 59 59 SER CA C 57.525 0.300 1 633 59 59 SER CB C 65.482 0.300 1 634 59 59 SER N N 117.936 0.300 1 635 60 60 THR H H 8.302 0.030 1 636 60 60 THR HA H 5.867 0.030 1 637 60 60 THR HB H 4.096 0.030 1 638 60 60 THR HG2 H 1.256 0.030 1 639 60 60 THR C C 174.137 0.300 1 640 60 60 THR CA C 60.334 0.300 1 641 60 60 THR CB C 72.556 0.300 1 642 60 60 THR CG2 C 21.885 0.300 1 643 60 60 THR N N 113.605 0.300 1 644 61 61 LEU H H 9.355 0.030 1 645 61 61 LEU HA H 4.905 0.030 1 646 61 61 LEU HB2 H 1.851 0.030 1 647 61 61 LEU HB3 H 1.851 0.030 1 648 61 61 LEU HD1 H 1.047 0.030 1 649 61 61 LEU HD2 H 1.179 0.030 1 650 61 61 LEU HG H 1.831 0.030 1 651 61 61 LEU C C 174.897 0.300 1 652 61 61 LEU CA C 54.398 0.300 1 653 61 61 LEU CB C 46.442 0.300 1 654 61 61 LEU CD1 C 26.701 0.300 2 655 61 61 LEU CD2 C 25.121 0.300 2 656 61 61 LEU CG C 27.330 0.300 1 657 61 61 LEU N N 125.914 0.300 1 658 62 62 LYS H H 8.569 0.030 1 659 62 62 LYS HA H 5.461 0.030 1 660 62 62 LYS HB2 H 1.898 0.030 2 661 62 62 LYS HB3 H 1.820 0.030 2 662 62 62 LYS HD2 H 1.728 0.030 2 663 62 62 LYS HD3 H 1.595 0.030 2 664 62 62 LYS HE2 H 2.942 0.030 1 665 62 62 LYS HE3 H 2.942 0.030 1 666 62 62 LYS HG2 H 1.562 0.030 2 667 62 62 LYS HG3 H 1.413 0.030 2 668 62 62 LYS C C 176.016 0.300 1 669 62 62 LYS CA C 54.819 0.300 1 670 62 62 LYS CB C 34.716 0.300 1 671 62 62 LYS CD C 28.960 0.300 1 672 62 62 LYS CE C 42.089 0.300 1 673 62 62 LYS CG C 25.294 0.300 1 674 62 62 LYS N N 122.938 0.300 1 675 63 63 ALA H H 9.127 0.030 1 676 63 63 ALA HA H 5.079 0.030 1 677 63 63 ALA HB H 1.804 0.030 1 678 63 63 ALA C C 176.716 0.300 1 679 63 63 ALA CA C 51.345 0.300 1 680 63 63 ALA CB C 23.516 0.300 1 681 63 63 ALA N N 124.588 0.300 1 682 64 64 VAL H H 8.891 0.030 1 683 64 64 VAL HA H 4.750 0.030 1 684 64 64 VAL HB H 2.556 0.030 1 685 64 64 VAL HG1 H 1.173 0.030 1 686 64 64 VAL HG2 H 1.080 0.030 1 687 64 64 VAL C C 175.712 0.300 1 688 64 64 VAL CA C 62.081 0.300 1 689 64 64 VAL CB C 32.154 0.300 1 690 64 64 VAL CG1 C 21.540 0.300 2 691 64 64 VAL CG2 C 19.471 0.300 2 692 64 64 VAL N N 115.162 0.300 1 693 65 65 THR H H 7.675 0.030 1 694 65 65 THR HA H 4.799 0.030 1 695 65 65 THR HB H 4.346 0.030 1 696 65 65 THR HG2 H 1.245 0.030 1 697 65 65 THR C C 172.440 0.300 1 698 65 65 THR CA C 59.222 0.300 1 699 65 65 THR CB C 70.103 0.300 1 700 65 65 THR CG2 C 20.387 0.300 1 701 65 65 THR N N 113.733 0.300 1 