data_11246 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the FHA domain of mouse Afadin 6 ; _BMRB_accession_number 11246 _BMRB_flat_file_name bmr11246.str _Entry_type original _Submission_date 2010-07-23 _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 Hayashi F. . . 2 Hirata Y. . . 3 Guntert P. . . 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" 689 "13C chemical shifts" 518 "15N chemical shifts" 122 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-03 original author . stop_ _Original_release_date 2011-08-03 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the FHA domain of mouse Afadin 6' _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 Hayashi F. . . 2 Hirata Y. . . 3 Guntert P. . . 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 'Afadin 6' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FHA domain' $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 'FHA domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 120 _Mol_residue_sequence ; GSSGSSGPEKLPYLVELSPD GSDSRDKPKLYRLQLSVTEV GTEKFDDNSIQLFGPGIQPH HCDLTNMDGVVTVTPRSMDA ETYVDGQRISETTMLQSGMR LQFGTSHVFKFVDPSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 GLU 10 LYS 11 LEU 12 PRO 13 TYR 14 LEU 15 VAL 16 GLU 17 LEU 18 SER 19 PRO 20 ASP 21 GLY 22 SER 23 ASP 24 SER 25 ARG 26 ASP 27 LYS 28 PRO 29 LYS 30 LEU 31 TYR 32 ARG 33 LEU 34 GLN 35 LEU 36 SER 37 VAL 38 THR 39 GLU 40 VAL 41 GLY 42 THR 43 GLU 44 LYS 45 PHE 46 ASP 47 ASP 48 ASN 49 SER 50 ILE 51 GLN 52 LEU 53 PHE 54 GLY 55 PRO 56 GLY 57 ILE 58 GLN 59 PRO 60 HIS 61 HIS 62 CYS 63 ASP 64 LEU 65 THR 66 ASN 67 MET 68 ASP 69 GLY 70 VAL 71 VAL 72 THR 73 VAL 74 THR 75 PRO 76 ARG 77 SER 78 MET 79 ASP 80 ALA 81 GLU 82 THR 83 TYR 84 VAL 85 ASP 86 GLY 87 GLN 88 ARG 89 ILE 90 SER 91 GLU 92 THR 93 THR 94 MET 95 LEU 96 GLN 97 SER 98 GLY 99 MET 100 ARG 101 LEU 102 GLN 103 PHE 104 GLY 105 THR 106 SER 107 HIS 108 VAL 109 PHE 110 LYS 111 PHE 112 VAL 113 ASP 114 PRO 115 SER 116 GLY 117 PRO 118 SER 119 SER 120 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-08-26 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 1WLN "Solution Structure Of The Fha Domain Of Mouse Afadin 6" 100.00 120 100.00 100.00 3.18e-80 GB EGW13515 "Afadin [Cricetulus griseus]" 79.17 1605 97.89 100.00 4.32e-56 GB EHA98723 "Afadin [Heterocephalus glaber]" 90.00 1835 97.22 99.07 1.61e-64 GB ERE82130 "afadin [Cricetulus griseus]" 89.17 1840 98.13 100.00 2.60e-64 REF XP_006523823 "PREDICTED: afadin isoform X9 [Mus musculus]" 89.17 1902 100.00 100.00 1.80e-65 REF XP_006523825 "PREDICTED: afadin isoform X10 [Mus musculus]" 89.17 1893 100.00 100.00 1.73e-65 REF XP_006523830 "PREDICTED: afadin isoform X15 [Mus musculus]" 89.17 1881 100.00 100.00 1.72e-65 REF XP_006975980 "PREDICTED: afadin [Peromyscus maniculatus bairdii]" 89.17 1771 98.13 100.00 1.42e-64 REF XP_007607738 "PREDICTED: afadin isoform X1 [Cricetulus griseus]" 89.17 1771 98.13 100.00 1.43e-64 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 'house mouse' 10090 Eukaryota Metazoa Mus musculus 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 P020805-25 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 0.7mM FHA {domain;} {U-15N,13C;} 20mM phosphate buffer {NA;} 100mM {NaCl;} 0.02% {NaN3;} 1mMDTT ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 0.7 mM '[U-13C; U-15N]' phosphate 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' 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 20020425 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 0.902 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.7 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_ ############################# # NMR applied experiments # ############################# save_3D_13C-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ save_3D_15N-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-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 6.0 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 13C-separated NOESY' '3D 15N-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 'FHA domain' _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 1 1 GLY HA2 H 3.912 0.030 1 2 1 1 GLY HA3 H 3.912 0.030 1 3 1 1 GLY CA C 43.476 0.300 1 4 2 2 SER HA H 4.586 0.030 1 5 2 2 SER HB2 H 3.911 0.030 1 6 2 2 SER HB3 H 3.911 0.030 1 7 2 2 SER C C 174.770 0.300 1 8 2 2 SER CA C 58.357 0.300 1 9 2 2 SER CB C 64.029 0.300 1 10 3 3 SER H H 8.583 0.030 1 11 3 3 SER HA H 4.522 0.030 1 12 3 3 SER HB2 H 3.913 0.030 1 13 3 3 SER HB3 H 3.913 0.030 1 14 3 3 SER C C 175.060 0.300 1 15 3 3 SER CA C 58.603 0.300 1 16 3 3 SER CB C 63.899 0.300 1 17 3 3 SER N N 118.193 0.300 1 18 4 4 GLY H H 8.469 0.030 1 19 4 4 GLY HA2 H 4.020 0.030 1 20 4 4 GLY HA3 H 4.020 0.030 1 21 4 4 GLY C C 174.276 0.300 1 22 4 4 GLY CA C 45.466 0.300 1 23 4 4 GLY N N 110.859 0.300 1 24 5 5 SER H H 8.262 0.030 1 25 5 5 SER HA H 4.533 0.030 1 26 5 5 SER HB2 H 3.891 0.030 1 27 5 5 SER HB3 H 3.891 0.030 1 28 5 5 SER C C 174.643 0.300 1 29 5 5 SER CA C 58.292 0.300 1 30 5 5 SER CB C 64.001 0.300 1 31 5 5 SER N N 115.712 0.300 1 32 6 6 SER H H 8.407 0.030 1 33 6 6 SER HA H 4.542 0.030 1 34 6 6 SER HB2 H 3.908 0.030 1 35 6 6 SER HB3 H 3.908 0.030 1 36 6 6 SER C C 174.445 0.300 1 37 6 6 SER CA C 58.357 0.300 1 38 6 6 SER CB C 64.072 0.300 1 39 6 6 SER N N 117.949 0.300 1 40 7 7 GLY H H 8.311 0.030 1 41 7 7 GLY HA2 H 4.139 0.030 1 42 7 7 GLY HA3 H 4.139 0.030 1 43 7 7 GLY C C 172.452 0.300 1 44 7 7 GLY CA C 44.954 0.300 1 45 7 7 GLY N N 110.780 0.300 1 46 8 8 PRO HA H 4.358 0.030 1 47 8 8 PRO HB2 H 2.268 0.030 2 48 8 8 PRO HB3 H 1.899 0.030 2 49 8 8 PRO HD2 H 3.674 0.030 2 50 8 8 PRO HD3 H 3.617 0.030 2 51 8 8 PRO HG2 H 2.021 0.030 2 52 8 8 PRO HG3 H 1.977 0.030 2 53 8 8 PRO C C 177.417 0.300 1 54 8 8 PRO CA C 63.759 0.300 1 55 8 8 PRO CB C 32.029 0.300 1 56 8 8 PRO CD C 49.956 0.300 1 57 8 8 PRO CG C 27.217 0.300 1 58 9 9 GLU H H 8.703 0.030 1 59 9 9 GLU HA H 4.157 0.030 1 60 9 9 GLU HB2 H 2.035 0.030 2 61 9 9 GLU HB3 H 1.932 0.030 2 62 9 9 GLU HG2 H 2.228 0.030 2 63 9 9 GLU HG3 H 2.193 0.030 2 64 9 9 GLU C C 176.745 0.300 1 65 9 9 GLU CA C 57.397 0.300 1 66 9 9 GLU CB C 29.396 0.300 1 67 9 9 GLU CG C 35.936 0.300 1 68 9 9 GLU N N 119.440 0.300 1 69 10 10 LYS H H 8.183 0.030 1 70 10 