data_17212 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignment of Rap1 BRCT domain from Saccharomyces cerevisiae ; _BMRB_accession_number 17212 _BMRB_flat_file_name bmr17212.str _Entry_type original _Submission_date 2010-09-28 _Accession_date 2010-09-28 _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 Zhang Wen . . 2 Zhang Jiahai . . 3 Tu Xiaoming . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 409 "13C chemical shifts" 344 "15N chemical shifts" 89 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-11-06 update BMRB 'delete the outlier of 15 MET CG of 0.000' 2011-03-30 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of Rap1 BRCT domain from Saccharomyces cerevisiae reveals a novel fold.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 21187076 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhang Wen . . 2 Zhang Jiahai . . 3 Zhang Xuecheng . . 4 Xu Chao . . 5 Tu Xiaoming . . stop_ _Journal_abbreviation 'Biochem. Biophys. Res. Commun.' _Journal_name_full 'Biochemical and biophysical research communications' _Journal_volume 404 _Journal_issue 4 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1055 _Page_last 1059 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Rap1 BRCT domain' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Rap1 BRCT domain' $Rap1_BRCT_domain 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_Rap1_BRCT_domain _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Rap1_BRCT_domain _Molecular_mass . _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 106 _Mol_residue_sequence ; MEKKEQVSGPPLSNMKFYLN RDADAHDSLNDIDQLARLIR ANGGEVLDSKPRESKENVFI VSPYNHTNLPTVTPTYIKAC CQSNSLLNMENYLVPYDNLE HHHHHH ; loop_ _Residue_seq_code _Residue_label 1 MET 2 GLU 3 LYS 4 LYS 5 GLU 6 GLN 7 VAL 8 SER 9 GLY 10 PRO 11 PRO 12 LEU 13 SER 14 ASN 15 MET 16 LYS 17 PHE 18 TYR 19 LEU 20 ASN 21 ARG 22 ASP 23 ALA 24 ASP 25 ALA 26 HIS 27 ASP 28 SER 29 LEU 30 ASN 31 ASP 32 ILE 33 ASP 34 GLN 35 LEU 36 ALA 37 ARG 38 LEU 39 ILE 40 ARG 41 ALA 42 ASN 43 GLY 44 GLY 45 GLU 46 VAL 47 LEU 48 ASP 49 SER 50 LYS 51 PRO 52 ARG 53 GLU 54 SER 55 LYS 56 GLU 57 ASN 58 VAL 59 PHE 60 ILE 61 VAL 62 SER 63 PRO 64 TYR 65 ASN 66 HIS 67 THR 68 ASN 69 LEU 70 PRO 71 THR 72 VAL 73 THR 74 PRO 75 THR 76 TYR 77 ILE 78 LYS 79 ALA 80 CYS 81 CYS 82 GLN 83 SER 84 ASN 85 SER 86 LEU 87 LEU 88 ASN 89 MET 90 GLU 91 ASN 92 TYR 93 LEU 94 VAL 95 PRO 96 TYR 97 ASP 98 ASN 99 LEU 100 GLU 101 HIS 102 HIS 103 HIS 104 HIS 105 HIS 106 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-03-22 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 2L42 "The Solution Structure Of Rap1 Brct Domain From Saccharomyces Cerevisiae" 100.00 106 100.00 100.00 7.69e-72 DBJ GAA25889 "K7_Rap1p [Saccharomyces cerevisiae Kyokai no. 7]" 92.45 827 98.98 98.98 3.45e-60 EMBL CAA55491 "N1310 [Saccharomyces cerevisiae]" 92.45 827 98.98 98.98 3.31e-60 EMBL CAA96118 "RAP1 [Saccharomyces cerevisiae]" 92.45 827 98.98 98.98 3.31e-60 EMBL CAY82390 "Rap1p [Saccharomyces cerevisiae EC1118]" 92.45 827 98.98 98.98 3.31e-60 GB AAA18404 "RAP1 protein [Saccharomyces cerevisiae]" 92.45 827 98.98 98.98 3.45e-60 GB AHY76889 "Rap1p [Saccharomyces cerevisiae YJM993]" 92.45 827 98.98 98.98 4.20e-60 GB AJP41127 "Rap1p [Saccharomyces cerevisiae YJM1078]" 92.45 827 98.98 98.98 3.45e-60 GB AJT01564 "Rap1p [Saccharomyces cerevisiae YJM189]" 92.45 827 98.98 98.98 3.45e-60 GB AJT01934 "Rap1p [Saccharomyces cerevisiae YJM193]" 92.45 827 98.98 98.98 3.45e-60 REF NP_014183 "DNA-binding transcription factor RAP1 [Saccharomyces cerevisiae S288c]" 92.45 827 98.98 98.98 3.31e-60 SP P11938 "RecName: Full=DNA-binding protein RAP1; AltName: Full=Repressor/activator site-binding protein; AltName: Full=SBF-E; AltName: F" 92.45 827 98.98 98.98 3.31e-60 TPG DAA10340 "TPA: DNA-binding transcription factor RAP1 [Saccharomyces cerevisiae S288c]" 92.45 827 98.98 98.98 3.31e-60 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Rap1_BRCT_domain 'baker's yeast' 4932 Eukaryota Fungi Saccharomyces cerevisiae stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $Rap1_BRCT_domain 'recombinant technology' . Escherichia coli . pet22 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' $Rap1_BRCT_domain 0.8 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.12 . M pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 DSS P 31 'methyl protons' ppm 0.00 na indirect . . . 0.404808636 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D CBCA(CO)NH' '3D C(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D H(CCO)NH' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Rap1 BRCT 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 2 GLU C C 175.917 0.1 1 2 1 2 GLU CA C 56.291 0.1 1 3 1 2 GLU CB C 30.247 0.1 1 4 1 2 GLU N N 125.329 0.01 1 5 2 3 LYS H H 8.534 0.01 . 6 2 3 LYS HA H 4.297 0.01 1 7 2 3 LYS HB2 H 1.571 0.01 2 8 2 3 LYS HB3 H 1.571 0.01 2 9 2 3 LYS C C 176.262 0.1 1 10 2 3 LYS CA C 56.295 0.01 1 11 2 3 LYS CB C 32.902 0.01 1 12 2 3 LYS N N 123.729 0.01 1 13 3 4 LYS H H 8.461 0.01 . 14 3 4 LYS HA H 4.353 0.01 1 15 3 4 LYS C C 176.412 0.1 1 16 3 4 LYS CA C 56.148 0.1 1 17 3 4 LYS CB C 32.945 0.1 1 18 3 4 LYS N N 123.671 0.01 1 19 4 5 GLU H H 8.494 0.01 . 20 4 5 GLU C C 176.262 0.1 1 21 4 5 GLU CA C 56.398 0.1 1 22 4 5 GLU CB C 30.157 0.1 1 23 4 5 GLU N N 122.488 0.01 1 24 5 6 GLN H H 8.441 0.01 . 25 5 6 GLN HA H 4.378 0.01 1 26 5 6 GLN HB2 H 2.052 0.01 2 27 5 6 GLN HB3 H 2.052 0.01 2 28 5 6 GLN C C 175.780 0.1 1 29 5 6 GLN CA C 55.673 0.1 1 30 5 6 GLN CB C 29.445 0.1 1 31 5 6 GLN N N 121.929 0.01 1 32 6 7 VAL H H 8.308 0.01 . 33 6 7 VAL HA H 4.217 0.01 1 34 6 7 VAL HB H 2.108 0.01 1 35 6 7 VAL HG1 H 0.968 0.01 2 36 6 7 VAL HG2 H 0.968 0.01 2 37 6 7 VAL C C 176.089 0.1 1 38 6 7 VAL CA C 62.039 0.1 1 39 6 7 VAL CB C 32.810 0.1 1 40 6 7 VAL CG1 C 20.995 0.1 2 41 6 7 VAL CG2 C 20.995 0.1 2 42 6 7 VAL N N 122.211 0.01 1 43 7 8 SER H H 8.476 0.01 1 44 7 8 SER HA H 4.550 0.01 1 45 7 8 SER HB2 H 3.907 0.01 2 46 7 8 SER HB3 H 3.907 0.01 2 47 7 8 SER CA C 58.182 0.1 1 48 7 8 SER CB C 64.034 0.1 1 49 7 8 SER N N 120.015 0.01 1 50 8 9 GLY H H 8.226 0.01 1 51 8 9 GLY CA C 45.000 0.1 1 52 8 9 GLY N N 111.279 0.01 1 53 10 11 PRO HA H 4.327 0.01 1 54 10 11 PRO HB2 H 1.972 0.01 2 55 10 11 PRO HB3 H 1.521 0.01 2 56 10 11 PRO HD2 H 3.856 0.01 2 57 10 11 