702 66 66 THR H H 7.441 0.030 1 703 66 66 THR HA H 2.807 0.030 1 704 66 66 THR HB H 4.054 0.030 1 705 66 66 THR HG2 H 0.822 0.030 1 706 66 66 THR C C 171.796 0.300 1 707 66 66 THR CA C 59.892 0.300 1 708 66 66 THR CB C 66.012 0.300 1 709 66 66 THR CG2 C 21.520 0.300 1 710 66 66 THR N N 107.110 0.300 1 711 67 67 ARG H H 6.675 0.030 1 712 67 67 ARG HA H 4.237 0.030 1 713 67 67 ARG HB2 H 1.587 0.030 2 714 67 67 ARG HB3 H 1.490 0.030 2 715 67 67 ARG HD2 H 2.967 0.030 1 716 67 67 ARG HD3 H 2.967 0.030 1 717 67 67 ARG HG2 H 1.276 0.030 2 718 67 67 ARG HG3 H 1.237 0.030 2 719 67 67 ARG C C 174.758 0.300 1 720 67 67 ARG CA C 54.581 0.300 1 721 67 67 ARG CB C 33.381 0.300 1 722 67 67 ARG CD C 43.466 0.300 1 723 67 67 ARG CG C 26.370 0.300 1 724 67 67 ARG N N 115.531 0.300 1 725 68 68 ALA H H 8.120 0.030 1 726 68 68 ALA HA H 4.534 0.030 1 727 68 68 ALA HB H 1.451 0.030 1 728 68 68 ALA C C 175.601 0.300 1 729 68 68 ALA CA C 52.421 0.300 1 730 68 68 ALA CB C 22.834 0.300 1 731 68 68 ALA N N 118.781 0.300 1 732 69 69 THR H H 8.621 0.030 1 733 69 69 THR HA H 4.903 0.030 1 734 69 69 THR HB H 3.881 0.030 1 735 69 69 THR HG2 H 0.933 0.030 1 736 69 69 THR C C 172.878 0.300 1 737 69 69 THR CA C 62.123 0.300 1 738 69 69 THR CB C 70.529 0.300 1 739 69 69 THR CG2 C 21.223 0.300 1 740 69 69 THR N N 117.717 0.300 1 741 70 70 VAL H H 8.996 0.030 1 742 70 70 VAL HA H 3.973 0.030 1 743 70 70 VAL HB H 1.691 0.030 1 744 70 70 VAL HG1 H 0.289 0.030 1 745 70 70 VAL HG2 H 0.626 0.030 1 746 70 70 VAL C C 174.293 0.300 1 747 70 70 VAL CA C 61.895 0.300 1 748 70 70 VAL CB C 31.920 0.300 1 749 70 70 VAL CG1 C 20.967 0.300 2 750 70 70 VAL CG2 C 20.151 0.300 2 751 70 70 VAL N N 129.786 0.300 1 752 71 71 SER H H 8.396 0.030 1 753 71 71 SER HA H 5.053 0.030 1 754 71 71 SER HB2 H 3.913 0.030 2 755 71 71 SER HB3 H 3.787 0.030 2 756 71 71 SER C C 173.551 0.300 1 757 71 71 SER CA C 56.857 0.300 1 758 71 71 SER CB C 65.192 0.300 1 759 71 71 SER N N 121.752 0.300 1 760 72 72 GLY H H 8.686 0.030 1 761 72 72 GLY HA2 H 4.008 0.030 2 762 72 72 GLY HA3 H 3.862 0.030 2 763 72 72 GLY C C 175.062 0.300 1 764 72 72 GLY CA C 46.176 0.300 1 765 72 72 GLY N N 108.032 0.300 1 766 73 73 LEU H H 8.256 0.030 1 767 73 73 LEU HA H 4.269 0.030 1 768 73 73 LEU HB2 H 1.295 0.030 2 769 73 73 LEU HB3 H 0.962 0.030 2 770 73 73 LEU HD1 H 0.115 0.030 1 771 73 73 LEU HD2 H 0.010 0.030 1 772 