10 LYS HA H 4.345 0.030 1 71 10 10 LYS HB2 H 1.873 0.030 2 72 10 10 LYS HB3 H 1.707 0.030 2 73 10 10 LYS HD2 H 1.645 0.030 2 74 10 10 LYS HD3 H 1.610 0.030 2 75 10 10 LYS HE2 H 2.967 0.030 1 76 10 10 LYS HE3 H 2.967 0.030 1 77 10 10 LYS HG2 H 1.349 0.030 2 78 10 10 LYS HG3 H 1.442 0.030 2 79 10 10 LYS C C 175.922 0.300 1 80 10 10 LYS CA C 55.626 0.300 1 81 10 10 LYS CB C 33.211 0.300 1 82 10 10 LYS CD C 28.945 0.300 1 83 10 10 LYS CE C 42.146 0.300 1 84 10 10 LYS CG C 24.911 0.300 1 85 10 10 LYS N N 120.021 0.300 1 86 11 11 LEU H H 7.652 0.030 1 87 11 11 LEU HA H 4.662 0.030 1 88 11 11 LEU HB2 H 1.601 0.030 1 89 11 11 LEU HB3 H 1.601 0.030 1 90 11 11 LEU HD1 H 0.842 0.030 1 91 11 11 LEU HD2 H 0.950 0.030 1 92 11 11 LEU HG H 1.672 0.030 1 93 11 11 LEU C C 174.227 0.300 1 94 11 11 LEU CA C 53.060 0.300 1 95 11 11 LEU CB C 41.749 0.300 1 96 11 11 LEU CD1 C 26.229 0.300 2 97 11 11 LEU CD2 C 22.166 0.300 2 98 11 11 LEU CG C 27.139 0.300 1 99 11 11 LEU N N 121.956 0.300 1 100 12 12 PRO HA H 4.842 0.030 1 101 12 12 PRO HB2 H 2.370 0.030 2 102 12 12 PRO HB3 H 1.924 0.030 2 103 12 12 PRO HD2 H 4.052 0.030 2 104 12 12 PRO HD3 H 3.664 0.030 2 105 12 12 PRO HG2 H 2.015 0.030 1 106 12 12 PRO HG3 H 2.015 0.030 1 107 12 12 PRO C C 174.352 0.300 1 108 12 12 PRO CA C 62.445 0.300 1 109 12 12 PRO CB C 33.219 0.300 1 110 12 12 PRO CD C 50.404 0.300 1 111 12 12 PRO CG C 27.584 0.300 1 112 13 13 TYR H H 8.666 0.030 1 113 13 13 TYR HA H 5.511 0.030 1 114 13 13 TYR HB2 H 2.845 0.030 2 115 13 13 TYR HB3 H 2.693 0.030 2 116 13 13 TYR HD1 H 6.948 0.030 1 117 13 13 TYR HD2 H 6.948 0.030 1 118 13 13 TYR HE1 H 6.520 0.030 1 119 13 13 TYR HE2 H 6.520 0.030 1 120 13 13 TYR C C 172.482 0.300 1 121 13 13 TYR CA C 55.575 0.300 1 122 13 13 TYR CB C 41.788 0.300 1 123 13 13 TYR CD1 C 134.073 0.300 1 124 13 13 TYR CD2 C 134.073 0.300 1 125 13 13 TYR CE1 C 117.079 0.300 1 126 13 13 TYR CE2 C 117.079 0.300 1 127 13 13 TYR N N 113.790 0.300 1 128 14 14 LEU H H 8.777 0.030 1 129 14 14 LEU HA H 5.653 0.030 1 130 14 14 LEU HB2 H 1.527 0.030 2 131 14 14 LEU HB3 H 1.837 0.030 2 132 14 14 LEU HD1 H 0.558 0.030 1 133 14 14 LEU HD2 H 0.921 0.030 1 134 14 14 LEU HG H 1.791 0.030 1 135 14 14 LEU C C 176.636 0.300 1 136 14 14 LEU CA C 52.700 0.300 1 137 14 14 LEU CB C 45.438 0.300 1 138 14 14 LEU CD1 C 25.124 0.300 2 139 14 14 LEU CD2 C 24.332 0.300 2 140 14 14 LEU CG C 27.310 0.300 1 141 14 14 LEU N N 116.138 0.300 1 142 15 15 VAL H H 9.366 0.030 1 143 15 15 VAL HA H 5.386 0.030 1 144 15 15 VAL HB H 2.155 0.030 1 145 15 15 VAL HG1 H 1.195 0.030 1 146 15 15 VAL HG2 H 1.172 0.030 1 147 15 15 VAL C C 174.534 0.300 1 148 15 15 VAL CA C 59.594 0.300 1 149 15 15 VAL CB C 35.459 0.300 1 150 15 15 VAL CG1 C 22.007 0.300 2 151 15 15 VAL CG2 C 19.817 0.300 2 152 15 15 VAL N N 120.972 0.300 1 153 16 16 GLU H H 8.981 0.030 1 154 16 16 GLU HA H 3.790 0.030 1 155 16 16 GLU HB2 H 2.120 0.030 2 156 16 16 GLU HB3 H 1.993 0.030 2 157 16 16 GLU HG2 H 2.305 0.030 2 158 16 16 GLU HG3 H 1.917 0.030 2 159 16 16 GLU C C 175.347 0.300 1 160 16 16 GLU CA C 58.312 0.300 1 161 16 16 GLU CB C 30.901 0.300 1 162 16 16 GLU CG C 36.462 0.300 1 163 16 16 GLU N N 130.264 0.300 1 164 17 17 LEU H H 8.453 0.030 1 165 17 17 LEU HA H 4.681 0.030 1 166 17 17 LEU HB2 H 1.497 0.030 2 167 17 17 LEU HB3 H 1.447 0.030 2 168 17 17 LEU HD1 H 0.796 0.030 1 169 17 17 LEU HD2 H 0.817 0.030 1 170 17 17 LEU HG H 1.660 0.030 1 171 17 17 LEU C C 177.548 0.300 1 172 17 17 LEU CA C 53.344 0.300 1 173 17 17 LEU CB C 42.986 0.300 1 174 17 17 LEU CD1 C 25.787 0.300 2 175 17 17 LEU CD2 C 22.629 0.300 2 176 17 17 LEU CG C 26.715 0.300 1 177 17 17 LEU N N 125.895 0.300 1 178 18 18 SER H H 8.512 0.030 1 179 18 18 SER HA H 4.687 0.030 1 180 18 18 SER HB2 H 3.881 0.030 1 181 18 18 SER HB3 H 3.881 0.030 1 182 18 18 SER C C 173.662 0.300 1 183 18 18 SER CA C 57.458 0.300 1 184 18 18 SER CB C 62.916 0.300 1 185 18 18 SER N N 117.381 0.300 1 186 19 19 PRO HA H 4.275 0.030 1 187 19 19 PRO HB2 H 2.295 0.030 2 188 19 19 PRO HB3 H 1.892 0.030 2 189 19 19 PRO HD2 H 3.809 0.030 2 190 19 19 PRO HD3 H 3.760 0.030 2 191 19 19 PRO HG2 H 2.022 0.030 1 192 19 19 PRO HG3 H 2.022 0.030 1 193 19 19 PRO C C 176.688 0.300 1 194 19 19 PRO CA C 64.635 0.300 1 195 19 19 PRO CB C 31.831 0.300 1 196 19 19 PRO CD C 50.685 0.300 1 197 19 19 PRO CG C 27.530 0.300 1 198 20 20 ASP H H 7.839 0.030 1 199 20 20 ASP HA H 4.507 0.030 1 200 20 20 ASP HB2 H 2.602 0.030 2 201 20 20 ASP HB3 H 2.853 0.030 2 202 20 20 ASP C C 177.152 0.300 1 203 20 20 ASP CA C 53.749 0.300 1 204 20 20 ASP CB C 40.376 0.300 1 205 20 20 ASP N N 116.081 0.300 1 206 21 21 GLY H H 8.479 0.030 1 207 21 21 GLY HA2 H 4.178 0.030 2 208 21 21 GLY HA3 H 3.584 0.030 2 209 21 21 GLY C C 174.038 0.300 1 210 21 21 GLY CA C 45.439 0.300 1 211 21 21 GLY N N 109.456 0.300 1 212 22 22 SER H H 8.059 0.030 1 213 22 22 SER HA H 4.405 0.030 1 214 22 22 SER HB2 H 3.943 0.030 2 215 22 22 SER HB3 H 3.862 0.030 2 216 22 22 SER C C 173.820 0.300 1 217 22 22 SER CA C 58.433 0.300 1 218 22 22 SER CB C 64.347 0.300 1 219 22 22 SER N N 116.186 0.300 1 220 23 23 ASP H H 8.546 0.030 1 221 23 23 ASP HA H 4.702 0.030 1 222 23 23 ASP HB2 H 2.552 0.030 2 223 23 23 ASP HB3 H 2.717 0.030 2 224 23 23 ASP C C 176.626 0.300 1 225 23 23 ASP CA C 54.397 0.300 1 226 23 23 ASP CB C 40.776 0.300 1 227 23 23 ASP N N 121.708 0.300 1 228 24 24 SER H H 8.462 0.030 1 229 24 24 SER HA H 4.400 0.030 1 230 24 24 SER HB2 H 3.912 0.030 2 231 24 24 SER HB3 H 3.788 0.030 2 232 24 24 SER C C 175.327 0.300 1 233 24 24 SER CA C 58.290 0.300 1 234 24 24 SER CB C 63.763 0.300 1 235 24 24 SER N N 116.229 0.300 1 236 25 25 ARG H H 8.591 0.030 1 237 25 25 ARG HA H 4.284 0.030 1 238 25 25 ARG HB2 H 1.754 0.030 2 239 25 25 ARG HB3 H 1.882 0.030 2 240 25 25 ARG HD2 H 3.173 0.030 1 241 25 25 ARG HD3 H 3.173 0.030 1 242 25 25 ARG HE H 7.210 0.030 1 243 25 25 ARG HG2 H 1.629 0.030 1 244 25 25 ARG HG3 H 1.629 0.030 1 245 25 25 ARG C C 176.249 0.300 1 246 25 25 ARG CA C 56.495 0.300 1 247 25 25 ARG CB C 30.299 0.300 1 248 25 25 ARG CD C 43.244 0.300 1 249 25 25 ARG CG C 27.186 0.300 1 250 25 25 ARG N N 123.762 0.300 1 251 25 25 ARG NE N 84.881 0.300 1 252 26 26 ASP H H 8.165 0.030 1 253 26 26 ASP HA H 4.615 0.030 1 254 26 26 ASP HB2 H 