PRO HD3 H 3.856 0.01 2 58 10 11 PRO C C 176.474 0.1 1 59 10 11 PRO CA C 65.496 0.1 1 60 10 11 PRO CB C 32.346 0.1 1 61 10 11 PRO CD C 50.686 0.1 1 62 10 11 PRO CG C 28.017 0.1 1 63 11 12 LEU H H 7.762 0.01 1 64 11 12 LEU HA H 4.837 0.01 1 65 11 12 LEU HB2 H 1.810 0.01 2 66 11 12 LEU HB3 H 1.546 0.01 2 67 11 12 LEU HD1 H 0.740 0.01 2 68 11 12 LEU HD2 H 0.685 0.01 2 69 11 12 LEU HG H 1.414 0.01 1 70 11 12 LEU C C 174.839 0.1 1 71 11 12 LEU CA C 52.828 0.1 1 72 11 12 LEU CB C 39.499 0.1 1 73 11 12 LEU CD1 C 22.052 0.1 2 74 11 12 LEU CD2 C 22.052 0.1 2 75 11 12 LEU CG C 27.325 0.1 1 76 11 12 LEU N N 112.727 0.01 1 77 12 13 SER H H 7.047 0.01 1 78 12 13 SER HA H 4.224 0.01 1 79 12 13 SER HB2 H 3.823 0.01 2 80 12 13 SER HB3 H 3.823 0.01 2 81 12 13 SER C C 174.666 0.1 1 82 12 13 SER CA C 60.435 0.1 1 83 12 13 SER CB C 63.723 0.1 1 84 12 13 SER N N 112.150 0.01 1 85 13 14 ASN H H 8.655 0.01 1 86 13 14 ASN HA H 4.361 0.01 1 87 13 14 ASN HB2 H 3.065 0.01 2 88 13 14 ASN HB3 H 3.065 0.01 2 89 13 14 ASN C C 173.919 0.1 1 90 13 14 ASN CA C 55.605 0.1 1 91 13 14 ASN CB C 37.804 0.1 1 92 13 14 ASN N N 116.965 0.01 1 93 14 15 MET H H 7.981 0.01 1 94 14 15 MET HA H 4.906 0.01 1 95 14 15 MET HG2 H 2.547 0.01 2 96 14 15 MET HG3 H 2.547 0.01 2 97 14 15 MET C C 175.253 0.1 1 98 14 15 MET CA C 55.343 0.1 1 99 14 15 MET CB C 36.401 0.1 1 100 14 15 MET N N 117.698 0.01 1 101 15 16 LYS H H 8.445 0.01 1 102 15 16 LYS HA H 5.221 0.01 1 103 15 16 LYS HB2 H 1.806 0.01 2 104 15 16 LYS HB3 H 1.615 0.01 2 105 15 16 LYS HD2 H 2.236 0.01 2 106 15 16 LYS HE2 H 2.875 0.01 2 107 15 16 LYS HE3 H 2.875 0.01 2 108 15 16 LYS HG2 H 1.360 0.01 2 109 15 16 LYS HG3 H 1.360 0.01 2 110 15 16 LYS C C 174.340 0.1 1 111 15 16 LYS CA C 54.551 0.1 1 112 15 16 LYS CB C 34.441 0.1 1 113 15 16 LYS CD C 29.419 0.1 1 114 15 16 LYS CE C 42.124 0.1 1 115 15 16 LYS CG C 25.309 0.1 1 116 15 16 LYS N N 121.352 0.01 1 117 16 17 PHE H H 8.887 0.01 1 118 16 17 PHE HA H 5.970 0.01 1 119 16 17 PHE HB2 H 2.915 0.01 2 120 16 17 PHE HB3 H 2.691 0.01 2 121 16 17 PHE C C 174.832 0.1 1 122 16 17 PHE CA C 56.109 0.1 1 123 16 17 PHE CB C 43.461 0.1 1 124 16 17 PHE N N 117.043 0.01 1 125 17 18 TYR H H 9.122 0.01 1 126 17 18 TYR HA H 5.003 0.01 1 127 17 18 TYR HB2 H 2.865 0.01 2 128 17 18 TYR HB3 H 2.724 0.01 2 129 17 18 TYR C C 173.587 0.1 1 130 17 18 TYR CA C 56.144 0.1 1 131 17 18 TYR CB C 40.758 0.1 1 132 17 18 TYR N N 122.875 0.01 1 133 18 19 LEU H H 8.774 0.01 1 134 18 19 LEU HA H 4.361 0.01 1 135 18 19 LEU HB2 H 1.543 0.01 2 136 18 19 LEU HB3 H 1.543 0.01 2 137 18 19 LEU HD1 H 0.733 0.01 2 138 18 19 LEU HD2 H 0.733 0.01 2 139 18 19 LEU HG H 1.363 0.01 1 140 18 19 LEU C C 177.179 0.1 1 141 18 19 LEU CA C 54.463 0.1 1 142 18 19 LEU CB C 41.864 0.1 1 143 18 19 LEU CD1 C 25.285 0.1 2 144 18 19 LEU CD2 C 22.870 0.1 2 145 18 19 LEU CG C 26.927 0.1 1 146 18 19 LEU N N 128.737 0.01 1 147 19 20 ASN H H 8.781 0.01 1 148 19 20 ASN HA H 4.589 0.01 1 149 19 20 ASN HB2 H 2.943 0.01 2 150 19 20 ASN HB3 H 2.943 0.01 2 151 19 20 ASN HD21 H 7.812 0.01 2 152 19 20 ASN HD22 H 7.812 0.01 2 153 19 20 ASN C C 177.200 0.1 1 154 19 20 ASN CA C 54.416 0.1 1 155 19 20 ASN CB C 38.127 