data_10105 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the SWIB/MDM2 domain of the hypothetical protein At5g14170 from Arabidopsis thaliana ; _BMRB_accession_number 10105 _BMRB_flat_file_name bmr10105.str _Entry_type original _Submission_date 2007-02-13 _Accession_date 2007-02-13 _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 Yoneyama M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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" 508 "13C chemical shifts" 377 "15N chemical shifts" 79 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2008-08-15 original author . stop_ _Original_release_date 2008-08-15 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure of the SWIB/MDM2 domain of the hypothetical protein At5g14170 from Arabidopsis thaliana ; _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 Yoneyama M. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 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 'hypothetical protein RAFL11-05-P19' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'hypothetical protein RAFL11-05-P19' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state 'protein monomer' _System_paramagnetic no _System_thiol_state 'all free' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'SWIB/MDM2 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 93 _Mol_residue_sequence ; GSSGSSGVPEKFKLSTALMD VLGIEVETRPRIIAAIWHYV KARKLQNPNDPSFFNCDAAL QKVFGEEKLKFTMVSQKISH HLSPPPPSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 VAL 9 PRO 10 GLU 11 LYS 12 PHE 13 LYS 14 LEU 15 SER 16 THR 17 ALA 18 LEU 19 MET 20 ASP 21 VAL 22 LEU 23 GLY 24 ILE 25 GLU 26 VAL 27 GLU 28 THR 29 ARG 30 PRO 31 ARG 32 ILE 33 ILE 34 ALA 35 ALA 36 ILE 37 TRP 38 HIS 39 TYR 40 VAL 41 LYS 42 ALA 43 ARG 44 LYS 45 LEU 46 GLN 47 ASN 48 PRO 49 ASN 50 ASP 51 PRO 52 SER 53 PHE 54 PHE 55 ASN 56 CYS 57 ASP 58 ALA 59 ALA 60 LEU 61 GLN 62 LYS 63 VAL 64 PHE 65 GLY 66 GLU 67 GLU 68 LYS 69 LEU 70 LYS 71 PHE 72 THR 73 MET 74 VAL 75 SER 76 GLN 77 LYS 78 ILE 79 SER 80 HIS 81 HIS 82 LEU 83 SER 84 PRO 85 PRO 86 PRO 87 PRO 88 SER 89 GLY 90 PRO 91 SER 92 SER 93 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-07-08 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 1V31 "Solution Structure Of The SwibMDM2 DOMAIN OF THE Hypothetical Protein At5g14170 From Arabidopsis Thaliana" 100.00 93 100.00 100.00 1.15e-60 DBJ BAB08296 "unnamed protein product [Arabidopsis thaliana]" 86.02 534 100.00 100.00 8.32e-48 GB AAL38282 "unknown protein [Arabidopsis thaliana]" 86.02 534 100.00 100.00 8.32e-48 GB AAP68331 "At5g14170 [Arabidopsis thaliana]" 86.02 534 100.00 100.00 8.32e-48 GB ADG39042 "AT5G14170-like protein, partial [Capsella grandiflora]" 86.02 172 100.00 100.00 4.05e-51 GB ADG39043 "AT5G14170-like protein, partial [Capsella grandiflora]" 86.02 172 100.00 100.00 4.05e-51 GB ADG39044 "AT5G14170-like protein, partial [Capsella grandiflora]" 86.02 172 100.00 100.00 3.92e-51 REF NP_196921 "chromodomain remodeling complex protein CHC1 [Arabidopsis thaliana]" 86.02 534 100.00 100.00 8.32e-48 REF XP_002873653 "SWIB complex BAF60b domain-containing protein [Arabidopsis lyrata subsp. lyrata]" 86.02 534 100.00 100.00 7.59e-48 REF XP_006287459 "hypothetical protein CARUB_v10000669mg [Capsella rubella]" 86.02 536 100.00 100.00 8.26e-48 REF XP_006287460 "hypothetical protein CARUB_v10000669mg [Capsella rubella]" 86.02 536 100.00 100.00 8.26e-48 REF XP_006287461 "hypothetical protein CARUB_v10000669mg [Capsella rubella]" 86.02 536 100.00 100.00 8.26e-48 SP Q9FMT4 "RecName: Full=SWI/SNF complex component SNF12 homolog" 86.02 534 100.00 100.00 8.32e-48 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 'thale cress' 3702 Eukaryota Viridiplantae Arabidopsis thaliana 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' . . . . plasmid P030128-19 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1 mM '[U-13C; U-15N]' phosphate 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'Delagio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Jhonson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.815 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _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 Bruker _Model AVANCE _Field_strength 800 _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_ save_3D_15N-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_3D_13C-separated_NOESY _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _BMRB_pulse_sequence_accession_number . _Details . 