2.531 0.030 2 255 26 26 ASP HB3 H 2.680 0.030 2 256 26 26 ASP C C 175.476 0.300 1 257 26 26 ASP CA C 54.062 0.300 1 258 26 26 ASP CB C 41.678 0.300 1 259 26 26 ASP N N 120.544 0.300 1 260 27 27 LYS H H 8.342 0.030 1 261 27 27 LYS HA H 4.443 0.030 1 262 27 27 LYS HB2 H 1.773 0.030 2 263 27 27 LYS HB3 H 1.734 0.030 2 264 27 27 LYS HD2 H 1.708 0.030 2 265 27 27 LYS HD3 H 1.671 0.030 2 266 27 27 LYS HE2 H 3.012 0.030 1 267 27 27 LYS HE3 H 3.012 0.030 1 268 27 27 LYS HG2 H 1.459 0.030 2 269 27 27 LYS HG3 H 1.395 0.030 2 270 27 27 LYS C C 174.177 0.300 1 271 27 27 LYS CA C 54.547 0.300 1 272 27 27 LYS CB C 32.018 0.300 1 273 27 27 LYS CD C 29.186 0.300 1 274 27 27 LYS CE C 42.218 0.300 1 275 27 27 LYS CG C 24.584 0.300 1 276 27 27 LYS N N 121.307 0.300 1 277 28 28 PRO HA H 4.397 0.030 1 278 28 28 PRO HB2 H 2.306 0.030 2 279 28 28 PRO HB3 H 1.968 0.030 2 280 28 28 PRO HD2 H 3.607 0.030 2 281 28 28 PRO HD3 H 3.697 0.030 2 282 28 28 PRO HG2 H 2.020 0.030 2 283 28 28 PRO HG3 H 1.977 0.030 2 284 28 28 PRO C C 177.024 0.300 1 285 28 28 PRO CA C 62.931 0.300 1 286 28 28 PRO CB C 32.822 0.300 1 287 28 28 PRO CD C 50.639 0.300 1 288 28 28 PRO CG C 27.335 0.300 1 289 29 29 LYS H H 8.731 0.030 1 290 29 29 LYS HA H 4.174 0.030 1 291 29 29 LYS HB2 H 1.683 0.030 2 292 29 29 LYS HB3 H 1.779 0.030 2 293 29 29 LYS HD2 H 1.715 0.030 2 294 29 29 LYS HD3 H 1.779 0.030 2 295 29 29 LYS HE2 H 2.990 0.030 2 296 29 29 LYS HE3 H 3.048 0.030 2 297 29 29 LYS HG2 H 1.390 0.030 2 298 29 29 LYS HG3 H 1.438 0.030 2 299 29 29 LYS C C 174.157 0.300 1 300 29 29 LYS CA C 56.468 0.300 1 301 29 29 LYS CB C 33.307 0.300 1 302 29 29 LYS CD C 28.950 0.300 1 303 29 29 LYS CE C 42.384 0.300 1 304 29 29 LYS CG C 25.035 0.300 1 305 29 29 LYS N N 123.432 0.300 1 306 30 30 LEU H H 7.763 0.030 1 307 30 30 LEU HA H 5.324 0.030 1 308 30 30 LEU HB2 H 1.273 0.030 2 309 30 30 LEU HB3 H 1.478 0.030 2 310 30 30 LEU HD1 H 0.450 0.030 1 311 30 30 LEU HD2 H 0.449 0.030 1 312 30 30 LEU HG H 1.495 0.030 1 313 30 30 LEU C C 176.487 0.300 1 314 30 30 LEU CA C 54.431 0.300 1 315 30 30 LEU CB C 45.038 0.300 1 316 30 30 LEU CD1 C 25.486 0.300 2 317 30 30 LEU CD2 C 24.774 0.300 2 318 30 30 LEU CG C 28.052 0.300 1 319 30 30 LEU N N 123.865 0.300 1 320 31 31 TYR H H 9.260 0.030 1 321 31 31 TYR HA H 4.826 0.030 1 322 31 31 TYR HB2 H 2.660 0.030 2 323 31 31 TYR HB3 H 2.991 0.030 2 324 31 31 TYR HD1 H 7.081 0.030 1 325 31 31 TYR HD2 H 7.081 0.030 1 326 31 31 TYR HE1 H 6.892 0.030 1 327 31 31 TYR HE2 H 6.892 0.030 1 328 31 31 TYR C C 175.129 0.300 1 329 31 31 TYR CA C 56.793 0.300 1 330 31 31 TYR CB C 40.075 0.300 1 331 31 31 TYR CD1 C 133.472 0.300 1 332 31 31 TYR CD2 C 133.472 0.300 1 333 31 31 TYR CE1 C 117.868 0.300 1 334 31 31 TYR CE2 C 117.868 0.300 1 335 31 31 TYR N N 123.156 0.300 1 336 32 32 ARG H H 8.804 0.030 1 337 32 32 ARG HA H 4.535 0.030 1 338 32 32 ARG HB2 H 1.634 0.030 2 339 32 32 ARG HB3 H 1.818 0.030 2 340 32 32 ARG HD2 H 3.157 0.030 2 341 32 32 ARG HD3 H 3.110 0.030 2 342 32 32 ARG HE H 7.445 0.030 1 343 32 32 ARG HG2 H 1.633 0.030 2 344 32 32 ARG HG3 H 1.501 0.030 2 345 32 32 ARG C C 176.408 0.300 1 346 32 32 ARG CA C 56.181 0.300 1 347 32 32 ARG CB C 30.850 0.300 1 348 32 32 ARG CD C 43.339 0.300 1 349 32 32 ARG CG C 28.208 0.300 1 350 32 32 ARG N N 123.893 0.300 1 351 32 32 ARG NE N 84.869 0.300 1 352 33 33 LEU H H 8.817 0.030 1 353 33 33 LEU HA H 4.605 0.030 1 354 33 33 LEU HB2 H 1.816 0.030 2 355 33 33 LEU HB3 H 1.432 0.030 2 356 33 33 LEU HD1 H 0.922 0.030 1 357 33 33 LEU HD2 H 0.787 0.030 1 358 33 33 LEU HG H 1.740 0.030 1 359 33 33 LEU C C 174.613 0.300 1 360 33 33 LEU CA C 53.530 0.300 1 361 33 33 LEU CB C 39.608 0.300 1 362 33 33 LEU CD1 C 26.690 0.300 2 363 33 33 LEU CD2 C 23.329 0.300 2 364 33 33 LEU CG C 26.920 0.300 1 365 33 33 LEU N N 125.023 0.300 1 366 34 34 GLN H H 8.197 0.030 1 367 34 34 GLN HA H 4.157 0.030 1 368 34 34 GLN HB2 H 1.914 0.030 2 369 34 34 GLN HB3 H 2.124 0.030 2 370 34 34 GLN HE21 H 6.841 0.030 2 371 34 34 GLN HE22 H 7.572 0.030 2 372 34 34 GLN HG2 H 2.386 0.030 1 373 34 34 GLN HG3 H 2.386 0.030 1 374 34 34 GLN C C 175.843 0.300 1 375 34 34 GLN CA C 55.441 0.300 1 376 34 34 GLN CB C 29.392 0.300 1 377 34 34 GLN CG C 33.193 0.300 1 378 34 34 GLN N N 120.817 0.300 1 379 34 34 GLN NE2 N 112.064 0.300 1 380 35 35 LEU H H 8.276 0.030 1 381 35 35 LEU HA H 4.411 0.030 1 382 35 35 LEU HB2 H 1.592 0.030 2 383 35 35 LEU HB3 H 1.695 0.030 2 384 35 35 LEU HD1 H 0.897 0.030 1 385 35 35 LEU HD2 H 0.971 0.030 1 386 35 35 LEU HG H 1.673 0.030 1 387 35 35 LEU C C 178.004 0.300 1 388 35 35 LEU CA C 55.430 0.300 1 389 35 35 LEU CB C 42.030 0.300 1 390 35 35 LEU CD1 C 22.930 0.300 2 391 35 35 LEU CD2 C 25.599 0.300 2 392 35 35 LEU CG C 27.377 0.300 1 393 35 35 LEU N N 119.504 0.300 1 394 36 36 SER H H 8.995 0.030 1 395 36 36 SER HA H 4.052 0.030 1 396 36 36 SER HB2 H 4.227 0.030 2 397 36 36 SER HB3 H 4.000 0.030 2 398 36 36 SER C C 174.544 0.300 1 399 36 36 SER CA C 59.689 0.300 1 400 36 36 SER CB C 62.433 0.300 1 401 36 36 SER N N 116.731 0.300 1 402 37 37 VAL H H 7.874 0.030 1 403 37 37 VAL HA H 4.548 0.030 1 404 37 37 VAL HB H 1.903 0.030 1 405 37 37 VAL HG1 H 0.671 0.030 1 406 37 37 VAL HG2 H 0.898 0.030 1 407 37 37 VAL C C 175.674 0.300 1 408 37 37 VAL CA C 62.935 0.300 1 409 37 37 VAL CB C 33.783 0.300 1 410 37 37 VAL CG1 C 21.080 0.300 2 411 37 37 VAL CG2 C 21.877 0.300 2 412 37 37 VAL N N 122.310 0.300 1 413 38 38 THR H H 9.420 0.030 1 414 38 38 THR HA H 4.320 0.030 1 415 38 38 THR HB H 3.961 0.030 1 416 38 38 THR HG2 H 1.159 0.030 1 417 38 38 THR C C 173.612 0.300 1 418 38 38 THR CA C 62.484 0.300 1 419 38 38 THR CB C 70.128 0.300 1 420 38 38 THR CG2 C 21.226 0.300 1 421 38 38 THR N N 126.592 0.300 1 422 39 39 GLU H H 8.657 0.030 1 423 39 39 GLU HA H 4.781 0.030 1 424 39 39 GLU HB2 H 1.312 0.030 2 425 39 39 GLU HB3 H 1.767 0.030 2 426 39 39 GLU HG2 H 2.037 0.030 2 427 39 39 GLU HG3 H 1.694 0.030 2 428 39 39 GLU C C 174.722 0.300 1 429 39 39 GLU CA C 56.873 0.300 1 430 39 39 GLU CB C 30.383 0.300 1 431 39 39 GLU CG C 35.121 0.300 1 432 39 39 GLU N N 127.733 0.300 1 433 40 40 VAL H H 8.277 0.030 1 434 40 40 VAL HA H 5.007 0.030 1 435 40 40 VAL HB H 1.855 0.030 1 436 40 40 VAL HG1 H 0.377 0.030 1 437 40 40 VAL HG2 H -0.124 0.030 