0.1 1 156 19 20 ASN N N 121.500 0.01 1 157 20 21 ARG H H 8.817 0.01 1 158 20 21 ARG C C 177.411 0.1 1 159 20 21 ARG CA C 56.911 0.1 1 160 20 21 ARG CB C 31.355 0.1 1 161 20 21 ARG N N 125.142 0.01 1 162 21 22 ASP H H 8.270 0.01 1 163 21 22 ASP HA H 4.630 0.01 1 164 21 22 ASP HB2 H 2.841 0.01 2 165 21 22 ASP HB3 H 2.040 0.01 2 166 21 22 ASP CA C 54.556 0.1 1 167 21 22 ASP CB C 41.017 0.1 1 168 21 22 ASP N N 121.987 0.01 1 169 22 23 ALA H H 8.524 0.01 1 170 22 23 ALA HA H 4.208 0.01 1 171 22 23 ALA HB H 1.463 0.01 1 172 22 23 ALA C C 178.186 0.1 1 173 22 23 ALA CA C 53.993 0.1 1 174 22 23 ALA CB C 18.996 0.1 1 175 22 23 ALA N N 124.778 0.01 1 176 23 24 ASP H H 8.345 0.01 1 177 23 24 ASP HA H 4.578 0.01 1 178 23 24 ASP HB2 H 2.760 0.01 2 179 23 24 ASP HB3 H 2.760 0.01 2 180 23 24 ASP C C 176.202 0.1 1 181 23 24 ASP CA C 50.960 0.1 1 182 23 24 ASP CB C 38.411 0.1 1 183 23 24 ASP N N 116.909 0.01 1 184 24 25 ALA H H 7.906 0.01 1 185 24 25 ALA HA H 4.400 0.01 1 186 24 25 ALA HB H 1.404 0.01 1 187 24 25 ALA C C 177.351 0.1 1 188 24 25 ALA CA C 52.246 0.1 1 189 24 25 ALA CB C 19.372 0.1 1 190 24 25 ALA N N 122.577 0.01 1 191 25 26 HIS H H 8.153 0.01 1 192 25 26 HIS HA H 4.576 0.01 1 193 25 26 HIS HB2 H 3.252 0.01 2 194 25 26 HIS HB3 H 3.041 0.01 2 195 25 26 HIS C C 175.129 0.1 1 196 25 26 HIS CA C 56.862 0.1 1 197 25 26 HIS CB C 30.086 0.1 1 198 25 26 HIS N N 117.581 0.01 1 199 26 27 ASP H H 8.393 0.01 1 200 26 27 ASP HA H 4.628 0.01 1 201 26 27 ASP HB2 H 2.732 0.01 2 202 26 27 ASP HB3 H 2.732 0.01 2 203 26 27 ASP C C 176.465 0.1 1 204 26 27 ASP CA C 54.641 0.1 1 205 26 27 ASP CB C 41.211 0.1 1 206 26 27 ASP N N 120.079 0.01 1 207 27 28 SER H H 8.281 0.01 1 208 27 28 SER HA H 4.436 0.01 1 209 27 28 SER HB2 H 3.966 0.01 2 210 27 28 SER HB3 H 3.966 0.01 2 211 27 28 SER C C 175.209 0.1 1 212 27 28 SER CA C 58.934 0.1 1 213 27 28 SER CB C 63.935 0.1 1 214 27 28 SER N N 115.765 0.01 1 215 28 29 LEU H H 8.347 0.01 1 216 28 29 LEU HA H 4.479 0.01 1 217 28 29 LEU HB2 H 2.967 0.01 2 218 28 29 LEU HB3 H 2.621 0.01 2 219 28 29 LEU HG H 1.710 0.01 1 220 28 29 LEU CA C 55.553 0.1 1 221 28 29 LEU CB C 40.784 0.1 1 222 28 29 LEU N N 122.960 0.01 1 223 29 30 ASN H H 8.168 0.01 1 224 29 30 ASN HA H 4.584 0.01 1 225 29 30 ASN CA C 54.323 0.1 1 226 29 30 ASN CB C 38.888 0.1 1 227 29 30 ASN N N 125.114 0.01 1 228 30 31 ASP H H 7.787 0.01 . 229 30 31 ASP HA H 4.560 0.01 1 230 30 31 ASP HB2 H 2.755 0.01 2 231 30 31 ASP HB3 H 2.755 0.01 2 232 30 31 ASP C C 177.870 0.1 1 233 30 31 ASP CA C 55.144 0.1 1 234 30 31 ASP CB C 40.699 0.1 1 235 30 31 ASP N N 113.725 0.01 1 236 31 32 ILE H H 8.070 0.01 1 237 31 32 ILE HA H 4.322 0.01 1 238 31 32 ILE HB H 1.922 0.01 1 239 31 32 ILE HG12 H 1.470 0.01 2 240 31 32 ILE HG13 H 1.245 0.01 2 241 31 32 ILE HG2 H 0.862 0.01 1 242 31 32 ILE C C 177.048 0.1 1 243 31 32 ILE CA C 64.043 0.1 1 244 31 32 ILE CB C 37.024 0.1 1 245 31 32 ILE CD1 C 12.850 0.1 1 246 31 32 ILE CG2 C 17.990 0.1 1 247 31 32 ILE N N 122.607 0.01 1 248 32 33 ASP H H 8.155 0.01 1 249 32 33 ASP HA H 4.446 0.01 1 250 32 33 ASP HB2 H 2.757 0.01 2 251 32 33 ASP HB3 H 2.651 0.01 2 252 32 33 ASP C C 179.013 0.1 1 253 32 