73 73 LEU HG H 1.060 0.030 1 773 73 73 LEU C C 175.912 0.300 1 774 73 73 LEU CA C 53.173 0.300 1 775 73 73 LEU CB C 41.350 0.300 1 776 73 73 LEU CD1 C 25.828 0.300 2 777 73 73 LEU CD2 C 19.952 0.300 2 778 73 73 LEU CG C 26.126 0.300 1 779 73 73 LEU N N 119.006 0.300 1 780 74 74 LYS H H 8.529 0.030 1 781 74 74 LYS HA H 4.651 0.030 1 782 74 74 LYS HB2 H 1.844 0.030 1 783 74 74 LYS HB3 H 1.844 0.030 1 784 74 74 LYS HD2 H 1.753 0.030 2 785 74 74 LYS HD3 H 1.672 0.030 2 786 74 74 LYS HE2 H 2.993 0.030 1 787 74 74 LYS HE3 H 2.993 0.030 1 788 74 74 LYS HG2 H 1.643 0.030 2 789 74 74 LYS HG3 H 1.548 0.030 2 790 74 74 LYS C C 175.154 0.300 1 791 74 74 LYS CA C 54.324 0.300 1 792 74 74 LYS CB C 33.519 0.300 1 793 74 74 LYS CD C 29.759 0.300 1 794 74 74 LYS CE C 42.085 0.300 1 795 74 74 LYS CG C 25.156 0.300 1 796 74 74 LYS N N 121.109 0.300 1 797 75 75 PRO HA H 5.381 0.030 1 798 75 75 PRO HB2 H 2.433 0.030 2 799 75 75 PRO HB3 H 1.850 0.030 2 800 75 75 PRO HD2 H 3.673 0.030 2 801 75 75 PRO HD3 H 3.927 0.030 2 802 75 75 PRO HG2 H 2.023 0.030 2 803 75 75 PRO HG3 H 1.935 0.030 2 804 75 75 PRO C C 179.276 0.300 1 805 75 75 PRO CA C 62.827 0.300 1 806 75 75 PRO CB C 33.061 0.300 1 807 75 75 PRO CD C 51.074 0.300 1 808 75 75 PRO CG C 27.230 0.300 1 809 76 76 GLY H H 8.104 0.030 1 810 76 76 GLY HA2 H 3.885 0.030 2 811 76 76 GLY HA3 H 3.719 0.030 2 812 76 76 GLY C C 174.635 0.300 1 813 76 76 GLY CA C 47.598 0.300 1 814 76 76 GLY N N 114.838 0.300 1 815 77 77 THR H H 8.378 0.030 1 816 77 77 THR HA H 4.468 0.030 1 817 77 77 THR HB H 3.934 0.030 1 818 77 77 THR HG2 H 0.686 0.030 1 819 77 77 THR C C 171.307 0.300 1 820 77 77 THR CA C 62.838 0.300 1 821 77 77 THR CB C 71.733 0.300 1 822 77 77 THR CG2 C 20.365 0.300 1 823 77 77 THR N N 116.189 0.300 1 824 78 78 ARG H H 8.554 0.030 1 825 78 78 ARG HA H 4.733 0.030 1 826 78 78 ARG HB2 H 1.721 0.030 2 827 78 78 ARG HB3 H 1.679 0.030 2 828 78 78 ARG HD2 H 3.305 0.030 2 829 78 78 ARG HD3 H 3.128 0.030 2 830 78 78 ARG HE H 7.598 0.030 1 831 78 78 ARG HG2 H 1.391 0.030 2 832 78 78 ARG HG3 H 1.541 0.030 2 833 78 78 ARG C C 174.379 0.300 1 834 78 78 ARG CA C 56.154 0.300 1 835 78 78 ARG CB C 30.941 0.300 1 836 78 78 ARG CD C 43.065 0.300 1 837 78 78 ARG CG C 28.351 0.300 1 838 78 78 ARG N N 125.677 0.300 1 839 78 78 ARG NE N 83.933 0.300 1 840 79 79 TYR H H 9.185 0.030 1 841 79 79 TYR HA H 4.824 0.030 1 