1 438 40 40 VAL C C 176.743 0.300 1 439 40 40 VAL CA C 59.927 0.300 1 440 40 40 VAL CB C 34.198 0.300 1 441 40 40 VAL CG1 C 21.101 0.300 2 442 40 40 VAL CG2 C 19.621 0.300 2 443 40 40 VAL N N 119.770 0.300 1 444 41 41 GLY H H 8.145 0.030 1 445 41 41 GLY HA2 H 3.908 0.030 2 446 41 41 GLY HA3 H 4.868 0.030 2 447 41 41 GLY C C 171.867 0.300 1 448 41 41 GLY CA C 45.800 0.300 1 449 41 41 GLY N N 112.981 0.300 1 450 42 42 THR H H 8.174 0.030 1 451 42 42 THR HA H 4.352 0.030 1 452 42 42 THR HB H 4.395 0.030 1 453 42 42 THR HG2 H 1.294 0.030 1 454 42 42 THR C C 176.884 0.300 1 455 42 42 THR CA C 63.292 0.300 1 456 42 42 THR CB C 69.280 0.300 1 457 42 42 THR CG2 C 22.345 0.300 1 458 42 42 THR N N 110.613 0.300 1 459 43 43 GLU H H 8.039 0.030 1 460 43 43 GLU HA H 4.230 0.030 1 461 43 43 GLU HB2 H 1.460 0.030 1 462 43 43 GLU HB3 H 1.460 0.030 1 463 43 43 GLU HG2 H 1.934 0.030 2 464 43 43 GLU HG3 H 1.787 0.030 2 465 43 43 GLU C C 174.128 0.300 1 466 43 43 GLU CA C 55.144 0.300 1 467 43 43 GLU CB C 30.620 0.300 1 468 43 43 GLU CG C 35.906 0.300 1 469 43 43 GLU N N 124.164 0.300 1 470 44 44 LYS H H 8.286 0.030 1 471 44 44 LYS HA H 4.054 0.030 1 472 44 44 LYS HB2 H 1.373 0.030 2 473 44 44 LYS HB3 H 1.748 0.030 2 474 44 44 LYS HD2 H 1.518 0.030 2 475 44 44 LYS HD3 H 1.596 0.030 2 476 44 44 LYS HE2 H 2.973 0.030 1 477 44 44 LYS HE3 H 2.973 0.030 1 478 44 44 LYS HG2 H 1.206 0.030 1 479 44 44 LYS HG3 H 1.206 0.030 1 480 44 44 LYS C C 175.925 0.300 1 481 44 44 LYS CA C 55.024 0.300 1 482 44 44 LYS CB C 33.153 0.300 1 483 44 44 LYS CD C 29.407 0.300 1 484 44 44 LYS CE C 42.404 0.300 1 485 44 44 LYS CG C 24.896 0.300 1 486 44 44 LYS N N 121.889 0.300 1 487 45 45 PHE H H 7.958 0.030 1 488 45 45 PHE HA H 4.391 0.030 1 489 45 45 PHE HB2 H 2.672 0.030 2 490 45 45 PHE HB3 H 3.026 0.030 2 491 45 45 PHE HD1 H 7.050 0.030 1 492 45 45 PHE HD2 H 7.050 0.030 1 493 45 45 PHE HE1 H 7.076 0.030 1 494 45 45 PHE HE2 H 7.076 0.030 1 495 45 45 PHE HZ H 6.957 0.030 1 496 45 45 PHE C C 174.227 0.300 1 497 45 45 PHE CA C 59.180 0.300 1 498 45 45 PHE CB C 39.961 0.300 1 499 45 45 PHE CD1 C 131.667 0.300 1 500 45 45 PHE CD2 C 131.667 0.300 1 501 45 45 PHE CE1 C 130.915 0.300 1 502 45 45 PHE CE2 C 130.915 0.300 1 503 45 45 PHE CZ C 129.110 0.300 1 504 45 45 PHE N N 126.010 0.300 1 505 46 46 ASP H H 8.136 0.030 1 506 46 46 ASP HA H 4.613 0.030 1 507 46 46 ASP HB2 H 2.922 0.030 2 508 46 46 ASP HB3 H 2.882 0.030 2 509 46 46 ASP C C 176.172 0.300 1 510 46 46 ASP CA C 53.517 0.300 1 511 46 46 ASP CB C 41.877 0.300 1 512 46 46 ASP N N 117.697 0.300 1 513 47 47 ASP H H 8.569 0.030 1 514 47 47 ASP HA H 4.468 0.030 1 515 47 47 ASP HB2 H 2.610 0.030 2 516 47 47 ASP HB3 H 2.769 0.030 2 517 47 47 ASP C C 176.735 0.300 1 518 47 47 ASP CA C 56.874 0.300 1 519 47 47 ASP CB C 40.877 0.300 1 520 47 47 ASP N N 118.105 0.300 1 521 48 48 ASN H H 8.666 0.030 1 522 48 48 ASN HA H 4.914 0.030 1 523 48 48 ASN HB2 H 2.840 0.030 2 524 48 48 ASN HB3 H 3.038 0.030 2 525 48 48 ASN HD21 H 7.006 0.030 2 526 48 48 ASN HD22 H 7.807 0.030 2 527 48 48 ASN C C 174.841 0.300 1 528 48 48 ASN CA C 53.670 0.300 1 529 48 48 ASN CB C 39.483 0.300 1 530 48 48 ASN N N 116.324 0.300 1 531 48 48 ASN ND2 N 115.060 0.300 1 532 49 49 SER H H 7.737 0.030 1 533 49 49 SER HA H 4.681 0.030 1 534 49 49 SER HB2 H 4.163 0.030 1 535 49 49 SER HB3 H 4.163 0.030 1 536 49 49 SER C C 173.186 0.300 1 537 49 49 SER CA C 59.655 0.300 1 538 49 49 SER CB C 64.148 0.300 1 539 49 49 SER N N 116.356 0.300 1 540 50 50 ILE H H 8.789 0.030 1 541 50 50 ILE HA H 3.777 0.030 1 542 50 50 ILE HB H 1.452 0.030 1 543 50 50 ILE HD1 H 0.292 0.030 1 544 50 50 ILE HG12 H 1.357 0.030 2 545 50 50 ILE HG13 H 0.426 0.030 2 546 50 50 ILE HG2 H -0.098 0.030 1 547 50 50 ILE C C 174.206 0.300 1 548 50 50 ILE CA C 61.732 0.300 1 549 50 50 ILE CB C 38.343 0.300 1 550 50 50 ILE CD1 C 13.502 0.300 1 551 50 50 ILE CG1 C 26.387 0.300 1 552 50 50 ILE CG2 C 15.069 0.300 1 553 50 50 ILE N N 123.188 0.300 1 554 51 51 GLN H H 8.364 0.030 1 555 51 51 GLN HA H 5.169 0.030 1 556 51 51 GLN HB2 H 1.403 0.030 2 557 51 51 GLN HB3 H 2.008 0.030 2 558 51 51 GLN HE21 H 7.030 0.030 2 559 51 51 GLN HE22 H 7.596 0.030 2 560 51 51 GLN HG2 H 1.486 0.030 2 561 51 51 GLN HG3 H 1.766 0.030 2 562 51 51 GLN C C 174.177 0.300 1 563 51 51 GLN CA C 53.641 0.300 1 564 51 51 GLN CB C 29.600 0.300 1 565 51 51 GLN CG C 33.931 0.300 1 566 51 51 GLN N N 130.821 0.300 1 567 51 51 GLN NE2 N 113.434 0.300 1 568 52 52 LEU H H 7.518 0.030 1 569 52 52 LEU HA H 4.322 0.030 1 570 52 52 LEU HB2 H 0.904 0.030 2 571 52 52 LEU HB3 H 0.713 0.030 2 572 52 52 LEU HD1 H 0.546 0.030 1 573 52 52 LEU HD2 H 0.327 0.030 1 574 52 52 LEU HG H 1.042 0.030 1 575 52 52 LEU C C 172.996 0.300 1 576 52 52 LEU CA C 52.342 0.300 1 577 52 52 LEU CB C 46.182 0.300 1 578 52 52 LEU CD1 C 23.042 0.300 2 579 52 52 LEU CD2 C 26.950 0.300 2 580 52 52 LEU CG C 26.238 0.300 1 581 52 52 LEU N N 127.139 0.300 1 582 53 53 PHE H H 8.167 0.030 1 583 53 53 PHE HA H 4.879 0.030 1 584 53 53 PHE HB2 H 2.789 0.030 2 585 53 53 PHE HB3 H 3.210 0.030 2 586 53 53 PHE HD1 H 7.273 0.030 1 587 53 53 PHE HD2 H 7.273 0.030 1 588 53 53 PHE HE1 H 7.304 0.030 1 589 53 53 PHE HE2 H 7.304 0.030 1 590 53 53 PHE HZ H 7.163 0.030 1 591 53 53 PHE C C 176.130 0.300 1 592 53 53 PHE CA C 56.034 0.300 1 593 53 53 PHE CB C 41.984 0.300 1 594 53 53 PHE CD1 C 131.968 0.300 1 595 53 53 PHE CD2 C 131.968 0.300 1 596 53 53 PHE CE1 C 130.832 0.300 1 597 53 53 PHE CE2 C 130.832 0.300 1 598 53 53 PHE CZ C 129.261 0.300 1 599 53 53 PHE N N 113.873 0.300 1 600 54 54 GLY H H 8.548 0.030 1 601 54 54 GLY HA2 H 4.055 0.030 2 602 54 54 GLY HA3 H 4.559 0.030 2 603 54 54 GLY C C 171.282 0.300 1 604 54 54 GLY CA C 44.554 0.300 1 605 54 54 GLY N N 111.121 0.300 1 606 55 55 PRO HA H 4.406 0.030 1 607 55 55 PRO HB2 H 2.087 0.030 2 608 55 55 PRO HB3 H 2.269 0.030 2 609 55 55 PRO HD2 H 3.563 0.030 2 610 55 55 PRO HD3 H 3.706 0.030 2 611 55 55 PRO HG2 H 2.116 0.030 2 612 55 55 PRO HG3 H 2.028 0.030 2 613 55 55 PRO C C 178.726 0.300 1 614 55 55 PRO CA C 64.246 0.300 1 615 55 55 PRO CB C 31.500 0.300 1 616 55 55 PRO CD C 49.936 0.300 1 617 55 55 PRO CG C 27.627 0.300 1 618 56 56 GLY H H 9.126 0.030 1 619 56 56 GLY HA2 H 4.415 0.030 2 620 56 56 GLY HA3 H 3.949 