33 ASP CA C 57.471 0.1 1 254 32 33 ASP CB C 40.526 0.1 1 255 32 33 ASP N N 120.802 0.01 1 256 33 34 GLN H H 7.986 0.01 1 257 33 34 GLN HA H 4.007 0.01 1 258 33 34 GLN HB2 H 2.135 0.01 2 259 33 34 GLN HB3 H 2.099 0.01 2 260 33 34 GLN C C 178.605 0.1 1 261 33 34 GLN CA C 58.717 0.1 1 262 33 34 GLN CB C 28.001 0.1 1 263 33 34 GLN N N 119.399 0.01 1 264 34 35 LEU H H 7.986 0.01 1 265 34 35 LEU HA H 3.964 0.01 1 266 34 35 LEU HB2 H 1.848 0.01 2 267 34 35 LEU HB3 H 1.644 0.11 2 268 34 35 LEU HD1 H 0.868 0.01 2 269 34 35 LEU HD2 H 0.868 0.01 2 270 34 35 LEU HG H 1.710 0.01 1 271 34 35 LEU C C 178.300 0.1 1 272 34 35 LEU CA C 57.869 0.1 1 273 34 35 LEU CB C 41.729 0.1 1 274 34 35 LEU CD1 C 24.763 0.1 2 275 34 35 LEU CD2 C 24.763 0.1 2 276 34 35 LEU CG C 26.794 0.1 1 277 34 35 LEU N N 121.345 0.01 1 278 35 36 ALA H H 8.322 0.01 1 279 35 36 ALA HA H 3.834 0.01 1 280 35 36 ALA HB H 1.538 0.01 1 281 35 36 ALA C C 179.188 0.1 1 282 35 36 ALA CA C 55.708 0.1 1 283 35 36 ALA CB C 18.065 0.1 1 284 35 36 ALA N N 120.723 0.01 1 285 36 37 ARG H H 7.702 0.01 1 286 36 37 ARG C C 179.526 0.1 1 287 36 37 ARG CA C 59.708 0.1 1 288 36 37 ARG CB C 30.050 0.1 1 289 36 37 ARG CD C 43.457 0.1 1 290 36 37 ARG CG C 28.043 0.1 1 291 36 37 ARG N N 116.639 0.01 1 292 37 38 LEU H H 7.972 0.01 1 293 37 38 LEU HA H 3.995 0.01 1 294 37 38 LEU HB2 H 1.867 0.01 2 295 37 38 LEU HB3 H 1.700 0.01 2 296 37 38 LEU HD1 H 0.782 0.01 2 297 37 38 LEU HD2 H 0.782 0.01 2 298 37 38 LEU C C 179.539 0.1 1 299 37 38 LEU CA C 57.960 0.1 1 300 37 38 LEU CB C 41.969 0.1 1 301 37 38 LEU CD1 C 24.462 0.1 2 302 37 38 LEU CD2 C 24.462 0.1 2 303 37 38 LEU CG C 26.393 0.1 1 304 37 38 LEU N N 121.766 0.01 1 305 38 39 ILE H H 8.331 0.01 1 306 38 39 ILE HA H 3.256 0.01 1 307 38 39 ILE HD1 H 0.504 0.01 1 308 38 39 ILE HG2 H 0.681 0.01 1 309 38 39 ILE C C 179.094 0.1 1 310 38 39 ILE CA C 65.580 0.1 1 311 38 39 ILE CB C 38.301 0.1 1 312 38 39 ILE CD1 C 14.753 0.1 1 313 38 39 ILE CG2 C 18.132 0.1 1 314 38 39 ILE N N 119.535 0.01 1 315 39 40 ARG H H 8.025 0.01 1 316 39 40 ARG C C 180.238 0.1 1 317 39 40 ARG CA C 59.374 0.1 1 318 39 40 ARG CB C 29.944 0.1 1 319 39 40 ARG N N 118.879 0.01 1 320 40 41 ALA H H 8.159 0.01 1 321 40 41 ALA HA H 4.349 0.01 1 322 40 41 ALA HB H 1.538 0.01 1 323 40 41 ALA C C 178.120 0.1 1 324 40 41 ALA CB C 18.434 0.1 1 325 40 41 ALA N N 120.802 0.01 1 326 41 42 ASN H H 7.457 0.01 1 327 41 42 ASN HA H 4.819 0.01 1 328 41 42 ASN HB2 H 2.784 0.01 2 329 41 42 ASN HB3 H 2.604 0.01 2 330 41 42 ASN C C 173.512 0.1 1 331 41 42 ASN CA C 53.899 0.1 1 332 41 42 ASN CB C 40.795 0.1 1 333 41 42 ASN N N 115.280 0.01 1 334 42 43 GLY H H 7.628 0.01 1 335 42 43 GLY HA2 H 4.069 0.01 2 336 42 43 GLY HA3 H 3.825 0.01 2 337 42 43 GLY C C 173.888 0.1 1 338 42 43 GLY CA C 46.007 0.1 1 339 42 43 GLY N N 106.318 0.01 1 340 43 44 GLY H H 8.097 0.01 1 341 43 44 GLY HA2 H 3.874 0.01 2 342 43 44 GLY HA3 H 3.874 0.01 2 343 43 44 GLY C C 172.102 0.1 1 344 43 44 GLY CA C 45.062 0.1 1 345 43 44 GLY N N 107.868 0.01 1 346 44 45 GLU H H 8.296 0.01 1 347 44 45 GLU HA H 4.814 0.01 1 348 44 45 GLU HB2 H 1.990 0.01 2 349 44 45 GLU HB3 H 1.990 0.01 2 350 44 45 GLU C C 