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_ _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 'hypothetical protein RAFL11-05-P19' _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 HA2 H 3.989 0.030 1 2 7 7 GLY HA3 H 3.989 0.030 1 3 7 7 GLY C C 173.793 0.300 1 4 7 7 GLY CA C 45.228 0.300 1 5 8 8 VAL H H 7.997 0.030 1 6 8 8 VAL HA H 4.450 0.030 1 7 8 8 VAL HB H 2.084 0.030 1 8 8 8 VAL HG1 H 0.934 0.030 1 9 8 8 VAL HG2 H 0.982 0.030 1 10 8 8 VAL C C 174.549 0.300 1 11 8 8 VAL CA C 59.895 0.300 1 12 8 8 VAL CB C 32.629 0.300 1 13 8 8 VAL CG1 C 20.300 0.300 2 14 8 8 VAL CG2 C 21.070 0.300 2 15 8 8 VAL N N 121.462 0.300 1 16 9 9 PRO HA H 4.439 0.030 1 17 9 9 PRO HB2 H 2.353 0.030 2 18 9 9 PRO HB3 H 1.861 0.030 2 19 9 9 PRO HG2 H 2.050 0.030 1 20 9 9 PRO HG3 H 2.050 0.030 1 21 9 9 PRO HD2 H 3.701 0.030 2 22 9 9 PRO HD3 H 3.920 0.030 2 23 9 9 PRO C C 176.256 0.300 1 24 9 9 PRO CA C 63.034 0.300 1 25 9 9 PRO CB C 32.203 0.300 1 26 9 9 PRO CG C 27.474 0.300 1 27 9 9 PRO CD C 51.044 0.300 1 28 10 10 GLU H H 8.513 0.030 1 29 10 10 GLU HA H 4.071 0.030 1 30 10 10 GLU HB2 H 1.812 0.030 2 31 10 10 GLU HB3 H 1.894 0.030 2 32 10 10 GLU HG2 H 2.150 0.030 2 33 10 10 GLU HG3 H 1.967 0.030 2 34 10 10 GLU C C 175.318 0.300 1 35 10 10 GLU CA C 56.619 0.300 1 36 10 10 GLU CB C 30.598 0.300 1 37 10 10 GLU CG C 36.430 0.300 1 38 10 10 GLU N N 123.069 0.300 1 39 11 11 LYS H H 7.875 0.030 1 40 11 11 LYS HA H 4.296 0.030 1 41 11 11 LYS HB2 H 1.469 0.030 2 42 11 11 LYS HB3 H 1.389 0.030 2 43 11 11 LYS HG2 H 1.366 0.030 2 44 11 11 LYS HG3 H 1.119 0.030 2 45 11 11 LYS HD2 H 1.510 0.030 1 46 11 11 LYS HD3 H 1.510 0.030 1 47 11 11 LYS HE2 H 2.893 0.030 1 48 11 11 LYS HE3 H 2.893 0.030 1 49 11 11 LYS C C 174.134 0.300 1 50 11 11 LYS CA C 55.150 0.300 1 51 11 11 LYS CB C 35.362 0.300 1 52 11 11 LYS CG C 26.116 0.300 1 53 11 11 LYS CD C 29.600 0.300 1 54 11 11 LYS CE C 42.108 0.300 1 55 11 11 LYS N N 121.376 0.300 1 56 12 12 PHE H H 8.458 0.030 1 57 12 12 PHE HA H 4.720 0.030 1 58 12 12 PHE HB2 H 3.092 0.030 2 59 12 12 PHE HB3 H 2.583 0.030 2 60 12 12 PHE HD1 H 7.069 0.030 1 61 12 12 PHE HD2 H 7.069 0.030 1 62 12 12 PHE HE1 H 7.358 0.030 1 63 12 12 PHE HE2 H 7.358 0.030 1 64 12 12 PHE C C 174.489 0.300 1 65 12 12 PHE CA C 57.449 0.300 1 66 12 12 PHE CB C 44.310 0.300 1 67 12 12 PHE CD1 C 131.993 0.300 1 68 12 12 PHE CD2 C 131.993 0.300 1 69 12 12 PHE CE1 C 131.394 0.300 1 70 12 12 PHE CE2 C 131.394 0.300 1 71 12 12 PHE N N 116.176 0.300 1 72 13 13 LYS H H 9.234 0.030 1 73 13 13 LYS HA H 5.010 0.030 1 74 13 13 LYS HB2 H 1.901 0.030 2 75 13 13 LYS HB3 H 1.489 0.030 2 76 13 13 LYS HG2 H 1.489 0.030 1 77 13 13 LYS HG3 H 1.489 0.030 1 78 13 13 LYS HD2 H 1.827 0.030 2 79 13 13 LYS HD3 H 1.625 0.030 2 80 13 13 LYS HE2 H 3.099 0.030 2 81 13 13 LYS HE3 H 3.037 0.030 2 82 13 13 LYS C C 176.403 0.300 1 83 13 13 LYS CA C 55.257 0.300 1 84 13 13 LYS CB C 34.256 0.300 1 85 13 13 LYS CG C 25.124 0.300 1 86 13 13 LYS CD C 29.375 0.300 1 87 13 13 LYS CE C 42.351 0.300 1 88 13 13 LYS N N 121.858 0.300 1 89 14 14 LEU H H 8.361 0.030 1 90 14 14 LEU HA H 4.732 0.030 1 91 14 14 LEU HB2 H 1.744 0.030 2 92 14 14 LEU HB3 H 1.699 0.030 2 93 14 14 LEU HG H 1.598 0.030 1 94 14 14 LEU HD1 H 0.803 0.030 1 95 14 14 LEU HD2 H 0.774 0.030 1 96 14 14 LEU C C 177.061 0.300 1 97 14 14 LEU CA C 56.300 0.300 1 98 14 14 LEU CB C 43.073 0.300 1 99 14 14 LEU CG C 30.564 0.300 1 100 14 14 LEU CD1 C 25.226 0.300 2 101 14 14 LEU CD2 C 26.512 0.300 2 102 14 14 LEU N N 129.155 0.300 1 103 15 15 SER H H 8.175 0.030 1 104 15 15 SER HA H 4.454 0.030 1 105 15 15 SER HB2 H 4.505 0.030 2 106 15 15 SER HB3 H 4.343 0.030 2 107 15 15 SER C C 174.305 0.300 1 108 15 15 SER CA C 57.184 0.300 1 109 15 15 SER CB C 64.252 0.300 1 110 15 15 SER N N 116.915 0.300 1 111 16 16 THR H H 8.842 0.030 1 112 16 16 THR HA H 3.938 0.030 1 113 16 16 THR HB H 4.156 0.030 1 114 16 16 THR HG2 H 1.307 0.030 1 115 16 16 THR C C 175.939 0.300 1 116 16 16 THR CA C 66.735 0.300 1 117 16 16 THR CB C 68.561 0.300 1 118 16 16 THR CG2 C 22.410 0.300 1 119 16 16 THR N N 116.641 0.300 1 120 17 17 ALA H H 8.209 0.030 1 121 17 17 ALA HA H 4.108 0.030 1 122 17 17 ALA HB H 1.281 0.030 1 123 17 17 ALA C C 179.866 0.300 1 124 17 17 ALA CA C 54.958 0.300 1 125 17 17 ALA CB C 18.444 0.300 1 126 17 17 ALA N N 121.194 0.300 1 127 18 18 LEU H H 7.764 0.030 1 128 18 18 LEU HA H 3.935 0.030 1 129 18 18 LEU HB2 H 1.727 0.030 2 130 18 18 LEU HB3 H 1.234 0.030 2 131 18 18 LEU HG H 1.487 0.030 1 132 18 18 LEU HD1 H 0.650 0.030 1 133 18 18 LEU HD2 H 0.658 0.030 1 134 18 18 LEU C C 178.939 0.300 1 135 18 18 LEU CA C 56.530 0.300 1 136 18 18 LEU CB C 42.458 0.300 1 137 18 18 LEU CG C 26.836 0.300 1 138 18 18 LEU CD1 C 24.286 0.300 2 139 18 18 LEU CD2 C 25.763 0.300 2 140 18 18 LEU N N 118.551 0.300 1 141 19 19 MET H H 9.286 0.030 1 142 19 19 MET HA H 4.034 