842 79 79 TYR HB2 H 2.714 0.030 2 843 79 79 TYR HB3 H 2.331 0.030 2 844 79 79 TYR HD1 H 6.853 0.030 1 845 79 79 TYR HD2 H 6.853 0.030 1 846 79 79 TYR HE1 H 6.983 0.030 1 847 79 79 TYR HE2 H 6.983 0.030 1 848 79 79 TYR C C 173.704 0.300 1 849 79 79 TYR CA C 57.819 0.300 1 850 79 79 TYR CB C 44.642 0.300 1 851 79 79 TYR CD1 C 132.389 0.300 1 852 79 79 TYR CD2 C 132.389 0.300 1 853 79 79 TYR CE1 C 118.660 0.300 1 854 79 79 TYR CE2 C 118.660 0.300 1 855 79 79 TYR N N 126.335 0.300 1 856 80 80 VAL H H 8.493 0.030 1 857 80 80 VAL HA H 4.396 0.030 1 858 80 80 VAL HB H 0.484 0.030 1 859 80 80 VAL HG1 H 0.648 0.030 1 860 80 80 VAL HG2 H 0.588 0.030 1 861 80 80 VAL C C 174.100 0.300 1 862 80 80 VAL CA C 60.979 0.300 1 863 80 80 VAL CB C 33.183 0.300 1 864 80 80 VAL CG1 C 22.957 0.300 2 865 80 80 VAL CG2 C 21.006 0.300 2 866 80 80 VAL N N 119.984 0.300 1 867 81 81 PHE H H 8.755 0.030 1 868 81 81 PHE HA H 5.229 0.030 1 869 81 81 PHE HB2 H 2.765 0.030 2 870 81 81 PHE HB3 H 2.510 0.030 2 871 81 81 PHE HD1 H 6.952 0.030 1 872 81 81 PHE HD2 H 6.952 0.030 1 873 81 81 PHE HE1 H 6.721 0.030 1 874 81 81 PHE HE2 H 6.721 0.030 1 875 81 81 PHE HZ H 6.404 0.030 1 876 81 81 PHE C C 176.335 0.300 1 877 81 81 PHE CA C 56.695 0.300 1 878 81 81 PHE CB C 43.695 0.300 1 879 81 81 PHE CD1 C 132.062 0.300 1 880 81 81 PHE CD2 C 132.062 0.300 1 881 81 81 PHE CE1 C 130.307 0.300 1 882 81 81 PHE CE2 C 130.307 0.300 1 883 81 81 PHE CZ C 127.965 0.300 1 884 81 81 PHE N N 120.442 0.300 1 885 82 82 GLN H H 9.064 0.030 1 886 82 82 GLN HA H 4.434 0.030 1 887 82 82 GLN HB2 H 1.508 0.030 2 888 82 82 GLN HB3 H 2.099 0.030 2 889 82 82 GLN HE21 H 6.868 0.030 2 890 82 82 GLN HE22 H 7.692 0.030 2 891 82 82 GLN HG2 H 2.207 0.030 2 892 82 82 GLN HG3 H 1.757 0.030 2 893 82 82 GLN C C 173.607 0.300 1 894 82 82 GLN CA C 55.332 0.300 1 895 82 82 GLN CB C 35.863 0.300 1 896 82 82 GLN CG C 36.161 0.300 1 897 82 82 GLN N N 117.959 0.300 1 898 82 82 GLN NE2 N 111.997 0.300 1 899 83 83 VAL H H 8.897 0.030 1 900 83 83 VAL HA H 5.590 0.030 1 901 83 83 VAL HB H 1.150 0.030 1 902 83 83 VAL HG1 H 0.096 0.030 1 903 83 83 VAL HG2 H -0.108 0.030 1 904 83 83 VAL C C 175.909 0.300 1 905 83 83 VAL CA C 60.217 0.300 1 906 83 83 VAL CB C 35.874 0.300 1 907 83 83 VAL CG1 C 21.101 0.300 2 908 83 83 VAL CG2 C 20.057 0.300 2 909 83 83 VAL N N 119.313 0.300 1 910 84 84 ARG H H 9.236 0.030 1 911 