176.180 0.1 1 351 44 45 GLU CA C 54.559 0.1 1 352 44 45 GLU CB C 33.332 0.1 1 353 44 45 GLU CG C 36.238 0.1 1 354 44 45 GLU N N 118.934 0.01 1 355 45 46 VAL H H 8.881 0.01 1 356 45 46 VAL HA H 4.918 0.01 1 357 45 46 VAL HB H 2.003 0.01 1 358 45 46 VAL HG1 H 0.976 0.01 2 359 45 46 VAL HG2 H 0.578 0.01 2 360 45 46 VAL C C 176.499 0.1 1 361 45 46 VAL CA C 61.371 0.1 1 362 45 46 VAL CB C 32.543 0.1 1 363 45 46 VAL CG1 C 22.301 0.1 2 364 45 46 VAL CG2 C 22.301 0.1 2 365 45 46 VAL N N 125.357 0.01 1 366 46 47 LEU H H 9.142 0.01 1 367 46 47 LEU HA H 4.603 0.01 1 368 46 47 LEU HB2 H 1.871 0.01 2 369 46 47 LEU HB3 H 1.871 0.01 2 370 46 47 LEU HD1 H 0.952 0.01 2 371 46 47 LEU HD2 H 0.952 0.01 2 372 46 47 LEU HG H 1.663 0.01 1 373 46 47 LEU C C 176.548 0.1 1 374 46 47 LEU CA C 53.901 0.1 1 375 46 47 LEU CB C 43.785 0.1 1 376 46 47 LEU CD1 C 22.798 0.1 2 377 46 47 LEU CD2 C 22.798 0.1 2 378 46 47 LEU CG C 26.577 0.1 1 379 46 47 LEU N N 128.911 0.01 1 380 47 48 ASP H H 8.687 0.01 1 381 47 48 ASP HA H 4.806 0.01 1 382 47 48 ASP HB2 H 2.799 0.01 2 383 47 48 ASP HB3 H 2.799 0.01 2 384 47 48 ASP C C 176.253 0.1 1 385 47 48 ASP CA C 54.999 0.1 1 386 47 48 ASP CB C 41.835 0.1 1 387 47 48 ASP N N 119.925 0.01 1 388 48 49 SER H H 7.549 0.01 1 389 48 49 SER HA H 4.712 0.01 1 390 48 49 SER HB2 H 3.691 0.01 2 391 48 49 SER HB3 H 3.691 0.01 2 392 48 49 SER C C 172.592 0.1 1 393 48 49 SER CA C 56.687 0.1 1 394 48 49 SER CB C 65.007 0.1 1 395 48 49 SER N N 113.120 0.01 1 396 49 50 LYS C C 174.514 0.1 1 397 49 50 LYS CA C 54.332 0.1 1 398 49 50 LYS CB C 32.838 0.1 1 399 49 50 LYS N N 127.511 0.01 1 400 50 51 PRO HA H 4.214 0.01 1 401 50 51 PRO HB2 H 2.281 0.01 2 402 50 51 PRO HB3 H 1.739 0.01 2 403 50 51 PRO HD2 H 3.537 0.01 2 404 50 51 PRO HD3 H 2.982 0.01 2 405 50 51 PRO C C 175.058 0.1 1 406 50 51 PRO CA C 62.944 0.1 1 407 50 51 PRO CB C 32.068 0.1 1 408 50 51 PRO CD C 50.743 0.1 1 409 50 51 PRO CG C 27.420 0.1 1 410 51 52 ARG H H 8.596 0.01 1 411 51 52 ARG HA H 4.283 0.01 1 412 51 52 ARG HB2 H 1.918 0.01 2 413 51 52 ARG HB3 H 1.692 0.01 2 414 51 52 ARG HD2 H 2.652 0.01 2 415 51 52 ARG HD3 H 2.652 0.01 2 416 51 52 ARG C C 175.563 0.1 1 417 51 52 ARG CA C 55.744 0.1 1 418 51 52 ARG CB C 31.625 0.1 1 419 51 52 ARG CD C 43.096 0.1 1 420 51 52 ARG CG C 27.485 0.1 1 421 51 52 ARG N N 118.571 0.01 1 422 52 53 GLU H H 7.555 0.01 1 423 52 53 GLU HA H 4.512 0.01 1 424 52 53 GLU HB2 H 2.051 0.01 2 425 52 53 GLU HB3 H 1.852 0.01 2 426 52 53 GLU C C 174.554 0.1 1 427 52 53 GLU CA C 54.054 0.1 1 428 52 53 GLU CB C 32.309 0.1 1 429 52 53 GLU CG C 35.238 0.1 1 430 52 53 GLU N N 116.231 0.01 1 431 53 54 SER H H 8.645 0.01 1 432 53 54 SER HA H 4.247 0.01 1 433 53 54 SER HB2 H 3.756 0.01 2 434 53 54 SER HB3 H 3.756 0.01 2 435 53 54 SER C C 174.185 0.1 1 436 53 54 SER CA C 58.325 0.1 1 437 53 54 SER CB C 63.150 0.1 1 438 53 54 SER N N 117.165 0.01 1 439 54 55 LYS H H 8.404 0.01 1 440 54 55 LYS HA H 4.356 0.01 1 441 54 55 LYS HB2 H 1.741 0.01 2 442 54 55 LYS HB3 H 1.741 0.01 2 443 54 55 LYS HE2 H 3.019 0.01 2 444 54 55 LYS HE3 H 3.019 0.01 2 445 54 55 LYS HG2 H 1.406 0.01 2 446 54 55 LYS HG3 H 1.406 0.01 2 447 54 55 LYS C C 