0.030 1 143 19 19 MET HB2 H 2.157 0.030 1 144 19 19 MET HB3 H 2.157 0.030 1 145 19 19 MET HG2 H 2.647 0.030 2 146 19 19 MET HG3 H 2.564 0.030 2 147 19 19 MET HE H 2.067 0.030 1 148 19 19 MET C C 179.293 0.300 1 149 19 19 MET CA C 59.961 0.300 1 150 19 19 MET CB C 33.055 0.300 1 151 19 19 MET CG C 31.564 0.300 1 152 19 19 MET CE C 16.763 0.300 1 153 19 19 MET N N 123.433 0.300 1 154 20 20 ASP H H 8.241 0.030 1 155 20 20 ASP HA H 4.373 0.030 1 156 20 20 ASP HB2 H 2.738 0.030 2 157 20 20 ASP HB3 H 2.568 0.030 2 158 20 20 ASP C C 177.659 0.300 1 159 20 20 ASP CA C 57.113 0.300 1 160 20 20 ASP CB C 40.458 0.300 1 161 20 20 ASP N N 119.478 0.300 1 162 21 21 VAL H H 6.863 0.030 1 163 21 21 VAL HA H 3.801 0.030 1 164 21 21 VAL HB H 1.822 0.030 1 165 21 21 VAL HG1 H 0.645 0.030 1 166 21 21 VAL HG2 H 0.248 0.030 1 167 21 21 VAL C C 176.391 0.300 1 168 21 21 VAL CA C 64.400 0.300 1 169 21 21 VAL CB C 32.670 0.300 1 170 21 21 VAL CG1 C 22.676 0.300 2 171 21 21 VAL CG2 C 20.646 0.300 2 172 21 21 VAL N N 115.935 0.300 1 173 22 22 LEU H H 7.888 0.030 1 174 22 22 LEU HA H 4.330 0.030 1 175 22 22 LEU HB2 H 1.554 0.030 2 176 22 22 LEU HB3 H 1.506 0.030 2 177 22 22 LEU HG H 1.652 0.030 1 178 22 22 LEU HD1 H 0.808 0.030 1 179 22 22 LEU HD2 H 0.682 0.030 1 180 22 22 LEU C C 178.780 0.300 1 181 22 22 LEU CA C 55.729 0.300 1 182 22 22 LEU CB C 43.884 0.300 1 183 22 22 LEU CG C 27.063 0.300 1 184 22 22 LEU CD1 C 25.864 0.300 2 185 22 22 LEU CD2 C 22.113 0.300 2 186 22 22 LEU N N 115.314 0.300 1 187 23 23 GLY H H 9.102 0.030 1 188 23 23 GLY HA2 H 4.000 0.030 2 189 23 23 GLY HA3 H 3.892 0.030 2 190 23 23 GLY C C 173.306 0.300 1 191 23 23 GLY CA C 46.501 0.300 1 192 23 23 GLY N N 108.857 0.300 1 193 24 24 ILE H H 6.669 0.030 1 194 24 24 ILE HA H 4.475 0.030 1 195 24 24 ILE HB H 1.679 0.030 1 196 24 24 ILE HG12 H 1.395 0.030 2 197 24 24 ILE HG13 H 0.975 0.030 2 198 24 24 ILE HG2 H 0.896 0.030 1 199 24 24 ILE HD1 H 0.827 0.030 1 200 24 24 ILE C C 172.818 0.300 1 201 24 24 ILE CA C 59.431 0.300 1 202 24 24 ILE CB C 42.135 0.300 1 203 24 24 ILE CG1 C 26.605 0.300 1 204 24 24 ILE CG2 C 18.229 0.300 1 205 24 24 ILE CD1 C 14.152 0.300 1 206 24 24 ILE N N 114.639 0.300 1 207 25 25 GLU H H 8.380 0.030 1 208 25 25 GLU HA H 4.545 0.030 1 209 25 25 GLU HB2 H 2.137 0.030 2 210 25 25 GLU HB3 H 2.035 0.030 2 211 25 25 GLU HG2 H 2.423 0.030 2 212 25 25 GLU HG3 H 2.360 0.030 2 213 25 25 GLU C C 176.049 0.300 1 214 25 25 GLU CA C 58.298 0.300 1 215 25 25 GLU CB C 32.503 0.300 1 216 25 25 GLU CG C 37.081 0.300 1 217 25 25 GLU N N 120.386 0.300 1 218 26 26 VAL H H 7.434 0.030 1 219 26 26 VAL HA H 5.372 0.030 1 220 26 26 VAL HB H 1.876 0.030 1 221 26 26 VAL HG1 H 0.803 0.030 1 222 26 26 VAL HG2 H 0.896 0.030 1 223 26 26 VAL C C 175.330 0.300 1 224 26 26 VAL CA C 59.792 0.300 1 225 26 26 VAL CB C 35.748 0.300 1 226 26 26 VAL CG1 C 21.959 0.300 2 227 26 26 VAL CG2 C 21.349 0.300 2 228 26 26 VAL N N 117.490 0.300 1 229 27 27 GLU H H 8.895 0.030 1 230 27 27 GLU HA H 4.927 0.030 1 231 27 27 GLU HB2 H 1.903 0.030 1 232 27 27 GLU HB3 H 1.903 0.030 1 233 27 27 GLU HG2 H 2.856 0.030 2 234 27 27 GLU HG3 H 2.472 0.030 2 235 27 27 GLU C C 175.305 0.300 1 236 27 27 GLU CA C 54.728 0.300 1 237 27 27 GLU CB C 35.124 0.300 1 238 27 27 GLU CG C 38.070 0.300 1 239 27 27 GLU N N 126.567 0.300 1 240 28 28 THR H H 10.215 0.030 1 241 28 28 THR HA H 5.139 0.030 1 242 28 28 THR HB H 4.663 0.030 1 243 28 28 THR HG2 H 1.281 0.030 1 244 28 28 THR C C 175.379 0.300 1 245 28 28 THR CA C 60.686 0.300 1 246 28 28 THR CB C 70.036 0.300 1 247 28 28 THR CG2 C 22.679 0.300 1 248 28 28 THR N N 115.543 0.300 1 249 29 29 ARG H H 9.697 0.030 1 250 29 29 ARG HA H 4.039 0.030 1 251 29 29 ARG HB2 H 2.084 0.030 2 252 29 29 ARG HB3 H 1.972 0.030 2 253 29 29 ARG HG2 H 1.521 0.030 2 254 29 29 ARG HG3 H 1.338 0.030 2 255 29 29 ARG HD2 H 3.137 0.030 2 256 29 29 ARG HD3 H 3.050 0.030 2 257 29 29 ARG C C 175.257 0.300 1 258 29 29 ARG CA C 62.030 0.300 1 259 29 29 ARG CB C 28.491 0.300 1 260 29 29 ARG CG C 29.398 0.300 1 261 29 29 ARG CD C 43.034 0.300 1 262 29 29 ARG N N 121.662 0.300 1 263 30 30 PRO HA H 4.244 0.030 1 264 30 30 PRO HB2 H 2.390 0.030 2 265 30 30 PRO HB3 H 1.807 0.030 2 266 30 30 PRO HG2 H 2.194 0.030 2 267 30 30 PRO HG3 H 2.071 0.030 2 268 30 30 PRO HD2 H 3.919 0.030 1 269 30 30 PRO HD3 H 3.919 0.030 1 270 30 30 PRO C C 180.354 0.300 1 271 30 30 PRO CA C 66.023 0.300 1 272 30 30 PRO CB C 31.311 0.300 1 273 30 30 PRO CG C 28.556 0.300 1 274 30 30 PRO CD C 50.044 0.300 1 275 31 31 ARG H H 7.070 0.030 1 276 31 31 ARG HA H 4.049 0.030 1 277 31 31 ARG HB2 H 1.636 0.030 1 278 31 31 ARG HB3 H 1.636 0.030 1 279 31 31 ARG HG2 H 2.050 0.030 2 280 31 31 