84 84 ARG HA H 4.947 0.030 1 912 84 84 ARG HB2 H 0.780 0.030 2 913 84 84 ARG HB3 H 1.455 0.030 2 914 84 84 ARG HD2 H 2.702 0.030 2 915 84 84 ARG HD3 H 0.642 0.030 2 916 84 84 ARG HE H 6.526 0.030 1 917 84 84 ARG HG2 H 1.022 0.030 2 918 84 84 ARG HG3 H 1.145 0.030 2 919 84 84 ARG C C 172.377 0.300 1 920 84 84 ARG CA C 54.189 0.300 1 921 84 84 ARG CB C 33.839 0.300 1 922 84 84 ARG CD C 43.054 0.300 1 923 84 84 ARG CG C 24.940 0.300 1 924 84 84 ARG N N 124.431 0.300 1 925 84 84 ARG NE N 84.415 0.300 1 926 85 85 ALA H H 8.837 0.030 1 927 85 85 ALA HA H 4.647 0.030 1 928 85 85 ALA HB H 1.265 0.030 1 929 85 85 ALA C C 175.017 0.300 1 930 85 85 ALA CA C 50.619 0.300 1 931 85 85 ALA CB C 22.404 0.300 1 932 85 85 ALA N N 123.683 0.300 1 933 86 86 ARG H H 8.367 0.030 1 934 86 86 ARG HA H 4.997 0.030 1 935 86 86 ARG HB2 H 1.755 0.030 2 936 86 86 ARG HB3 H 1.624 0.030 2 937 86 86 ARG HD2 H 3.066 0.030 2 938 86 86 ARG HD3 H 3.156 0.030 2 939 86 86 ARG HG2 H 1.473 0.030 2 940 86 86 ARG HG3 H 1.422 0.030 2 941 86 86 ARG C C 175.442 0.300 1 942 86 86 ARG CA C 55.806 0.300 1 943 86 86 ARG CB C 34.075 0.300 1 944 86 86 ARG CD C 43.193 0.300 1 945 86 86 ARG CG C 28.485 0.300 1 946 86 86 ARG N N 119.836 0.300 1 947 87 87 THR H H 8.587 0.030 1 948 87 87 THR HA H 4.973 0.030 1 949 87 87 THR HB H 4.532 0.030 1 950 87 87 THR HG2 H 0.982 0.030 1 951 87 87 THR C C 175.977 0.300 1 952 87 87 THR CA C 59.526 0.300 1 953 87 87 THR CB C 72.298 0.300 1 954 87 87 THR CG2 C 20.980 0.300 1 955 87 87 THR N N 116.435 0.300 1 956 88 88 SER H H 9.818 0.030 1 957 88 88 SER HA H 4.107 0.030 1 958 88 88 SER HB2 H 3.928 0.030 2 959 88 88 SER HB3 H 4.039 0.030 2 960 88 88 SER C C 174.738 0.300 1 961 88 88 SER CA C 61.169 0.300 1 962 88 88 SER CB C 62.592 0.300 1 963 88 88 SER N N 116.635 0.300 1 964 89 89 ALA H H 8.034 0.030 1 965 89 89 ALA HA H 4.347 0.030 1 966 89 89 ALA HB H 1.180 0.030 1 967 89 89 ALA C C 177.416 0.300 1 968 89 89 ALA CA C 52.621 0.300 1 969 89 89 ALA CB C 20.104 0.300 1 970 89 89 ALA N N 122.135 0.300 1 971 90 90 GLY H H 7.467 0.030 1 972 90 90 GLY HA2 H 4.425 0.030 2 973 90 90 GLY HA3 H 3.886 0.030 2 974 90 90 GLY C C 171.812 0.300 1 975 90 90 GLY CA C 44.333 0.300 1 976 90 90 GLY N N 105.449 0.300 1 977 91 91 CYS H H 8.533 0.030 1 978 91 91 CYS HA H 5.218 0.030 1 979 91 91 CYS HB2 H 2.724 0.030 2 980 91 91 CYS HB3 H 2.555 0.030 2 981 91 91 