0.030 2 621 56 56 GLY C C 174.693 0.300 1 622 56 56 GLY CA C 45.805 0.300 1 623 56 56 GLY N N 113.399 0.300 1 624 57 57 ILE H H 7.664 0.030 1 625 57 57 ILE HA H 4.582 0.030 1 626 57 57 ILE HB H 1.862 0.030 1 627 57 57 ILE HD1 H 0.285 0.030 1 628 57 57 ILE HG12 H 0.978 0.030 2 629 57 57 ILE HG13 H 0.909 0.030 2 630 57 57 ILE HG2 H 0.695 0.030 1 631 57 57 ILE C C 176.933 0.300 1 632 57 57 ILE CA C 59.356 0.300 1 633 57 57 ILE CB C 34.871 0.300 1 634 57 57 ILE CD1 C 10.296 0.300 1 635 57 57 ILE CG1 C 26.389 0.300 1 636 57 57 ILE CG2 C 16.752 0.300 1 637 57 57 ILE N N 120.505 0.300 1 638 58 58 GLN H H 10.357 0.030 1 639 58 58 GLN HA H 4.731 0.030 1 640 58 58 GLN HB2 H 1.481 0.030 2 641 58 58 GLN HB3 H 2.416 0.030 2 642 58 58 GLN HE21 H 6.984 0.030 2 643 58 58 GLN HE22 H 7.091 0.030 2 644 58 58 GLN HG2 H 2.544 0.030 2 645 58 58 GLN HG3 H 2.191 0.030 2 646 58 58 GLN C C 174.584 0.300 1 647 58 58 GLN CA C 54.059 0.300 1 648 58 58 GLN CB C 27.772 0.300 1 649 58 58 GLN CG C 33.625 0.300 1 650 58 58 GLN N N 130.608 0.300 1 651 58 58 GLN NE2 N 113.717 0.300 1 652 59 59 PRO HA H 4.902 0.030 1 653 59 59 PRO HB2 H 1.923 0.030 2 654 59 59 PRO HB3 H 2.320 0.030 2 655 59 59 PRO HD2 H 3.870 0.030 2 656 59 59 PRO HD3 H 3.765 0.030 2 657 59 59 PRO HG2 H 2.208 0.030 2 658 59 59 PRO HG3 H 1.915 0.030 2 659 59 59 PRO C C 176.399 0.300 1 660 59 59 PRO CA C 66.094 0.300 1 661 59 59 PRO CB C 31.743 0.300 1 662 59 59 PRO CD C 50.373 0.300 1 663 59 59 PRO CG C 28.264 0.300 1 664 60 60 HIS H H 7.894 0.030 1 665 60 60 HIS HA H 4.920 0.030 1 666 60 60 HIS HB2 H 2.992 0.030 2 667 60 60 HIS HB3 H 3.272 0.030 2 668 60 60 HIS HD2 H 6.652 0.030 1 669 60 60 HIS HE1 H 8.311 0.030 1 670 60 60 HIS C C 172.343 0.300 1 671 60 60 HIS CA C 53.149 0.300 1 672 60 60 HIS CB C 29.422 0.300 1 673 60 60 HIS CD2 C 115.875 0.300 1 674 60 60 HIS CE1 C 136.781 0.300 1 675 60 60 HIS N N 112.965 0.300 1 676 61 61 HIS H H 9.673 0.030 1 677 61 61 HIS HA H 3.945 0.030 1 678 61 61 HIS HB2 H 2.919 0.030 2 679 61 61 HIS HB3 H 3.197 0.030 2 680 61 61 HIS HD2 H 6.692 0.030 1 681 61 61 HIS HE1 H 8.172 0.030 1 682 61 61 HIS C C 176.880 0.300 1 683 61 61 HIS CA C 60.258 0.300 1 684 61 61 HIS CB C 35.192 0.300 1 685 61 61 HIS CD2 C 116.176 0.300 1 686 61 61 HIS CE1 C 139.488 0.300 1 687 61 61 HIS N N 126.932 0.300 1 688 62 62 CYS H H 8.205 0.030 1 689 62 62 CYS HA H 4.785 0.030 1 690 62 62 CYS HB2 H 2.698 0.030 2 691 62 62 CYS HB3 H 2.930 0.030 2 692 62 62 CYS C C 169.490 0.300 1 693 62 62 CYS CA C 55.771 0.300 1 694 62 62 CYS CB C 30.178 0.300 1 695 62 62 CYS N N 110.970 0.300 1 696 63 63 ASP H H 8.145 0.030 1 697 63 63 ASP HA H 5.547 0.030 1 698 63 63 ASP HB2 H 2.173 0.030 2 699 63 63 ASP HB3 H 2.322 0.030 2 700 63 63 ASP C C 175.605 0.300 1 701 63 63 ASP CA C 53.365 0.300 1 702 63 63 ASP CB C 44.135 0.300 1 703 63 63 ASP N N 116.989 0.300 1 704 64 64 LEU H H 9.303 0.030 1 705 64 64 LEU HA H 5.445 0.030 1 706 64 64 LEU HB2 H 1.220 0.030 2 707 64 64 LEU HB3 H 1.774 0.030 2 708 64 64 LEU HD1 H 0.707 0.030 1 709 64 64 LEU HD2 H 0.732 0.030 1 710 64 64 LEU HG H 1.527 0.030 1 711 64 64 LEU C C 175.813 0.300 1 712 64 64 LEU CA C 53.746 0.300 1 713 64 64 LEU CB C 43.158 0.300 1 714 64 64 LEU CD1 C 27.286 0.300 2 715 64 64 LEU CD2 C 25.677 0.300 2 716 64 64 LEU CG C 28.255 0.300 1 717 64 64 LEU N N 124.976 0.300 1 718 65 65 THR H H 8.906 0.030 1 719 65 65 THR HA H 4.905 0.030 1 720 65 65 THR HB H 3.913 0.030 1 721 65 65 THR HG2 H 1.025 0.030 1 722 65 65 THR C C 172.531 0.300 1 723 65 65 THR CA C 61.752 0.300 1 724 65 65 THR CB C 69.278 0.300 1 725 65 65 THR CG2 C 21.609 0.300 1 726 65 65 THR N N 121.123 0.300 1 727 66 66 ASN H H 8.761 0.030 1 728 66 66 ASN HA H 5.197 0.030 1 729 66 66 ASN HB2 H 3.525 0.030 2 730 66 66 ASN HB3 H 2.253 0.030 2 731 66 66 ASN HD21 H 6.904 0.030 2 732 66 66 ASN HD22 H 6.762 0.030 2 733 66 66 ASN C C 174.980 0.300 1 734 66 66 ASN CA C 51.314 0.300 1 735 66 66 ASN CB C 39.126 0.300 1 736 66 66 ASN N N 124.771 0.300 1 737 66 66 ASN ND2 N 106.149 0.300 1 738 67 67 MET H H 8.760 0.030 1 739 67 67 MET HA H 4.721 0.030 1 740 67 67 MET HB2 H 2.014 0.030 2 741 67 67 MET HB3 H 1.892 0.030 2 742 67 67 MET HE H 2.041 0.030 1 743 67 67 MET HG2 H 2.465 0.030 2 744 67 67 MET HG3 H 2.445 0.030 2 745 67 67 MET C C 175.615 0.300 1 746 67 67 MET CA C 54.487 0.300 1 747 67 67 MET CB C 33.832 0.300 1 748 67 67 MET CE C 16.613 0.300 1 749 67 67 MET CG C 31.823 0.300 1 750 67 67 MET N N 123.748 0.300 1 751 68 68 ASP H H 8.745 0.030 1 752 68 68 ASP HA H 4.260 0.030 1 753 68 68 ASP HB2 H 2.587 0.030 2 754 68 68 ASP HB3 H 2.981 0.030 2 755 68 68 ASP C C 175.089 0.300 1 756 68 68 ASP CA C 55.608 0.300 1 757 68 68 ASP CB C 39.892 0.300 1 758 68 68 ASP N N 123.758 0.300 1 759 69 69 GLY H H 8.582 0.030 1 760 69 69 GLY HA2 H 3.702 0.030 2 761 69 69 GLY HA3 H 4.228 0.030 2 762 69 69 GLY C C 174.068 0.300 1 763 69 69 GLY CA C 45.607 0.300 1 764 69 69 GLY N N 105.033 0.300 1 765 70 70 VAL H H 7.710 0.030 1 766 70 70 VAL HA H 4.260 0.030 1 767 70 70 VAL HB H 2.116 0.030 1 768 70 70 VAL HG1 H 0.942 0.030 1 769 70 70 VAL HG2 H 0.920 0.030 1 770 70 70 VAL C C 174.802 0.300 1 771 70 70 VAL CA C 61.561 0.300 1 772 70 70 VAL CB C 33.722 0.300 1 773 70 70 VAL CG1 C 20.824 0.300 2 774 70 70 VAL CG2 C 21.386 0.300 2 775 70 70 VAL N N 121.707 0.300 1 776 71 71 VAL H H 9.435 0.030 1 777 71 71 VAL HA H 5.493 0.030 1 778 71 71 VAL HB H 1.657 0.030 1 779 71 71 VAL HG1 H 0.913 0.030 1 780 71 71 VAL HG2 H 0.570 0.030 1 781 71 71 VAL C C 175.198 0.300 1 782 71 71 VAL CA C 60.051 0.300 1 783 71 71 VAL CB C 32.532 0.300 1 784 71 71 VAL CG1 C 21.777 0.300 2 785 71 71 VAL CG2 C 22.062 0.300 2 786 71 71 VAL N N 128.967 0.300 1 787 72 72 THR H H 8.650 0.030 1 788 72 72 THR HA H 5.182 0.030 1 789 72 72 THR HB H 3.843 0.030 1 790 72 72 THR HG2 H 0.963 0.030 1 791 72 72 THR C C 173.713 0.300 1 792 72 72 THR CA C 57.803 0.300 1 793 72 72 THR CB C 72.892 0.300 1 794 72 72 THR CG2 C 20.974 0.300 1 795 72 72 THR N N 114.168 0.300 1 796 73 73 VAL H H 8.946 0.030 1 797 73 73 VAL HA H 5.373 0.030 1 798 73 73 VAL HB H 1.826 0.030 1 799 73 73 VAL HG1 H 0.915 0.030 1 800 73 73 VAL HG2 H 0.921 0.030 1 801 73 73 VAL C C 173.265 0.300 1 802 73 73 VAL CA C 58.391 0.300 1 803 73 73 VAL CB C 34.932 0.300 1 804 