ARG HG3 H 1.699 0.030 2 281 31 31 ARG HD2 H 3.355 0.030 2 282 31 31 ARG HD3 H 3.265 0.030 2 283 31 31 ARG HE H 7.549 0.030 1 284 31 31 ARG C C 179.500 0.300 1 285 31 31 ARG CA C 59.360 0.300 1 286 31 31 ARG CB C 29.479 0.300 1 287 31 31 ARG CG C 29.435 0.300 1 288 31 31 ARG CD C 42.969 0.300 1 289 31 31 ARG N N 116.369 0.300 1 290 31 31 ARG NE N 126.119 0.300 1 291 32 32 ILE H H 8.369 0.030 1 292 32 32 ILE HA H 3.460 0.030 1 293 32 32 ILE HB H 1.932 0.030 1 294 32 32 ILE HG12 H 1.919 0.030 2 295 32 32 ILE HG13 H 0.536 0.030 2 296 32 32 ILE HG2 H 0.727 0.030 1 297 32 32 ILE HD1 H 0.723 0.030 1 298 32 32 ILE C C 177.208 0.300 1 299 32 32 ILE CA C 66.042 0.300 1 300 32 32 ILE CB C 38.543 0.300 1 301 32 32 ILE CG1 C 29.488 0.300 1 302 32 32 ILE CG2 C 18.030 0.300 1 303 32 32 ILE CD1 C 15.527 0.300 1 304 32 32 ILE N N 124.671 0.300 1 305 33 33 ILE H H 7.959 0.030 1 306 33 33 ILE HA H 3.239 0.030 1 307 33 33 ILE HB H 1.621 0.030 1 308 33 33 ILE HG12 H 1.625 0.030 2 309 33 33 ILE HG13 H 0.815 0.030 2 310 33 33 ILE HG2 H 0.379 0.030 1 311 33 33 ILE HD1 H 0.805 0.030 1 312 33 33 ILE C C 177.537 0.300 1 313 33 33 ILE CA C 65.784 0.300 1 314 33 33 ILE CB C 37.702 0.300 1 315 33 33 ILE CG1 C 29.620 0.300 1 316 33 33 ILE CG2 C 16.827 0.300 1 317 33 33 ILE CD1 C 13.386 0.300 1 318 33 33 ILE N N 119.304 0.300 1 319 34 34 ALA H H 7.752 0.030 1 320 34 34 ALA HA H 4.002 0.030 1 321 34 34 ALA HB H 1.453 0.030 1 322 34 34 ALA C C 180.244 0.300 1 323 34 34 ALA CA C 54.953 0.300 1 324 34 34 ALA CB C 18.211 0.300 1 325 34 34 ALA N N 119.599 0.300 1 326 35 35 ALA H H 8.034 0.030 1 327 35 35 ALA HA H 4.406 0.030 1 328 35 35 ALA HB H 1.679 0.030 1 329 35 35 ALA C C 181.378 0.300 1 330 35 35 ALA CA C 55.009 0.300 1 331 35 35 ALA CB C 18.733 0.300 1 332 35 35 ALA N N 121.903 0.300 1 333 36 36 ILE H H 8.256 0.030 1 334 36 36 ILE HA H 3.730 0.030 1 335 36 36 ILE HB H 2.257 0.030 1 336 36 36 ILE HG12 H 1.926 0.030 2 337 36 36 ILE HG13 H 1.026 0.030 2 338 36 36 ILE HG2 H 0.895 0.030 1 339 36 36 ILE HD1 H 0.746 0.030 1 340 36 36 ILE C C 177.403 0.300 1 341 36 36 ILE CA C 64.920 0.300 1 342 36 36 ILE CB C 36.633 0.300 1 343 36 36 ILE CG1 C 29.492 0.300 1 344 36 36 ILE CG2 C 16.852 0.300 1 345 36 36 ILE CD1 C 13.239 0.300 1 346 36 36 ILE N N 122.929 0.300 1 347 37 37 TRP H H 8.568 0.030 1 348 37 37 TRP HA H 4.421 0.030 1 349 37 37 TRP HB2 H 3.411 0.030 2 350 37 37 TRP HB3 H 3.552 0.030 2 351 37 37 TRP HD1 H 7.021 0.030 1 352 37 37 TRP HE1 H 9.774 0.030 1 353 37 37 TRP HE3 H 7.466 0.030 1 354 37 37 TRP HZ2 H 7.404 0.030 1 355 37 37 TRP HZ3 H 6.988 0.030 1 356 37 37 TRP HH2 H 7.255 0.030 1 357 37 37 TRP C C 178.951 0.300 1 358 37 37 TRP CA C 60.275 0.300 1 359 37 37 TRP CB C 28.687 0.300 1 360 37 37 TRP CD1 C 123.816 0.300 1 361 37 37 TRP CE3 C 120.660 0.300 1 362 37 37 TRP CZ2 C 114.607 0.300 1 363 37 37 TRP CZ3 C 122.209 0.300 1 364 37 37 TRP CH2 C 125.043 0.300 1 365 37 37 TRP N N 121.321 0.300 1 366 37 37 TRP NE1 N 126.439 0.300 1 367 38 38 HIS H H 8.770 0.030 1 368 38 38 HIS HA H 4.363 0.030 1 369 38 38 HIS HB2 H 3.402 0.030 1 370 38 38 HIS HB3 H 3.402 0.030 1 371 38 38 HIS HD2 H 7.288 0.030 1 372 38 38 HIS C C 176.513 0.300 1 373 38 38 HIS CA C 60.014 0.300 1 374 38 38 HIS CB C 29.498 0.300 1 375 38 38 HIS CD2 C 120.202 0.300 1 376 38 38 HIS N N 118.211 0.300 1 377 39 39 TYR H H 8.251 0.030 1 378 39 39 TYR HA H 4.026 0.030 1 379 39 39 TYR HB2 H 3.437 0.030 2 380 39 39 TYR HB3 H 3.058 0.030 2 381 39 39 TYR HD1 H 6.931 0.030 1 382 39 39 TYR HD2 H 6.931 0.030 1 383 39 39 TYR HE1 H 6.827 0.030 1 384 39 39 TYR HE2 H 6.827 0.030 1 385 39 39 TYR C C 177.146 0.300 1 386 39 39 TYR CA C 61.959 0.300 1 387 39 39 TYR CB C 38.494 0.300 1 388 39 39 TYR CD1 C 132.741 0.300 1 389 39 39 TYR CD2 C 132.741 0.300 1 390 39 39 TYR CE1 C 118.136 0.300 1 391 39 39 TYR CE2 C 118.136 0.300 1 392 39 39 TYR N N 123.444 0.300 1 393 40 40 VAL H H 8.282 0.030 1 394 40 40 VAL HA H 3.426 0.030 1 395 40 40 VAL HB H 2.167 0.030 1 396 40 40 VAL HG1 H 0.729 0.030 1 397 40 40 VAL HG2 H 0.317 0.030 1 398 40 40 VAL C C 178.427 0.300 1 399 40 40 VAL CA C 66.361 0.300 1 400 40 40 VAL CB C 31.984 0.300 1 401 40 40 VAL CG1 C 22.123 0.300 2 402 40 40 VAL CG2 C 22.474 0.300 2 403 40 40 VAL N N 118.317 0.300 1 404 41 41 LYS H H 8.092 0.030 1 405 41 41 LYS HA H 4.112 0.030 1 406 41 41 LYS HB2 H 1.871 0.030 1 407 41 41 LYS HB3 H 1.871 0.030 1 408 41 41 LYS HG2 H 1.517 0.030 2 409 41 41 LYS HG3 H 1.350 0.030 2 410 41 41 LYS HD2 H 1.648 0.030 1 411 41 41 LYS HD3 H 1.648 0.030 1 412 41 41 LYS HE2 H 2.884 0.030 1 413 41 41 LYS HE3 H 2.884 0.030 1 414 41 41 LYS C C 180.317 0.300 1 415 41 41 LYS CA C 59.360 0.300 1 416 41 41 LYS CB C 32.232 0.300 