CYS C C 175.916 0.300 1 982 91 91 CYS CA C 57.266 0.300 1 983 91 91 CYS CB C 29.673 0.300 1 984 92 92 GLY H H 8.544 0.030 1 985 92 92 GLY HA2 H 4.210 0.030 2 986 92 92 GLY HA3 H 3.893 0.030 2 987 92 92 GLY C C 173.214 0.300 1 988 92 92 GLY CA C 44.251 0.300 1 989 92 92 GLY N N 109.140 0.300 1 990 93 93 ARG H H 8.680 0.030 1 991 93 93 ARG HA H 4.181 0.030 1 992 93 93 ARG HB2 H 1.796 0.030 2 993 93 93 ARG HB3 H 1.607 0.030 2 994 93 93 ARG HD2 H 3.219 0.030 1 995 93 93 ARG HD3 H 3.219 0.030 1 996 93 93 ARG HG2 H 1.804 0.030 1 997 93 93 ARG HG3 H 1.804 0.030 1 998 93 93 ARG C C 177.963 0.300 1 999 93 93 ARG CA C 56.126 0.300 1 1000 93 93 ARG CB C 31.271 0.300 1 1001 93 93 ARG CD C 43.657 0.300 1 1002 93 93 ARG CG C 27.298 0.300 1 1003 93 93 ARG N N 118.966 0.300 1 1004 94 94 PHE H H 8.888 0.030 1 1005 94 94 PHE HA H 4.278 0.030 1 1006 94 94 PHE HB2 H 3.267 0.030 2 1007 94 94 PHE HB3 H 2.887 0.030 2 1008 94 94 PHE HD1 H 7.135 0.030 1 1009 94 94 PHE HD2 H 7.135 0.030 1 1010 94 94 PHE HE1 H 7.242 0.030 1 1011 94 94 PHE HE2 H 7.242 0.030 1 1012 94 94 PHE HZ H 7.171 0.030 1 1013 94 94 PHE C C 177.364 0.300 1 1014 94 94 PHE CA C 60.998 0.300 1 1015 94 94 PHE CB C 40.324 0.300 1 1016 94 94 PHE CD1 C 131.677 0.300 1 1017 94 94 PHE CD2 C 131.677 0.300 1 1018 94 94 PHE CE1 C 131.677 0.300 1 1019 94 94 PHE CE2 C 131.677 0.300 1 1020 94 94 PHE CZ C 129.841 0.300 1 1021 94 94 PHE N N 122.038 0.300 1 1022 95 95 SER H H 8.476 0.030 1 1023 95 95 SER HA H 4.454 0.030 1 1024 95 95 SER HB2 H 4.297 0.030 2 1025 95 95 SER HB3 H 4.133 0.030 2 1026 95 95 SER C C 173.261 0.300 1 1027 95 95 SER CA C 58.363 0.300 1 1028 95 95 SER CB C 65.980 0.300 1 1029 95 95 SER N N 115.710 0.300 1 1030 96 96 GLN H H 9.017 0.030 1 1031 96 96 GLN HA H 4.254 0.030 1 1032 96 96 GLN HB2 H 2.118 0.030 1 1033 96 96 GLN HB3 H 2.118 0.030 1 1034 96 96 GLN HE21 H 6.975 0.030 2 1035 96 96 GLN HE22 H 7.684 0.030 2 1036 96 96 GLN HG2 H 2.510 0.030 1 1037 96 96 GLN HG3 H 2.510 0.030 1 1038 96 96 GLN C C 176.813 0.300 1 1039 96 96 GLN CA C 56.599 0.300 1 1040 96 96 GLN CB C 28.777 0.300 1 1041 96 96 GLN CG C 33.839 0.300 1 1042 96 96 GLN N N 119.516 0.300 1 1043 96 96 GLN NE2 N 112.259 0.300 1 1044 97 97 ALA H H 8.803 0.030 1 1045 97 97 ALA HA H 4.091 0.030 1 1046 97 97 ALA HB H 1.266 0.030 1 1047 97 97 ALA C C 176.495 0.300 1 1048 97 97 ALA CA C 53.249 0.300 1 1049 97 97 ALA