175.577 0.1 1 448 54 55 LYS CA C 55.467 0.1 1 449 54 55 LYS CB C 35.866 0.1 1 450 54 55 LYS CD C 28.881 0.1 1 451 54 55 LYS CE C 42.027 0.1 1 452 54 55 LYS CG C 24.739 0.1 1 453 54 55 LYS N N 126.252 0.01 1 454 55 56 GLU H H 8.494 0.01 1 455 55 56 GLU HA H 3.949 0.01 1 456 55 56 GLU HB2 H 1.939 0.01 2 457 55 56 GLU HB3 H 1.939 0.01 2 458 55 56 GLU C C 175.829 0.1 1 459 55 56 GLU CA C 57.591 0.1 1 460 55 56 GLU CB C 29.618 0.1 1 461 55 56 GLU CG C 35.952 0.1 1 462 55 56 GLU N N 122.399 0.01 1 463 56 57 ASN H H 8.709 0.01 1 464 56 57 ASN HA H 4.295 0.01 1 465 56 57 ASN HB2 H 3.409 0.01 2 466 56 57 ASN HB3 H 3.126 0.01 2 467 56 57 ASN HD21 H 7.176 0.01 2 468 56 57 ASN HD22 H 7.328 0.01 2 469 56 57 ASN C C 171.880 0.1 1 470 56 57 ASN CA C 54.468 0.1 1 471 56 57 ASN CB C 37.118 0.1 1 472 56 57 ASN N N 116.436 0.01 1 473 57 58 VAL H H 6.809 0.01 1 474 57 58 VAL HA H 4.454 0.01 1 475 57 58 VAL HB H 2.243 0.01 1 476 57 58 VAL HG1 H 0.668 0.01 2 477 57 58 VAL HG2 H 0.668 0.01 2 478 57 58 VAL C C 175.368 0.1 1 479 57 58 VAL CA C 61.237 0.1 1 480 57 58 VAL CB C 32.706 0.1 1 481 57 58 VAL N N 117.250 0.01 1 482 58 59 PHE H H 8.583 0.01 1 483 58 59 PHE HA H 4.821 0.01 1 484 58 59 PHE HB2 H 3.001 0.01 2 485 58 59 PHE HB3 H 2.711 0.01 2 486 58 59 PHE C C 175.206 0.1 1 487 58 59 PHE CA C 56.760 0.1 1 488 58 59 PHE CB C 43.301 0.1 1 489 58 59 PHE N N 123.762 0.01 1 490 59 60 ILE H H 8.989 0.01 1 491 59 60 ILE HA H 4.933 0.01 1 492 59 60 ILE HB H 2.294 0.01 1 493 59 60 ILE HD1 H 0.761 0.01 1 494 59 60 ILE HG12 H 1.828 0.01 2 495 59 60 ILE HG13 H 1.209 0.01 2 496 59 60 ILE HG2 H 0.909 0.01 1 497 59 60 ILE C C 175.351 0.1 1 498 59 60 ILE CA C 60.635 0.1 1 499 59 60 ILE CB C 37.598 0.1 1 500 59 60 ILE CD1 C 13.719 0.1 1 501 59 60 ILE CG2 C 18.274 0.1 1 502 59 60 ILE N N 123.513 0.01 1 503 60 61 VAL H H 9.203 0.01 1 504 60 61 VAL HA H 5.375 0.01 1 505 60 61 VAL HB H 2.161 0.01 1 506 60 61 VAL HG1 H 0.938 0.01 2 507 60 61 VAL HG2 H 0.760 0.01 2 508 60 61 VAL C C 176.045 0.1 1 509 60 61 VAL CA C 60.368 0.1 1 510 60 61 VAL CB C 31.360 0.1 1 511 60 61 VAL CG1 C 22.667 0.1 2 512 60 61 VAL CG2 C 21.395 0.1 2 513 60 61 VAL N N 127.013 0.01 1 514 61 62 SER H H 8.732 0.01 1 515 61 62 SER HA H 4.492 0.01 1 516 61 62 SER HB2 H 2.209 0.01 2 517 61 62 SER HB3 H 2.209 0.01 2 518 61 62 SER C C 171.697 0.1 1 519 61 62 SER CB C 65.585 0.1 1 520 61 62 SER N N 121.344 0.01 1 521 62 63 PRO HA H 4.492 0.01 1 522 62 63 PRO HB2 H 2.245 0.01 2 523 62 63 PRO HB3 H 1.676 0.01 2 524 62 63 PRO HD2 H 3.679 0.01 2 525 62 63 PRO HD3 H 3.679 0.01 2 526 62 63 PRO HG2 H 1.903 0.01 2 527 62 63 PRO HG3 H 1.903 0.01 2 528 62 63 PRO C C 174.638 0.1 1 529 62 63 PRO CA C 63.124 0.1 1 530 62 63 PRO CB C 31.678 0.1 1 531 62 63 PRO CD C 50.889 0.1 1 532 62 63 PRO CG C 27.299 0.1 1 533 63 64 TYR H H 7.182 0.01 1 534 63 64 TYR HA H 4.824 0.01 1 535 63 64 TYR HB2 H 2.739 0.01 2 536 63 64 TYR HB3 H 2.552 0.01 2 537 63 64 TYR C C 174.141 0.1 1 538 63 64 TYR CA C 54.803 0.1 1 539 63 64 TYR CB C 40.781 0.1 1 540 63 64 TYR N N 112.838 0.01 1 541 64 65 ASN H H 9.258 0.01 1 542 64 65 ASN HB2 H 2.578 0.01 2 543 64 65 ASN HB3 H 2.578 0.01 2 544 64 65 ASN HD21 H 6.761 0.01 . 