1 417 41 41 LYS CG C 25.213 0.300 1 418 41 41 LYS CD C 29.079 0.300 1 419 41 41 LYS CE C 42.112 0.300 1 420 41 41 LYS N N 120.186 0.300 1 421 42 42 ALA H H 8.699 0.030 1 422 42 42 ALA HA H 4.035 0.030 1 423 42 42 ALA HB H 1.297 0.030 1 424 42 42 ALA C C 179.854 0.300 1 425 42 42 ALA CA C 54.898 0.300 1 426 42 42 ALA CB C 18.107 0.300 1 427 42 42 ALA N N 123.717 0.300 1 428 43 43 ARG H H 7.588 0.030 1 429 43 43 ARG HA H 4.178 0.030 1 430 43 43 ARG HB2 H 1.942 0.030 2 431 43 43 ARG HB3 H 1.345 0.030 2 432 43 43 ARG HG2 H 1.242 0.030 2 433 43 43 ARG HG3 H 1.051 0.030 2 434 43 43 ARG HD2 H 2.816 0.030 2 435 43 43 ARG HD3 H 2.460 0.030 2 436 43 43 ARG C C 174.367 0.300 1 437 43 43 ARG CA C 55.128 0.300 1 438 43 43 ARG CB C 29.396 0.300 1 439 43 43 ARG CG C 27.061 0.300 1 440 43 43 ARG CD C 42.399 0.300 1 441 43 43 ARG N N 114.633 0.300 1 442 44 44 LYS H H 7.756 0.030 1 443 44 44 LYS HA H 4.234 0.030 1 444 44 44 LYS HB2 H 2.066 0.030 2 445 44 44 LYS HB3 H 1.984 0.030 2 446 44 44 LYS HG2 H 1.411 0.030 1 447 44 44 LYS HG3 H 1.411 0.030 1 448 44 44 LYS HD2 H 1.727 0.030 1 449 44 44 LYS HD3 H 1.727 0.030 1 450 44 44 LYS HE2 H 3.058 0.030 1 451 44 44 LYS HE3 H 3.058 0.030 1 452 44 44 LYS C C 177.196 0.300 1 453 44 44 LYS CA C 57.131 0.300 1 454 44 44 LYS CB C 28.707 0.300 1 455 44 44 LYS CG C 25.183 0.300 1 456 44 44 LYS CD C 29.357 0.300 1 457 44 44 LYS CE C 42.399 0.300 1 458 44 44 LYS N N 117.026 0.300 1 459 45 45 LEU H H 8.031 0.030 1 460 45 45 LEU HA H 4.550 0.030 1 461 45 45 LEU HB2 H 2.843 0.030 2 462 45 45 LEU HB3 H 1.677 0.030 2 463 45 45 LEU HG H 1.565 0.030 1 464 45 45 LEU HD1 H 1.126 0.030 1 465 45 45 LEU HD2 H 0.937 0.030 1 466 45 45 LEU C C 177.769 0.300 1 467 45 45 LEU CA C 55.185 0.300 1 468 45 45 LEU CB C 41.369 0.300 1 469 45 45 LEU CG C 26.831 0.300 1 470 45 45 LEU CD1 C 26.222 0.300 2 471 45 45 LEU CD2 C 21.678 0.300 2 472 45 45 LEU N N 116.522 0.300 1 473 46 46 GLN H H 8.752 0.030 1 474 46 46 GLN HA H 4.203 0.030 1 475 46 46 GLN HB2 H 2.159 0.030 1 476 46 46 GLN HB3 H 2.159 0.030 1 477 46 46 GLN HG2 H 2.607 0.030 2 478 46 46 GLN HG3 H 2.501 0.030 2 479 46 46 GLN HE21 H 7.942 0.030 2 480 46 46 GLN HE22 H 7.047 0.030 2 481 46 46 GLN C C 175.476 0.300 1 482 46 46 GLN CA C 57.849 0.300 1 483 46 46 GLN CB C 29.033 0.300 1 484 46 46 GLN CG C 34.020 0.300 1 485 46 46 GLN N N 121.935 0.300 1 486 46 46 GLN NE2 N 113.353 0.300 1 487 47 47 ASN H H 8.892 0.030 1 488 47 47 ASN HA H 4.707 0.030 1 489 47 47 ASN HB2 H 3.423 0.030 2 490 47 47 ASN HB3 H 2.257 0.030 2 491 47 47 ASN HD21 H 8.045 0.030 2 492 47 47 ASN HD22 H 7.355 0.030 2 493 47 47 ASN C C 174.598 0.300 1 494 47 47 ASN CA C 52.303 0.300 1 495 47 47 ASN CB C 39.799 0.300 1 496 47 47 ASN N N 128.377 0.300 1 497 47 47 ASN ND2 N 116.029 0.300 1 498 48 48 PRO HA H 4.381 0.030 1 499 48 48 PRO HB2 H 2.324 0.030 2 500 48 48 PRO HB3 H 1.953 0.030 2 501 48 48 PRO HG2 H 2.090 0.030 2 502 48 48 PRO HG3 H 1.985 0.030 2 503 48 48 PRO HD2 H 4.005 0.030 2 504 48 48 PRO HD3 H 3.801 0.030 2 505 48 48 PRO C C 177.159 0.300 1 506 48 48 PRO CA C 64.374 0.300 1 507 48 48 PRO CB C 32.117 0.300 1 508 48 48 PRO CG C 27.163 0.300 1 509 48 48 PRO CD C 51.050 0.300 1 510 49 49 ASN H H 7.950 0.030 1 511 49 49 ASN HA H 4.749 0.030 1 512 49 49 ASN HB2 H 2.871 0.030 2 513 49 49 ASN HB3 H 2.698 0.030 2 514 49 49 ASN HD21 H 7.679 0.030 2 515 49 49 ASN HD22 H 7.040 0.030 2 516 49 49 ASN C C 175.159 0.300 1 517 49 49 ASN CA C 54.125 0.300 1 518 49 49 ASN CB C 39.753 0.300 1 519 49 49 ASN N N 115.194 0.300 1 520 49 49 ASN ND2 N 114.107 0.300 1 521 50 50 ASP H H 7.601 0.030 1 522 50 50 ASP HA H 5.004 0.030 1 523 50 50 ASP HB2 H 2.924 0.030 2 524 50 50 ASP HB3 H 2.539 0.030 2 525 50 50 ASP C C 173.452 0.300 1 526 50 50 ASP CA C 51.347 0.300 1 527 50 50 ASP CB C 41.339 0.300 1 528 50 50 ASP N N 117.901 0.300 1 529 51 51 PRO HA H 4.909 0.030 1 530 51 51 PRO HB2 H 2.409 0.030 2 531 51 51 PRO HB3 H 2.123 0.030 2 532 51 51 PRO HG2 H 2.060 0.030 2 533 51 51 PRO HG3 H 2.014 0.030 2 534 51 51 PRO HD2 H 3.952 0.030 2 535 51 51 PRO HD3 H 3.613 0.030 2 536 51 51 PRO C C 177.208 0.300 1 537 51 51 PRO CA C 64.012 0.300 1 538 51 51 PRO CB C 32.105 0.300 1 539 51 51 PRO CG C 26.743 0.300 1 540 51 51 PRO CD C 50.886 0.300 1 541 52 52 SER H H 8.475 0.030 1 542 52 52 SER HA H 4.519 0.030 1 543 52 52 SER HB2 H 4.015 0.030 2 544 52 52 SER HB3 H 3.905 0.030 2 545 52 52 SER C C 174.720 0.300 1 546 52 52 SER CA C 60.881 0.300 1 547 52 52 SER CB C 63.495 0.300 1 548 52 52 SER N N 114.987 0.300 1 549 53 53 PHE H H 8.624 0.030 1 550 53 53 PHE HA H 5.106 0.030 1 551 53 53 PHE HB2 H 2.953 0.030 2 552 53 53 PHE HB3 H 2.628 0.030 2 553 53 53 PHE HD1 H 6.872 0.030 1 554 53 