CB C 19.422 0.300 1 1050 97 97 ALA N N 128.237 0.300 1 1051 98 98 MET H H 8.460 0.030 1 1052 98 98 MET HA H 4.791 0.030 1 1053 98 98 MET HB2 H 2.074 0.030 2 1054 98 98 MET HB3 H 2.009 0.030 2 1055 98 98 MET HE H 1.773 0.030 1 1056 98 98 MET HG2 H 2.554 0.030 2 1057 98 98 MET HG3 H 2.318 0.030 2 1058 98 98 MET C C 174.155 0.300 1 1059 98 98 MET CA C 54.257 0.300 1 1060 98 98 MET CB C 35.079 0.300 1 1061 98 98 MET CE C 17.432 0.300 1 1062 98 98 MET CG C 31.644 0.300 1 1063 98 98 MET N N 123.269 0.300 1 1064 99 99 GLU H H 8.793 0.030 1 1065 99 99 GLU HA H 5.566 0.030 1 1066 99 99 GLU HB2 H 1.939 0.030 2 1067 99 99 GLU HB3 H 1.887 0.030 2 1068 99 99 GLU HG2 H 2.242 0.030 2 1069 99 99 GLU HG3 H 2.051 0.030 2 1070 99 99 GLU C C 176.393 0.300 1 1071 99 99 GLU CA C 54.922 0.300 1 1072 99 99 GLU CB C 31.943 0.300 1 1073 99 99 GLU CG C 36.875 0.300 1 1074 99 99 GLU N N 126.093 0.300 1 1075 100 100 VAL H H 9.219 0.030 1 1076 100 100 VAL HA H 4.338 0.030 1 1077 100 100 VAL HB H 2.027 0.030 1 1078 100 100 VAL HG1 H 0.857 0.030 1 1079 100 100 VAL HG2 H 0.823 0.030 1 1080 100 100 VAL C C 173.435 0.300 1 1081 100 100 VAL CA C 61.186 0.300 1 1082 100 100 VAL CB C 36.686 0.300 1 1083 100 100 VAL CG1 C 21.850 0.300 2 1084 100 100 VAL CG2 C 21.655 0.300 2 1085 100 100 VAL N N 122.853 0.300 1 1086 101 101 GLU H H 8.639 0.030 1 1087 101 101 GLU HA H 5.379 0.030 1 1088 101 101 GLU HB2 H 2.002 0.030 2 1089 101 101 GLU HB3 H 1.760 0.030 2 1090 101 101 GLU HG2 H 2.333 0.030 2 1091 101 101 GLU HG3 H 1.913 0.030 2 1092 101 101 GLU C C 176.803 0.300 1 1093 101 101 GLU CA C 53.995 0.300 1 1094 101 101 GLU CB C 32.315 0.300 1 1095 101 101 GLU CG C 36.406 0.300 1 1096 101 101 GLU N N 127.166 0.300 1 1097 102 102 THR H H 8.950 0.030 1 1098 102 102 THR HA H 4.239 0.030 1 1099 102 102 THR HB H 4.840 0.030 1 1100 102 102 THR HG2 H 1.082 0.030 1 1101 102 102 THR C C 176.156 0.300 1 1102 102 102 THR CA C 61.112 0.300 1 1103 102 102 THR CB C 69.672 0.300 1 1104 102 102 THR CG2 C 24.313 0.300 1 1105 102 102 THR N N 116.679 0.300 1 1106 103 103 GLY H H 8.057 0.030 1 1107 103 103 GLY HA2 H 4.038 0.030 2 1108 103 103 GLY HA3 H 3.697 0.030 2 1109 103 103 GLY C C 173.067 0.300 1 1110 103 103 GLY CA C 45.014 0.300 1 1111 103 103 GLY N N 106.445 0.300 1 1112 104 104 LYS H H 8.248 0.030 1 1113 104 104 LYS HA H 4.485 0.030 1 1114 104 104 LYS HB2 H 1.851 0.030 2 1115 