73 73 VAL CG1 C 19.621 0.300 2 805 73 73 VAL CG2 C 22.792 0.300 2 806 73 73 VAL N N 117.927 0.300 1 807 74 74 THR H H 8.775 0.030 1 808 74 74 THR HA H 4.715 0.030 1 809 74 74 THR HB H 3.712 0.030 1 810 74 74 THR HG2 H 1.131 0.030 1 811 74 74 THR C C 172.521 0.300 1 812 74 74 THR CA C 59.599 0.300 1 813 74 74 THR CB C 72.464 0.300 1 814 74 74 THR CG2 C 20.674 0.300 1 815 74 74 THR N N 123.191 0.300 1 816 75 75 PRO HA H 4.409 0.030 1 817 75 75 PRO HB2 H 2.464 0.030 2 818 75 75 PRO HB3 H 1.938 0.030 2 819 75 75 PRO HD2 H 3.531 0.030 2 820 75 75 PRO HD3 H 3.456 0.030 2 821 75 75 PRO HG2 H 1.561 0.030 2 822 75 75 PRO HG3 H 1.855 0.030 2 823 75 75 PRO C C 176.589 0.300 1 824 75 75 PRO CA C 62.940 0.300 1 825 75 75 PRO CB C 33.021 0.300 1 826 75 75 PRO CD C 51.155 0.300 1 827 75 75 PRO CG C 27.851 0.300 1 828 76 76 ARG H H 7.553 0.030 1 829 76 76 ARG HA H 4.301 0.030 1 830 76 76 ARG HB2 H 0.833 0.030 2 831 76 76 ARG HB3 H 1.429 0.030 2 832 76 76 ARG HD2 H 2.740 0.030 2 833 76 76 ARG HD3 H 2.837 0.030 2 834 76 76 ARG HE H 7.134 0.030 1 835 76 76 ARG HG2 H 0.806 0.030 2 836 76 76 ARG HG3 H 0.975 0.030 2 837 76 76 ARG C C 174.732 0.300 1 838 76 76 ARG CA C 54.247 0.300 1 839 76 76 ARG CB C 29.803 0.300 1 840 76 76 ARG CD C 41.373 0.300 1 841 76 76 ARG CG C 25.921 0.300 1 842 76 76 ARG N N 119.900 0.300 1 843 76 76 ARG NE N 82.547 0.300 1 844 77 77 SER H H 7.096 0.030 1 845 77 77 SER HA H 4.553 0.030 1 846 77 77 SER HB2 H 3.607 0.030 2 847 77 77 SER HB3 H 4.077 0.030 2 848 77 77 SER C C 175.595 0.300 1 849 77 77 SER CA C 57.190 0.300 1 850 77 77 SER CB C 64.774 0.300 1 851 77 77 SER N N 110.581 0.300 1 852 78 78 MET H H 9.097 0.030 1 853 78 78 MET HA H 4.264 0.030 1 854 78 78 MET HB2 H 2.073 0.030 1 855 78 78 MET HB3 H 2.073 0.030 1 856 78 78 MET HE H 2.088 0.030 1 857 78 78 MET HG2 H 2.574 0.030 2 858 78 78 MET HG3 H 2.649 0.030 2 859 78 78 MET C C 175.982 0.300 1 860 78 78 MET CA C 57.498 0.300 1 861 78 78 MET CB C 31.929 0.300 1 862 78 78 MET CE C 16.914 0.300 1 863 78 78 MET CG C 32.008 0.300 1 864 78 78 MET N N 124.305 0.300 1 865 79 79 ASP H H 7.998 0.030 1 866 79 79 ASP HA H 4.642 0.030 1 867 79 79 ASP HB2 H 2.416 0.030 2 868 79 79 ASP HB3 H 2.713 0.030 2 869 79 79 ASP C C 174.673 0.300 1 870 79 79 ASP CA C 53.758 0.300 1 871 79 79 ASP CB C 40.945 0.300 1 872 79 79 ASP N N 115.559 0.300 1 873 80 80 ALA H H 7.058 0.030 1 874 80 80 ALA HA H 4.303 0.030 1 875 80 80 ALA HB H 0.534 0.030 1 876 80 80 ALA C C 176.027 0.300 1 877 80 80 ALA CA C 50.748 0.300 1 878 80 80 ALA CB C 19.333 0.300 1 879 80 80 ALA N N 122.660 0.300 1 880 81 81 GLU H H 9.347 0.030 1 881 81 81 GLU HA H 3.993 0.030 1 882 81 81 GLU HB2 H 1.936 0.030 2 883 81 81 GLU HB3 H 2.198 0.030 2 884 81 81 GLU HG2 H 2.077 0.030 2 885 81 81 GLU HG3 H 2.319 0.030 2 886 81 81 GLU C C 176.695 0.300 1 887 81 81 GLU CA C 57.786 0.300 1 888 81 81 GLU CB C 30.464 0.300 1 889 81 81 GLU CG C 35.818 0.300 1 890 81 81 GLU N N 126.864 0.300 1 891 82 82 THR H H 9.142 0.030 1 892 82 82 THR HA H 5.397 0.030 1 893 82 82 THR HB H 3.792 0.030 1 894 82 82 THR HG2 H 1.228 0.030 1 895 82 82 THR C C 171.937 0.300 1 896 82 82 THR CA C 63.229 0.300 1 897 82 82 THR CB C 70.756 0.300 1 898 82 82 THR CG2 C 22.586 0.300 1 899 82 82 THR N N 128.953 0.300 1 900 83 83 TYR H H 9.358 0.030 1 901 83 83 TYR HA H 5.275 0.030 1 902 83 83 TYR HB2 H 2.329 0.030 2 903 83 83 TYR HB3 H 2.879 0.030 2 904 83 83 TYR HD1 H 6.757 0.030 1 905 83 83 TYR HD2 H 6.757 0.030 1 906 83 83 TYR HE1 H 6.810 0.030 1 907 83 83 TYR HE2 H 6.810 0.030 1 908 83 83 TYR C C 175.635 0.300 1 909 83 83 TYR CA C 55.486 0.300 1 910 83 83 TYR CB C 41.599 0.300 1 911 83 83 TYR CD1 C 132.870 0.300 1 912 83 83 TYR CD2 C 132.870 0.300 1 913 83 83 TYR CE1 C 118.282 0.300 1 914 83 83 TYR CE2 C 118.282 0.300 1 915 83 83 TYR N N 124.397 0.300 1 916 84 84 VAL H H 8.896 0.030 1 917 84 84 VAL HA H 4.798 0.030 1 918 84 84 VAL HB H 1.915 0.030 1 919 84 84 VAL HG1 H 0.819 0.030 1 920 84 84 VAL HG2 H 0.939 0.030 1 921 84 84 VAL C C 176.348 0.300 1 922 84 84 VAL CA C 61.315 0.300 1 923 84 84 VAL CB C 33.588 0.300 1 924 84 84 VAL CG1 C 22.480 0.300 2 925 84 84 VAL CG2 C 22.790 0.300 2 926 84 84 VAL N N 121.936 0.300 1 927 85 85 ASP H H 10.123 0.030 1 928 85 85 ASP HA H 4.442 0.030 1 929 85 85 ASP HB2 H 2.645 0.030 2 930 85 85 ASP HB3 H 3.089 0.030 2 931 85 85 ASP C C 176.467 0.300 1 932 85 85 ASP CA C 55.922 0.300 1 933 85 85 ASP CB C 39.559 0.300 1 934 85 85 ASP N N 131.446 0.300 1 935 86 86 GLY H H 9.221 0.030 1 936 86 86 GLY HA2 H 4.174 0.030 2 937 86 86 GLY HA3 H 3.560 0.030 2 938 86 86 GLY C C 173.741 0.300 1 939 86 86 GLY CA C 45.377 0.300 1 940 86 86 GLY N N 102.736 0.300 1 941 87 87 GLN H H 8.016 0.030 1 942 87 87 GLN HA H 4.765 0.030 1 943 87 87 GLN HB2 H 2.100 0.030 2 944 87 87 GLN HB3 H 2.197 0.030 2 945 87 87 GLN HE21 H 6.927 0.030 2 946 87 87 GLN HE22 H 7.617 0.030 2 947 87 87 GLN HG2 H 2.352 0.030 2 948 87 87 GLN HG3 H 2.405 0.030 2 949 87 87 GLN C C 175.109 0.300 1 950 87 87 GLN CA C 53.919 0.300 1 951 87 87 GLN CB C 30.460 0.300 1 952 87 87 GLN CG C 33.479 0.300 1 953 87 87 GLN N N 120.473 0.300 1 954 87 87 GLN NE2 N 112.680 0.300 1 955 88 88 ARG H H 9.136 0.030 1 956 88 88 ARG HA H 4.028 0.030 1 957 88 88 ARG HB2 H 1.740 0.030 2 958 88 88 ARG HB3 H 1.587 0.030 2 959 88 88 ARG HD2 H 2.901 0.030 1 960 88 88 ARG HD3 H 2.901 0.030 1 961 88 88 ARG HE H 7.516 0.030 1 962 88 88 ARG HG2 H 1.139 0.030 2 963 88 88 ARG HG3 H 1.490 0.030 2 964 88 88 ARG C C 177.181 0.300 1 965 88 88 ARG CA C 56.726 0.300 1 966 88 88 ARG CB C 29.707 0.300 1 967 88 88 ARG CD C 43.126 0.300 1 968 88 88 ARG CG C 27.443 0.300 1 969 88 88 ARG N N 128.029 0.300 1 970 88 88 ARG NE N 85.867 0.300 1 971 89 89 ILE H H 8.291 0.030 1 972 89 89 ILE HA H 4.827 0.030 1 973 89 89 ILE HB H 2.050 0.030 1 974 89 89 ILE HD1 H 0.805 0.030 1 975 89 89 ILE HG12 H 1.060 0.030 2 976 89 89 ILE HG13 H 1.339 0.030 2 977 89 89 ILE HG2 H 1.036 0.030 1 978 89 89 ILE C C 175.863 0.300 1 979 89 89 ILE CA C 60.348 0.300 1 980 89 89 ILE CB C 40.500 0.300 1 981 89 89 ILE CD1 C 15.796 0.300 1 982 89 89 ILE CG1 C 25.873 0.300 1 983 89 89 ILE CG2 C 19.170 0.300 1 984 89 89 ILE N N 121.747 0.300 1 985 90 90 SER H H 9.294 0.030 1 986 90 90 SER HA H 4.686 0.030 1 987 90 90 SER HB2 H 