53 PHE HD2 H 6.872 0.030 1 555 53 53 PHE HE1 H 7.251 0.030 1 556 53 53 PHE HE2 H 7.251 0.030 1 557 53 53 PHE HZ H 7.276 0.030 1 558 53 53 PHE C C 174.720 0.300 1 559 53 53 PHE CA C 57.281 0.300 1 560 53 53 PHE CB C 43.498 0.300 1 561 53 53 PHE CD1 C 132.060 0.300 1 562 53 53 PHE CD2 C 132.060 0.300 1 563 53 53 PHE CE1 C 131.489 0.300 1 564 53 53 PHE CE2 C 131.489 0.300 1 565 53 53 PHE CZ C 129.694 0.300 1 566 53 53 PHE N N 122.337 0.300 1 567 54 54 PHE H H 8.549 0.030 1 568 54 54 PHE HA H 5.090 0.030 1 569 54 54 PHE HB2 H 2.705 0.030 2 570 54 54 PHE HB3 H 2.342 0.030 2 571 54 54 PHE HD1 H 6.029 0.030 1 572 54 54 PHE HD2 H 6.029 0.030 1 573 54 54 PHE HE1 H 6.658 0.030 1 574 54 54 PHE HE2 H 6.658 0.030 1 575 54 54 PHE HZ H 6.375 0.030 1 576 54 54 PHE C C 172.867 0.300 1 577 54 54 PHE CA C 54.885 0.300 1 578 54 54 PHE CB C 42.428 0.300 1 579 54 54 PHE CD1 C 133.175 0.300 1 580 54 54 PHE CD2 C 133.175 0.300 1 581 54 54 PHE CE1 C 129.498 0.300 1 582 54 54 PHE CE2 C 129.498 0.300 1 583 54 54 PHE CZ C 128.274 0.300 1 584 54 54 PHE N N 114.081 0.300 1 585 55 55 ASN H H 8.980 0.030 1 586 55 55 ASN HA H 5.015 0.030 1 587 55 55 ASN HB2 H 2.853 0.030 1 588 55 55 ASN HB3 H 2.853 0.030 1 589 55 55 ASN HD21 H 7.622 0.030 2 590 55 55 ASN HD22 H 6.874 0.030 2 591 55 55 ASN C C 174.062 0.300 1 592 55 55 ASN CA C 52.373 0.300 1 593 55 55 ASN CB C 39.504 0.300 1 594 55 55 ASN N N 119.955 0.300 1 595 55 55 ASN ND2 N 112.123 0.300 1 596 56 56 CYS H H 8.435 0.030 1 597 56 56 CYS HA H 4.454 0.030 1 598 56 56 CYS HB2 H 3.076 0.030 1 599 56 56 CYS HB3 H 3.076 0.030 1 600 56 56 CYS C C 176.001 0.300 1 601 56 56 CYS CA C 58.528 0.300 1 602 56 56 CYS CB C 28.650 0.300 1 603 56 56 CYS N N 118.071 0.300 1 604 57 57 ASP H H 7.454 0.030 1 605 57 57 ASP HA H 4.714 0.030 1 606 57 57 ASP HB2 H 3.334 0.030 2 607 57 57 ASP HB3 H 2.918 0.030 2 608 57 57 ASP C C 175.037 0.300 1 609 57 57 ASP CA C 52.586 0.300 1 610 57 57 ASP CB C 40.232 0.300 1 611 57 57 ASP N N 124.538 0.300 1 612 58 58 ALA H H 8.611 0.030 1 613 58 58 ALA HA H 3.989 0.030 1 614 58 58 ALA HB H 1.469 0.030 1 615 58 58 ALA C C 180.561 0.300 1 616 58 58 ALA CA C 56.338 0.300 1 617 58 58 ALA CB C 17.963 0.300 1 618 58 58 ALA N N 122.569 0.300 1 619 59 59 ALA H H 8.062 0.030 1 620 59 59 ALA HA H 4.031 0.030 1 621 59 59 ALA HB H 1.457 0.030 1 622 59 59 ALA C C 181.086 0.300 1 623 59 59 ALA CA C 55.224 0.300 1 624 59 59 ALA CB C 18.539 0.300 1 625 59 59 ALA N N 119.993 0.300 1 626 60 60 LEU H H 8.534 0.030 1 627 60 60 LEU HA H 4.018 0.030 1 628 60 60 LEU HB2 H 2.101 0.030 2 629 60 60 LEU HB3 H 1.915 0.030 2 630 60 60 LEU HG H 2.174 0.030 1 631 60 60 LEU HD1 H 1.159 0.030 1 632 60 60 LEU HD2 H 0.590 0.030 1 633 60 60 LEU C C 180.013 0.300 1 634 60 60 LEU CA C 57.196 0.300 1 635 60 60 LEU CB C 41.493 0.300 1 636 60 60 LEU CG C 26.185 0.300 1 637 60 60 LEU CD1 C 27.523 0.300 2 638 60 60 LEU CD2 C 21.783 0.300 2 639 60 60 LEU N N 117.002 0.300 1 640 61 61 GLN H H 9.293 0.030 1 641 61 61 GLN HA H 4.138 0.030 1 642 61 61 GLN HB2 H 2.156 0.030 2 643 61 61 GLN HB3 H 2.063 0.030 2 644 61 61 GLN HG2 H 2.424 0.030 2 645 61 61 GLN HG3 H 2.367 0.030 2 646 61 61 GLN HE21 H 7.170 0.030 2 647 61 61 GLN HE22 H 6.866 0.030 2 648 61 61 GLN C C 179.463 0.300 1 649 61 61 GLN CA C 60.360 0.300 1 650 61 61 GLN CB C 27.881 0.300 1 651 61 61 GLN CG C 34.599 0.300 1 652 61 61 GLN N N 123.162 0.300 1 653 61 61 GLN NE2 N 110.762 0.300 1 654 62 62 LYS H H 7.450 0.030 1 655 62 62 LYS HA H 4.061 0.030 1 656 62 62 LYS HB2 H 1.944 0.030 1 657 62 62 LYS HB3 H 1.944 0.030 1 658 62 62 LYS HG2 H 1.642 0.030 2 659 62 62 LYS HG3 H 1.469 0.030 2 660 62 62 LYS HD2 H 1.675 0.030 1 661 62 62 LYS HD3 H 1.675 0.030 1 662 62 62 LYS HE2 H 2.971 0.030 1 663 62 62 LYS HE3 H 2.971 0.030 1 664 62 62 LYS C C 177.805 0.300 1 665 62 62 LYS CA C 59.023 0.300 1 666 62 62 LYS CB C 32.089 0.300 1 667 62 62 LYS CG C 25.342 0.300 1 668 62 62 LYS CD C 29.133 0.300 1 669 62 62 LYS CE C 42.069 0.300 1 670 62 62 LYS N N 119.072 0.300 1 671 63 63 VAL H H 6.897 0.030 1 672 63 63 VAL HA H 3.379 0.030 1 673 63 63 VAL HB H 1.448 0.030 1 674 63 63 VAL HG1 H 0.380 0.030 1 675 63 63 VAL HG2 H -0.490 0.030 1 676 63 63 VAL C C 176.915 0.300 1 677 63 63 VAL CA C 64.543 0.300 1 678 63 63 VAL CB C 32.297 0.300 1 679 63 63 VAL CG1 C 22.013 0.300 2 680 63 63 VAL CG2 C 20.116 0.300 2 681 63 63 VAL N N 116.028 0.300 1 682 64 64 PHE H H 8.429 0.030 1 683 64 64 PHE HA H 4.880 0.030 1 684 64 64 PHE HB2 H 3.277 0.030 2 685 64 64 PHE HB3 H 2.844 0.030 2 686 64 64 PHE HD1 H 7.467 0.030 1 687 64 64 PHE HD2 H 7.467 0.030 1 688 64 64 PHE HE1 H 7.188 0.030 1 689 64 64 PHE HE2 H 7.188 0.030 1 690 64 64 PHE HZ H 7.070 0.030 1 691 64 