104 104 LYS HB3 H 1.725 0.030 2 1116 104 104 LYS HD2 H 1.710 0.030 1 1117 104 104 LYS HD3 H 1.710 0.030 1 1118 104 104 LYS HE2 H 3.024 0.030 1 1119 104 104 LYS HE3 H 3.024 0.030 1 1120 104 104 LYS HG2 H 1.571 0.030 2 1121 104 104 LYS HG3 H 1.505 0.030 2 1122 104 104 LYS C C 174.794 0.300 1 1123 104 104 LYS CA C 54.475 0.300 1 1124 104 104 LYS CB C 32.831 0.300 1 1125 104 104 LYS CD C 29.338 0.300 1 1126 104 104 LYS CE C 42.073 0.300 1 1127 104 104 LYS CG C 24.963 0.300 1 1128 104 104 LYS N N 118.993 0.300 1 1129 105 105 PRO HA H 4.478 0.030 1 1130 105 105 PRO HB2 H 2.275 0.030 2 1131 105 105 PRO HB3 H 1.990 0.030 2 1132 105 105 PRO HD2 H 3.725 0.030 2 1133 105 105 PRO HD3 H 3.570 0.030 2 1134 105 105 PRO HG2 H 1.972 0.030 2 1135 105 105 PRO HG3 H 2.077 0.030 2 1136 105 105 PRO C C 176.748 0.300 1 1137 105 105 PRO CA C 62.947 0.300 1 1138 105 105 PRO CB C 31.970 0.300 1 1139 105 105 PRO CD C 50.473 0.300 1 1140 105 105 PRO CG C 27.300 0.300 1 1141 106 106 SER H H 8.457 0.030 1 1142 106 106 SER HA H 4.476 0.030 1 1143 106 106 SER HB2 H 3.893 0.030 1 1144 106 106 SER HB3 H 3.893 0.030 1 1145 106 106 SER C C 174.561 0.300 1 1146 106 106 SER CA C 58.331 0.300 1 1147 106 106 SER CB C 64.020 0.300 1 1148 106 106 SER N N 116.454 0.300 1 1149 107 107 GLY H H 8.247 0.030 1 1150 107 107 GLY HA2 H 4.177 0.030 2 1151 107 107 GLY HA3 H 4.115 0.030 2 1152 107 107 GLY C C 171.769 0.300 1 1153 107 107 GLY CA C 44.631 0.300 1 1154 107 107 GLY N N 110.674 0.300 1 1155 108 108 PRO HA H 4.489 0.030 1 1156 108 108 PRO HB2 H 2.306 0.030 2 1157 108 108 PRO HB3 H 1.990 0.030 2 1158 108 108 PRO HD2 H 3.641 0.030 1 1159 108 108 PRO HD3 H 3.641 0.030 1 1160 108 108 PRO HG2 H 2.032 0.030 1 1161 108 108 PRO HG3 H 2.032 0.030 1 1162 108 108 PRO CA C 63.226 0.300 1 1163 108 108 PRO CB C 32.176 0.300 1 1164 108 108 PRO CD C 49.764 0.300 1 1165 108 108 PRO CG C 27.153 0.300 1 1166 110 110 SER H H 8.498 0.030 1 1167 110 110 SER HA H 4.499 0.030 1 1168 110 110 SER HB2 H 3.893 0.030 1 1169 110 110 SER HB3 H 3.893 0.030 1 1170 110 110 SER C C 173.924 0.300 1 1171 110 110 SER CA C 58.597 0.300 1 1172 110 110 SER CB C 63.988 0.300 1 1173 111 111 GLY H H 8.052 0.030 1 1174 111 111 GLY HA2 H 3.785 0.030 1 1175 111 111 GLY HA3 H 3.785 0.030 1 1176 111 111 GLY C C 179.008 0.300 1 1177 111 111 GLY CA C 46.235 0.300 1 1178 111 111 GLY N N 116.895 0.300 1 stop_ save_