3.751 0.030 2 988 90 90 SER HB3 H 3.923 0.030 2 989 90 90 SER C C 173.146 0.300 1 990 90 90 SER CA C 57.808 0.300 1 991 90 90 SER CB C 64.995 0.300 1 992 90 90 SER N N 114.814 0.300 1 993 91 91 GLU H H 7.626 0.030 1 994 91 91 GLU HA H 4.747 0.030 1 995 91 91 GLU HB2 H 1.978 0.030 2 996 91 91 GLU HB3 H 2.196 0.030 2 997 91 91 GLU HG2 H 2.159 0.030 2 998 91 91 GLU HG3 H 2.195 0.030 2 999 91 91 GLU C C 174.662 0.300 1 1000 91 91 GLU CA C 54.114 0.300 1 1001 91 91 GLU CB C 33.183 0.300 1 1002 91 91 GLU CG C 34.763 0.300 1 1003 91 91 GLU N N 119.074 0.300 1 1004 92 92 THR H H 8.687 0.030 1 1005 92 92 THR HA H 4.630 0.030 1 1006 92 92 THR HB H 3.906 0.030 1 1007 92 92 THR HG2 H 1.097 0.030 1 1008 92 92 THR C C 174.662 0.300 1 1009 92 92 THR CA C 64.966 0.300 1 1010 92 92 THR CB C 69.309 0.300 1 1011 92 92 THR CG2 C 21.877 0.300 1 1012 92 92 THR N N 118.361 0.300 1 1013 93 93 THR H H 8.991 0.030 1 1014 93 93 THR HA H 4.556 0.030 1 1015 93 93 THR HB H 3.827 0.030 1 1016 93 93 THR HG2 H 1.222 0.030 1 1017 93 93 THR C C 172.449 0.300 1 1018 93 93 THR CA C 62.359 0.300 1 1019 93 93 THR CB C 72.831 0.300 1 1020 93 93 THR CG2 C 19.741 0.300 1 1021 93 93 THR N N 125.680 0.300 1 1022 94 94 MET H H 8.968 0.030 1 1023 94 94 MET HA H 4.322 0.030 1 1024 94 94 MET HB2 H 1.956 0.030 1 1025 94 94 MET HB3 H 1.956 0.030 1 1026 94 94 MET HE H 2.039 0.030 1 1027 94 94 MET HG2 H 2.436 0.030 1 1028 94 94 MET HG3 H 2.436 0.030 1 1029 94 94 MET C C 174.465 0.300 1 1030 94 94 MET CA C 56.453 0.300 1 1031 94 94 MET CB C 33.372 0.300 1 1032 94 94 MET CE C 16.914 0.300 1 1033 94 94 MET CG C 31.652 0.300 1 1034 94 94 MET N N 128.224 0.300 1 1035 95 95 LEU H H 8.463 0.030 1 1036 95 95 LEU HA H 4.769 0.030 1 1037 95 95 LEU HB2 H 0.656 0.030 2 1038 95 95 LEU HB3 H 0.227 0.030 2 1039 95 95 LEU HD1 H 0.592 0.030 1 1040 95 95 LEU HD2 H 0.089 0.030 1 1041 95 95 LEU HG H 1.212 0.030 1 1042 95 95 LEU C C 175.674 0.300 1 1043 95 95 LEU CA C 53.033 0.300 1 1044 95 95 LEU CB C 43.015 0.300 1 1045 95 95 LEU CD1 C 24.354 0.300 2 1046 95 95 LEU CD2 C 25.987 0.300 2 1047 95 95 LEU CG C 26.539 0.300 1 1048 95 95 LEU N N 124.010 0.300 1 1049 96 96 GLN H H 8.378 0.030 1 1050 96 96 GLN HA H 4.892 0.030 1 1051 96 96 GLN HB2 H 1.859 0.030 2 1052 96 96 GLN HB3 H 2.210 0.030 2 1053 96 96 GLN HE21 H 7.577 0.030 2 1054 96 96 GLN HE22 H 6.900 0.030 2 1055 96 96 GLN HG2 H 2.391 0.030 2 1056 96 96 GLN HG3 H 2.345 0.030 2 1057 96 96 GLN C C 175.704 0.300 1 1058 96 96 GLN CA C 53.283 0.300 1 1059 96 96 GLN CB C 32.430 0.300 1 1060 96 96 GLN CG C 33.686 0.300 1 1061 96 96 GLN N N 119.759 0.300 1 1062 96 96 GLN NE2 N 112.094 0.300 1 1063 97 97 SER H H 9.229 0.030 1 1064 97 97 SER HA H 4.009 0.030 1 1065 97 97 SER HB2 H 4.022 0.030 2 1066 97 97 SER HB3 H 3.864 0.030 2 1067 97 97 SER C C 175.843 0.300 1 1068 97 97 SER CA C 60.972 0.300 1 1069 97 97 SER CB C 63.115 0.300 1 1070 97 97 SER N N 116.953 0.300 1 1071 98 98 GLY H H 9.860 0.030 1 1072 98 98 GLY HA2 H 4.642 0.030 2 1073 98 98 GLY HA3 H 3.483 0.030 2 1074 98 98 GLY C C 174.980 0.300 1 1075 98 98 GLY CA C 44.944 0.300 1 1076 98 98 GLY N N 116.906 0.300 1 1077 99 99 MET H H 8.101 0.030 1 1078 99 99 MET HA H 4.636 0.030 1 1079 99 99 MET HB2 H 1.916 0.030 1 1080 99 99 MET HB3 H 1.916 0.030 1 1081 99 99 MET HE H 2.146 0.030 1 1082 99 99 MET HG2 H 3.000 0.030 1 1083 99 99 MET HG3 H 3.000 0.030 1 1084 99 99 MET C C 174.782 0.300 1 1085 99 99 MET CA C 57.991 0.300 1 1086 99 99 MET CB C 34.640 0.300 1 1087 99 99 MET CE C 17.666 0.300 1 1088 99 99 MET CG C 33.847 0.300 1 1089 99 99 MET N N 120.445 0.300 1 1090 100 100 ARG H H 8.818 0.030 1 1091 100 100 ARG HA H 5.175 0.030 1 1092 100 100 ARG HB2 H 1.646 0.030 2 1093 100 100 ARG HB3 H 1.852 0.030 2 1094 100 100 ARG HD2 H 3.117 0.030 1 1095 100 100 ARG HD3 H 3.117 0.030 1 1096 100 100 ARG HE H 7.244 0.030 1 1097 100 100 ARG HG2 H 1.480 0.030 2 1098 100 100 ARG HG3 H 1.758 0.030 2 1099 100 100 ARG C C 175.793 0.300 1 1100 100 100 ARG CA C 54.769 0.300 1 1101 100 100 ARG CB C 32.315 0.300 1 1102 100 100 ARG CD C 43.634 0.300 1 1103 100 100 ARG CG C 28.363 0.300 1 1104 100 100 ARG N N 119.552 0.300 1 1105 100 100 ARG NE N 84.817 0.300 1 1106 101 101 LEU H H 9.494 0.030 1 1107 101 101 LEU HA H 5.332 0.030 1 1108 101 101 LEU HB2 H 1.149 0.030 2 1109 101 101 LEU HB3 H 1.257 0.030 2 1110 101 101 LEU HD1 H 0.827 0.030 1 1111 101 101 LEU HD2 H 0.800 0.030 1 1112 101 101 LEU HG H 1.319 0.030 1 1113 101 101 LEU C C 174.098 0.300 1 1114 101 101 LEU CA C 53.515 0.300 1 1115 101 101 LEU CB C 45.879 0.300 1 1116 101 101 LEU CD1 C 25.641 0.300 2 1117 101 101 LEU CD2 C 27.116 0.300 2 1118 101 101 LEU CG C 28.336 0.300 1 1119 101 101 LEU N N 126.676 0.300 1 1120 102 102 GLN H H 8.943 0.030 1 1121 102 102 GLN HA H 5.323 0.030 1 1122 102 102 GLN HB2 H 1.931 0.030 2 1123 102 102 GLN HB3 H 1.860 0.030 2 1124 102 102 GLN HE21 H 6.499 0.030 2 1125 102 102 GLN HE22 H 7.864 0.030 2 1126 102 102 GLN HG2 H 2.078 0.030 2 1127 102 102 GLN HG3 H 2.225 0.030 2 1128 102 102 GLN C C 174.128 0.300 1 1129 102 102 GLN CA C 53.374 0.300 1 1130 102 102 GLN CB C 32.511 0.300 1 1131 102 102 GLN CG C 32.997 0.300 1 1132 102 102 GLN N N 123.507 0.300 1 1133 102 102 GLN NE2 N 112.755 0.300 1 1134 103 103 PHE H H 8.627 0.030 1 1135 103 103 PHE HA H 5.493 0.030 1 1136 103 103 PHE HB2 H 2.312 0.030 2 1137 103 103 PHE HB3 H 2.590 0.030 2 1138 103 103 PHE HD1 H 7.156 0.030 1 1139 103 103 PHE HD2 H 7.156 0.030 1 1140 103 103 PHE HE1 H 6.822 0.030 1 1141 103 103 PHE HE2 H 6.822 0.030 1 1142 103 103 PHE HZ H 6.680 0.030 1 1143 103 103 PHE C C 175.734 0.300 1 1144 103 103 PHE CA C 53.904 0.300 1 1145 103 103 PHE CB C 40.561 0.300 1 1146 103 103 PHE CD1 C 131.366 0.300 1 1147 103 103 PHE CD2 C 131.366 0.300 1 1148 103 103 PHE CE1 C 130.765 0.300 1 1149 103 103 PHE CE2 C 130.765 0.300 1 1150 103 103 PHE CZ C 128.058 0.300 1 1151 103 103 PHE N N 124.831 0.300 1 1152 104 104 GLY H H 9.093 0.030 1 1153 104 104 GLY HA2 H 4.213 0.030 1 1154 104 104 GLY HA3 H 4.213 0.030 1 1155 104 104 GLY C C 173.463 0.300 1 1156 104 104 GLY CA C 46.532 0.300 1 1157 104 104 GLY N N 111.345 0.300 1 1158 105 105 THR H H 7.602 0.030 1 1159 105 105 THR HA H 4.321 0.030 1 1160 105 105 THR HB H 4.358 0.030 1 1161 105 105 THR HG2 H 1.203 0.030 1 1162 