64 PHE C C 177.158 0.300 1 692 64 64 PHE CA C 59.112 0.300 1 693 64 64 PHE CB C 40.887 0.300 1 694 64 64 PHE CD1 C 132.316 0.300 1 695 64 64 PHE CD2 C 132.316 0.300 1 696 64 64 PHE CE1 C 130.382 0.300 1 697 64 64 PHE CE2 C 130.382 0.300 1 698 64 64 PHE CZ C 128.581 0.300 1 699 64 64 PHE N N 114.446 0.300 1 700 65 65 GLY H H 8.921 0.030 1 701 65 65 GLY HA2 H 4.101 0.030 2 702 65 65 GLY HA3 H 3.979 0.030 2 703 65 65 GLY C C 173.159 0.300 1 704 65 65 GLY CA C 46.625 0.300 1 705 65 65 GLY N N 109.626 0.300 1 706 66 66 GLU H H 6.848 0.030 1 707 66 66 GLU HA H 4.749 0.030 1 708 66 66 GLU HB2 H 2.385 0.030 2 709 66 66 GLU HB3 H 1.412 0.030 2 710 66 66 GLU HG2 H 2.315 0.030 2 711 66 66 GLU HG3 H 2.243 0.030 2 712 66 66 GLU C C 174.940 0.300 1 713 66 66 GLU CA C 54.000 0.300 1 714 66 66 GLU CB C 34.782 0.300 1 715 66 66 GLU CG C 35.611 0.300 1 716 66 66 GLU N N 114.426 0.300 1 717 67 67 GLU H H 8.854 0.030 1 718 67 67 GLU HA H 4.113 0.030 1 719 67 67 GLU HB2 H 2.130 0.030 2 720 67 67 GLU HB3 H 2.008 0.030 2 721 67 67 GLU HG2 H 2.320 0.030 2 722 67 67 GLU HG3 H 2.258 0.030 2 723 67 67 GLU C C 176.183 0.300 1 724 67 67 GLU CA C 58.298 0.300 1 725 67 67 GLU CB C 30.598 0.300 1 726 67 67 GLU CG C 36.713 0.300 1 727 67 67 GLU N N 117.692 0.300 1 728 68 68 LYS H H 7.713 0.030 1 729 68 68 LYS HA H 5.092 0.030 1 730 68 68 LYS HB2 H 1.899 0.030 2 731 68 68 LYS HB3 H 1.621 0.030 2 732 68 68 LYS HG2 H 1.301 0.030 2 733 68 68 LYS HG3 H 1.014 0.030 2 734 68 68 LYS HD2 H 1.312 0.030 2 735 68 68 LYS HD3 H 1.015 0.030 2 736 68 68 LYS HE2 H 2.440 0.030 1 737 68 68 LYS HE3 H 2.440 0.030 1 738 68 68 LYS C C 173.489 0.300 1 739 68 68 LYS CA C 55.214 0.300 1 740 68 68 LYS CB C 35.362 0.300 1 741 68 68 LYS CG C 23.283 0.300 1 742 68 68 LYS CD C 29.634 0.300 1 743 68 68 LYS CE C 41.661 0.300 1 744 68 68 LYS N N 117.376 0.300 1 745 69 69 LEU H H 8.265 0.030 1 746 69 69 LEU HA H 4.233 0.030 1 747 69 69 LEU HB2 H 0.636 0.030 2 748 69 69 LEU HB3 H 0.232 0.030 2 749 69 69 LEU HG H 1.148 0.030 1 750 69 69 LEU HD1 H 0.419 0.030 1 751 69 69 LEU HD2 H -0.111 0.030 1 752 69 69 LEU C C 174.147 0.300 1 753 69 69 LEU CA C 53.913 0.300 1 754 69 69 LEU CB C 46.754 0.300 1 755 69 69 LEU CG C 26.834 0.300 1 756 69 69 LEU CD1 C 25.360 0.300 2 757 69 69 LEU CD2 C 25.516 0.300 2 758 69 69 LEU N N 121.534 0.300 1 759 70 70 LYS H H 7.855 0.030 1 760 70 70 LYS HA H 4.384 0.030 1 761 70 70 LYS HB2 H 1.707 0.030 2 762 70 70 LYS HB3 H 1.209 0.030 2 763 70 70 LYS HG2 H 0.792 0.030 2 764 70 70 LYS HG3 H 0.427 0.030 2 765 70 70 LYS HD2 H 1.316 0.030 2 766 70 70 LYS HD3 H 1.206 0.030 2 767 70 70 LYS HE2 H 2.759 0.030 2 768 70 70 LYS HE3 H 2.676 0.030 2 769 70 70 LYS C C 179.207 0.300 1 770 70 70 LYS CA C 55.734 0.300 1 771 70 70 LYS CB C 33.551 0.300 1 772 70 70 LYS CG C 25.326 0.300 1 773 70 70 LYS CD C 29.502 0.300 1 774 70 70 LYS CE C 42.198 0.300 1 775 70 70 LYS N N 122.506 0.300 1 776 71 71 PHE H H 7.965 0.030 1 777 71 71 PHE HA H 4.146 0.030 1 778 71 71 PHE HB2 H 3.047 0.030 2 779 71 71 PHE HB3 H 2.836 0.030 2 780 71 71 PHE HD1 H 6.732 0.030 1 781 71 71 PHE HD2 H 6.732 0.030 1 782 71 71 PHE HE1 H 7.128 0.030 1 783 71 71 PHE HE2 H 7.128 0.030 1 784 71 71 PHE HZ H 6.999 0.030 1 785 71 71 PHE CA C 63.660 0.300 1 786 71 71 PHE CB C 38.956 0.300 1 787 71 71 PHE CD1 C 131.852 0.300 1 788 71 71 PHE CD2 C 131.852 0.300 1 789 71 71 PHE CE1 C 131.810 0.300 1 790 71 71 PHE CE2 C 131.810 0.300 1 791 71 71 PHE CZ C 129.442 0.300 1 792 71 71 PHE N N 122.114 0.300 1 793 72 72 THR H H 8.129 0.030 1 794 72 72 THR HA H 4.331 0.030 1 795 72 72 THR HB H 4.511 0.030 1 796 72 72 THR HG2 H 1.388 0.030 1 797 72 72 THR C C 176.013 0.300 1 798 72 72 THR CA C 63.940 0.300 1 799 72 72 THR CB C 68.755 0.300 1 800 72 72 THR CG2 C 22.439 0.300 1 801 72 72 THR N N 106.759 0.300 1 802 73 73 MET H H 7.600 0.030 1 803 73 73 MET HA H 4.808 0.030 1 804 73 73 MET HB2 H 2.703 0.030 2 805 73 73 MET HB3 H 2.482 0.030 2 806 73 73 MET HG2 H 2.171 0.030 2 807 73 73 MET HG3 H 1.976 0.030 2 808 73 73 MET HE H 2.118 0.030 1 809 73 73 MET C C 176.537 0.300 1 810 73 73 MET CA C 54.920 0.300 1 811 73 73 MET CB C 32.793 0.300 1 812 73 73 MET CG C 32.901 0.300 1 813 73 73 MET CE C 16.974 0.300 1 814 73 73 MET N N 119.232 0.300 1 815 74 74 VAL H H 7.437 0.030 1 816 74 74 VAL HA H 3.278 0.030 1 817 74 74 VAL HB H 2.447 0.030 1 818 74 74 VAL HG1 H 1.044 0.030 1 819 74 74 VAL HG2 H 1.323 0.030 1 820 74 74 VAL C C 176.720 0.300 1 821 74 74 VAL CA C 68.005 0.300 1 822 74 74 VAL CB C 31.655 0.300 1 823 74 74 VAL CG1 C 22.896 0.300 2 824 74 74 VAL CG2 C 24.794 0.300 2 825 74 74 VAL N N 120.847 0.300 1 826 75 75 SER H H 8.853 0.030 1 827 75 75 SER HA H 3.822 0.030 1 828 75 75 SER HB2 H 4.052 0.030 2 829 75 75 SER HB3 H 3.929 0.030 2 830 75 75 SER C C 176.696 0.300 1 831 75 75 SER CA C 61.802 0.300 1 832 75 75 SER CB C 62.567 0.300 1 833 75 75 SER N N 111.531 0.300 1 834 76 76 GLN H H 8.052 0.030 1 835 76 76 GLN HA H 4.285 0.030 1 836 76 76 GLN HB2 H 2.216 0.030 1 837 76 76 GLN HB3 H 2.216 0.030 1 838 76 76 GLN HG2 H 2.495 0.030 1 839 76 76 GLN HG3 H 2.495 0.030 1 840 76 76 GLN HE21 H 7.595 0.030 2 841 76 76 GLN HE22 H 6.923 0.030 2 842 76 76 GLN C C 179.305 0.300 1 843 76 76 GLN CA C 58.382 0.300 1 844 76 76 GLN CB C 29.220 0.300 1 845 76 76 GLN CG C 34.213 0.300 1 846 76 76 GLN N N 117.703 0.300 1 847 76 76 GLN NE2 N 112.559 0.300 1 848 77 77 LYS H H 8.028 0.030 1 849 77 77 LYS HA H 4.506 0.030 1 850 77 77 LYS HB2 H 2.269 0.030 2 851 77 77 LYS HB3 H 2.037 0.030 2 852 77 77 LYS HG2 H 1.720 0.030 2 853 77 77 LYS HG3 H 1.566 0.030 2 854 77 77 LYS HD2 H 1.919 0.030 2 855 77 77 LYS HD3 H 1.805 0.030 2 856 77 77 LYS HE2 H 3.174 0.030 2 857 77 77 LYS HE3 H 3.008 0.030 2 858 77 77 LYS C C 178.671 0.300 1 859 77 77 LYS CA C 57.556 0.300 1 860 77 77 LYS CB C 32.967 0.300 1 861 77 77 LYS CG C 25.885 0.300 1 862 77 77 LYS CD C 28.596 0.300 1 863 77 77 LYS CE C 42.399 0.300 1 864 77 77 LYS N N 118.084 0.300 1 865 78 78 ILE H H 8.134 0.030 1 866 78 78 ILE HA H 4.417 0.030 1 867 78 78 ILE HB H 2.107 0.030 1 868 78 78 ILE HG12 H 1.649 0.030 2 869 78 78 ILE HG13 H 1.226 0.030 2 870 78 78 ILE HG2 H 0.946 0.030 1 871 78 78 ILE HD1 H 0.692 0.030 1 872 78 78 ILE C C 177.451 0.300 1 873 78 78 ILE CA C 62.525 0.300 1 874 78 78 ILE CB C 39.108 0.300 1 875 78 78 ILE CG1 C 26.123 0.300 1 876 78 78 ILE CG2 C 17.947 0.300 1 877 78 78 ILE CD1 C 14.933 0.300 1 878 78 78 ILE N N 111.723 0.300 1 879 79 79 SER H H 7.555 0.030 1 880 79 79 SER HB2 H 3.982 0.030 2 881 79 79 SER HB3 H 3.897 0.030 2 882 79 79 SER CB C 62.797 0.300 1 883 79 79 SER N N 117.176 0.300 1 884 80 80 HIS HA H 4.641 0.030 1 885 80 80 HIS HB2 H 3.131 0.030 2 886 80 80 HIS HB3 H 3.083 0.030 2 887 80 80 HIS HD2 H 6.966 0.030 1 888 80 80 HIS C C 175.159 0.300 1 889 80 80 HIS CA C 57.278 0.300 1 890 80 80 HIS CB C 28.855 0.300 1 891 80 80 HIS CD2 C 119.501 0.300 1 892 81 81 HIS H H 8.039 0.030 1 893 81 81 HIS HA H 4.475 0.030 1 894 81 81 HIS HB2 H 3.539 0.030 2 895 81 81 HIS HB3 H 2.860 0.030 2 896 81 81 HIS HD2 H 6.688 0.030 1 897 81 81 HIS HE1 H 7.852 0.030 1 898 81 81 HIS C C 172.915 0.300 1 899 81 81 HIS CA C 57.237 0.300 1 900 81 81 HIS CB C 32.827 0.300 1 901 81 81 HIS CD2 C 116.346 0.300 1 902 81 81 HIS CE1 C 138.853 0.300 1 903 81 81 HIS N N 118.184 0.300 1 904 82 82 LEU H H 7.189 0.030 1 905 82 82 LEU HA H 5.227 0.030 1 906 82 82 LEU HB2 H 1.615 0.030 2 907 82 82 LEU HB3 H 1.162 0.030 2 908 82 82 LEU HG H 1.751 0.030 1 909 82 82 LEU HD1 H 0.259 0.030 1 910 82 82 LEU HD2 H 0.579 0.030 1 911 82 82 LEU C C 176.208 0.300 1 912 82 82 LEU CA C 53.682 0.300 1 913 82 82 LEU CB C 43.037 0.300 1 914 82 82 LEU CG C 26.084 0.300 1 915 82 82 LEU CD1 C 24.142 0.300 2 916 82 82 LEU CD2 C 23.642 0.300 2 917 82 82 LEU N N 119.860 0.300 1 918 83 83 SER H H 8.914 0.030 1 919 83 83 SER HA H 5.214 0.030 1 920 83 83 SER HB2 H 3.944 0.030 1 921 83 83 SER HB3 H 3.944 0.030 1 922 83 83 SER C C 171.038 0.300 1 923 83 83 SER CA C 56.830 0.300 1 924 83 83 SER CB C 63.916 0.300 1 925 83 83 SER N N 118.064 0.300 1 926 84 84 PRO HA H 4.886 0.030 1 927 84 84 PRO HB2 H 2.444 0.030 2 928 84 84 PRO HB3 H 1.861 0.030 2 929 84 84 PRO HG2 H 2.221 0.030 2 930 84 84 PRO HG3 H 2.111 0.030 2 931 84 84 PRO HD2 H 4.022 0.030 2 932 84 84 PRO HD3 H 3.759 0.030 2 933 84 84 PRO CA C 61.840 0.300 1 934 84 84 PRO CB C 30.899 0.300 1 935 84 84 PRO CG C 28.157 0.300 1 936 84 84 PRO CD C 51.029 0.300 1 937 85 85 PRO HA H 4.581 0.030 1 938 85 85 PRO HB2 H 1.997 0.030 2 939 85 85 PRO HB3 H 1.960 0.030 2 940 85 85 PRO HG2 H 1.890 0.030 2 941 85 85 PRO HG3 H 1.736 0.030 2 942 85 85 PRO HD2 H 3.959 0.030 2 943 85 85 PRO HD3 H 3.556 0.030 2 944 85 85 PRO CA C 61.419 0.300 1 945 85 85 PRO CB C 30.517 0.300 1 946 85 85 PRO CG C 27.437 0.300 1 947 85 85 PRO CD C 50.521 0.300 1 948 86 86 PRO HG2 H 2.048 0.030 1 949 86 86 PRO HG3 H 2.048 0.030 1 950 86 86 PRO HD2 H 3.665 0.030 2 951 86 86 PRO HD3 H 3.605 0.030 2 952 86 86 PRO CG C 27.297 0.300 1 953 86 86 PRO CD C 50.307 0.300 1 954 87 87 PRO HA H 4.732 0.030 1 955 87 87 PRO HB2 H 2.362 0.030 2 956 87 87 PRO HB3 H 1.927 0.030 2 957 87 87 PRO HG2 H 2.034 0.030 1 958 87 87 PRO HG3 H 2.034 0.030 1 959 87 87 PRO HD2 H 3.652 0.030 1 960 87 87 PRO HD3 H 3.652 0.030 1 961 87 87 PRO CA C 61.381 0.300 1 962 87 87 PRO CB C 30.693 0.300 1 963 87 87 PRO CG C 27.315 0.300 1 964 87 87 PRO CD C 49.825 0.300 1 stop_ save_