105 105 THR C C 176.854 0.300 1 1163 105 105 THR CA C 62.327 0.300 1 1164 105 105 THR CB C 69.312 0.300 1 1165 105 105 THR CG2 C 22.013 0.300 1 1166 105 105 THR N N 110.952 0.300 1 1167 106 106 SER H H 8.447 0.030 1 1168 106 106 SER HA H 4.656 0.030 1 1169 106 106 SER HB2 H 3.788 0.030 1 1170 106 106 SER HB3 H 3.788 0.030 1 1171 106 106 SER C C 173.612 0.300 1 1172 106 106 SER CA C 58.883 0.300 1 1173 106 106 SER CB C 65.822 0.300 1 1174 106 106 SER N N 112.366 0.300 1 1175 107 107 HIS H H 7.360 0.030 1 1176 107 107 HIS HA H 4.852 0.030 1 1177 107 107 HIS HB2 H 3.170 0.030 2 1178 107 107 HIS HB3 H 3.318 0.030 2 1179 107 107 HIS HD2 H 7.183 0.030 1 1180 107 107 HIS HE1 H 8.605 0.030 1 1181 107 107 HIS C C 172.531 0.300 1 1182 107 107 HIS CA C 56.065 0.300 1 1183 107 107 HIS CB C 32.014 0.300 1 1184 107 107 HIS CD2 C 120.086 0.300 1 1185 107 107 HIS CE1 C 138.285 0.300 1 1186 107 107 HIS N N 117.875 0.300 1 1187 108 108 VAL H H 8.885 0.030 1 1188 108 108 VAL HA H 4.772 0.030 1 1189 108 108 VAL HB H 1.781 0.030 1 1190 108 108 VAL HG1 H 0.771 0.030 1 1191 108 108 VAL HG2 H 0.855 0.030 1 1192 108 108 VAL C C 173.473 0.300 1 1193 108 108 VAL CA C 61.233 0.300 1 1194 108 108 VAL CB C 33.799 0.300 1 1195 108 108 VAL CG1 C 21.258 0.300 2 1196 108 108 VAL CG2 C 21.836 0.300 2 1197 108 108 VAL N N 124.994 0.300 1 1198 109 109 PHE H H 9.391 0.030 1 1199 109 109 PHE HA H 5.358 0.030 1 1200 109 109 PHE HB2 H 2.691 0.030 2 1201 109 109 PHE HB3 H 2.953 0.030 2 1202 109 109 PHE HD1 H 6.994 0.030 1 1203 109 109 PHE HD2 H 6.994 0.030 1 1204 109 109 PHE HE1 H 7.306 0.030 1 1205 109 109 PHE HE2 H 7.306 0.030 1 1206 109 109 PHE HZ H 7.290 0.030 1 1207 109 109 PHE C C 174.574 0.300 1 1208 109 109 PHE CA C 56.031 0.300 1 1209 109 109 PHE CB C 44.839 0.300 1 1210 109 109 PHE CD1 C 131.818 0.300 1 1211 109 109 PHE CD2 C 131.818 0.300 1 1212 109 109 PHE CE1 C 130.636 0.300 1 1213 109 109 PHE CE2 C 130.636 0.300 1 1214 109 109 PHE CZ C 129.411 0.300 1 1215 109 109 PHE N N 123.454 0.300 1 1216 110 110 LYS H H 9.492 0.030 1 1217 110 110 LYS HA H 5.096 0.030 1 1218 110 110 LYS HB2 H 1.645 0.030 2 1219 110 110 LYS HB3 H 1.791 0.030 2 1220 110 110 LYS HD2 H 1.637 0.030 1 1221 110 110 LYS HD3 H 1.637 0.030 1 1222 110 110 LYS HE2 H 2.820 0.030 1 1223 110 110 LYS HE3 H 2.820 0.030 1 1224 110 110 LYS HG2 H 1.301 0.030 1 1225 110 110 LYS HG3 H 1.301 0.030 1 1226 110 110 LYS C C 175.129 0.300 1 1227 110 110 LYS CA C 54.973 0.300 1 1228 110 110 LYS CB C 35.501 0.300 1 1229 110 110 LYS CD C 29.738 0.300 1 1230 110 110 LYS CE C 41.716 0.300 1 1231 110 110 LYS CG C 24.984 0.300 1 1232 110 110 LYS N N 121.511 0.300 1 1233 111 111 PHE H H 8.871 0.030 1 1234 111 111 PHE HA H 5.103 0.030 1 1235 111 111 PHE HB2 H 2.709 0.030 2 1236 111 111 PHE HB3 H 2.824 0.030 2 1237 111 111 PHE HD1 H 6.946 0.030 1 1238 111 111 PHE HD2 H 6.946 0.030 1 1239 111 111 PHE HE1 H 6.970 0.030 1 1240 111 111 PHE HE2 H 6.970 0.030 1 1241 111 111 PHE HZ H 7.199 0.030 1 1242 111 111 PHE C C 173.126 0.300 1 1243 111 111 PHE CA C 56.896 0.300 1 1244 111 111 PHE CB C 40.513 0.300 1 1245 111 111 PHE CD1 C 131.667 0.300 1 1246 111 111 PHE CD2 C 131.667 0.300 1 1247 111 111 PHE CE1 C 130.614 0.300 1 1248 111 111 PHE CE2 C 130.614 0.300 1 1249 111 111 PHE CZ C 129.493 0.300 1 1250 111 111 PHE N N 126.505 0.300 1 1251 112 112 VAL H H 8.406 0.030 1 1252 112 112 VAL HA H 3.679 0.030 1 1253 112 112 VAL HB H 0.224 0.030 1 1254 112 112 VAL HG1 H 0.426 0.030 1 1255 112 112 VAL HG2 H 0.512 0.030 1 1256 112 112 VAL C C 172.591 0.300 1 1257 112 112 VAL CA C 61.107 0.300 1 1258 112 112 VAL CB C 34.131 0.300 1 1259 112 112 VAL CG1 C 21.095 0.300 2 1260 112 112 VAL CG2 C 21.023 0.300 2 1261 112 112 VAL N N 129.126 0.300 1 1262 113 113 ASP H H 7.642 0.030 1 1263 113 113 ASP HA H 4.835 0.030 1 1264 113 113 ASP HB2 H 2.324 0.030 2 1265 113 113 ASP HB3 H 2.855 0.030 2 1266 113 113 ASP C C 175.694 0.300 1 1267 113 113 ASP CA C 49.020 0.300 1 1268 113 113 ASP CB C 42.606 0.300 1 1269 113 113 ASP N N 121.658 0.300 1 1270 114 114 PRO HA H 4.450 0.030 1 1271 114 114 PRO HB2 H 2.110 0.030 2 1272 114 114 PRO HB3 H 2.284 0.030 2 1273 114 114 PRO HD2 H 3.595 0.030 2 1274 114 114 PRO HD3 H 3.665 0.030 2 1275 114 114 PRO HG2 H 1.803 0.030 2 1276 114 114 PRO HG3 H 1.953 0.030 2 1277 114 114 PRO C C 176.762 0.300 1 1278 114 114 PRO CA C 63.680 0.300 1 1279 114 114 PRO CB C 32.489 0.300 1 1280 114 114 PRO CD C 51.449 0.300 1 1281 114 114 PRO CG C 26.860 0.300 1 1282 115 115 SER H H 8.270 0.030 1 1283 115 115 SER HA H 4.432 0.030 1 1284 115 115 SER HB2 H 3.952 0.030 1 1285 115 115 SER HB3 H 3.952 0.030 1 1286 115 115 SER C C 174.633 0.300 1 1287 115 115 SER CA C 59.329 0.300 1 1288 115 115 SER CB C 63.830 0.300 1 1289 115 115 SER N N 115.485 0.300 1 1290 116 116 GLY H H 7.895 0.030 1 1291 116 116 GLY HA2 H 3.969 0.030 2 1292 116 116 GLY HA3 H 4.285 0.030 2 1293 116 116 GLY C C 171.788 0.300 1 1294 116 116 GLY CA C 44.794 0.300 1 1295 116 116 GLY N N 110.079 0.300 1 1296 117 117 PRO HA H 4.492 0.030 1 1297 117 117 PRO HB2 H 1.989 0.030 2 1298 117 117 PRO HB3 H 2.308 0.030 2 1299 117 117 PRO HD2 H 3.671 0.030 1 1300 117 117 PRO HD3 H 3.671 0.030 1 1301 117 117 PRO HG2 H 2.046 0.030 1 1302 117 117 PRO HG3 H 2.046 0.030 1 1303 117 117 PRO C C 177.430 0.300 1 1304 117 117 PRO CA C 63.311 0.300 1 1305 117 117 PRO CB C 32.227 0.300 1 1306 117 117 PRO CD C 49.948 0.300 1 1307 117 117 PRO CG C 27.238 0.300 1 1308 118 118 SER H H 8.516 0.030 1 1309 118 118 SER HA H 4.510 0.030 1 1310 118 118 SER HB2 H 3.894 0.030 1 1311 118 118 SER HB3 H 3.894 0.030 1 1312 118 118 SER C C 174.713 0.300 1 1313 118 118 SER CA C 58.357 0.300 1 1314 118 118 SER CB C 63.880 0.300 1 1315 118 118 SER N N 116.365 0.300 1 1316 119 119 SER H H 8.350 0.030 1 1317 119 119 SER HA H 4.501 0.030 1 1318 119 119 SER HB2 H 3.872 0.030 1 1319 119 119 SER HB3 H 3.872 0.030 1 1320 119 119 SER C C 173.979 0.300 1 1321 119 119 SER CA C 58.371 0.300 1 1322 119 119 SER CB C 64.088 0.300 1 1323 119 119 SER N N 117.944 0.300 1 1324 120 120 GLY H H 8.049 0.030 1 1325 120 120 GLY HA2 H 3.798 0.030 2 1326 120 120 GLY HA3 H 3.753 0.030 2 1327 120 120 GLY C C 169.992 0.300 1 1328 120 120 GLY CA C 46.285 0.300 1 1329 120 120 GLY N N 116.874 0.300 1 stop_ save_