545 64 65 ASN HD22 H 6.761 0.01 2 546 64 65 ASN C C 174.208 0.1 1 547 64 65 ASN CA C 51.031 0.1 1 548 64 65 ASN CB C 38.714 0.1 1 549 64 65 ASN N N 119.809 0.01 1 550 65 66 HIS H H 8.791 0.01 1 551 65 66 HIS HA H 5.460 0.01 1 552 65 66 HIS HB2 H 3.589 0.01 2 553 65 66 HIS HB3 H 3.196 0.01 2 554 65 66 HIS C C 175.945 0.1 1 555 65 66 HIS CA C 53.786 0.1 1 556 65 66 HIS CB C 30.840 0.1 1 557 65 66 HIS N N 120.540 0.01 1 558 66 67 THR H H 8.408 0.01 1 559 66 67 THR HA H 4.450 0.01 1 560 66 67 THR HB H 4.117 0.01 1 561 66 67 THR HG2 H 1.219 0.01 . 562 66 67 THR C C 175.526 0.1 1 563 66 67 THR CA C 62.376 0.1 1 564 66 67 THR CB C 70.731 0.1 1 565 66 67 THR CG2 C 21.264 0.1 1 566 66 67 THR N N 110.711 0.01 1 567 67 68 ASN H H 8.838 0.01 1 568 67 68 ASN HA H 3.973 0.01 1 569 67 68 ASN HB2 H 2.935 0.01 2 570 67 68 ASN HB3 H 2.935 0.01 2 571 67 68 ASN HD21 H 6.702 0.01 2 572 67 68 ASN HD22 H 6.702 0.01 2 573 67 68 ASN C C 173.559 0.1 1 574 67 68 ASN CA C 52.688 0.1 1 575 67 68 ASN CB C 37.330 0.1 1 576 67 68 ASN N N 120.192 0.01 1 577 68 69 LEU H H 7.743 0.01 1 578 68 69 LEU C C 174.583 0.1 1 579 68 69 LEU CA C 52.260 0.1 1 580 68 69 LEU CB C 42.158 0.1 1 581 68 69 LEU N N 120.122 0.01 1 582 69 70 PRO HA H 4.329 0.01 1 583 69 70 PRO HB2 H 2.221 0.01 2 584 69 70 PRO HB3 H 2.048 0.01 2 585 69 70 PRO HD2 H 3.732 0.01 2 586 69 70 PRO HD3 H 3.559 0.01 2 587 69 70 PRO HG2 H 1.841 0.01 2 588 69 70 PRO HG3 H 1.841 0.01 2 589 69 70 PRO C C 176.447 0.1 1 590 69 70 PRO CA C 64.797 0.1 1 591 69 70 PRO CB C 32.286 0.1 1 592 69 70 PRO CD C 50.141 0.1 1 593 69 70 PRO CG C 28.057 0.1 1 594 70 71 THR H H 8.995 0.01 1 595 70 71 THR HA H 5.834 0.01 1 596 70 71 THR HB H 4.076 0.01 1 597 70 71 THR HG1 H 6.711 0.01 1 598 70 71 THR HG2 H 1.161 0.01 . 599 70 71 THR C C 173.006 0.1 1 600 70 71 THR CA C 61.838 0.1 1 601 70 71 THR CB C 70.320 0.1 1 602 70 71 THR CG2 C 21.396 0.1 1 603 70 71 THR N N 124.970 0.01 1 604 71 72 VAL H H 9.522 0.01 1 605 71 72 VAL HA H 5.331 0.01 1 606 71 72 VAL HB H 1.903 0.01 1 607 71 72 VAL HG1 H 0.852 0.01 2 608 71 72 VAL HG2 H 0.590 0.01 2 609 71 72 VAL C C 173.905 0.1 1 610 71 72 VAL CA C 57.877 0.1 1 611 71 72 VAL CB C 35.459 0.1 1 612 71 72 VAL CG1 C 21.587 0.1 2 613 71 72 VAL CG2 C 19.752 0.1 2 614 71 72 VAL N N 119.933 0.01 1 615 72 73 THR H H 7.808 0.01 1 616 72 73 THR HB H 1.905 0.01 1 617 72 73 THR C C 175.126 0.1 1 618 72 73 THR CA C 59.659 0.1 1 619 72 73 THR CB C 68.998 0.1 1 620 72 73 THR N N 111.833 0.01 1 621 73 74 PRO HA H 3.965 0.01 1 622 73 74 PRO HB2 H 2.256 0.01 2 623 73 74 PRO HB3 H 2.048 0.01 2 624 73 74 PRO HD2 H 3.285 0.01 2 625 73 74 PRO HD3 H 3.285 0.01 2 626 73 74 PRO HG2 H 1.555 0.01 2 627 73 74 PRO HG3 H 1.404 0.01 2 628 73 74 PRO C C 177.959 0.1 1 629 73 74 PRO CA C 65.085 0.1 1 630 73 74 PRO CB C 31.737 0.1 1 631 73 74 PRO CD C 49.766 0.1 1 632 73 74 PRO CG C 28.010 0.1 1 633 74 75 THR H H 7.498 0.01 1 634 74 75 THR HA H 4.246 0.01 1 635 74 75 THR HB H 3.789 0.01 1 636 74 75 THR HG2 H 1.381 0.01 . 637 74 75 THR C C 175.433 0.1 1 638 74 75 THR CA C 65.787 0.1 1 639 74 75 THR CB C 68.656 0.1 1 640 74 75 THR CG2 C 22.452 0.1 1 641 74 75 THR N N 110.929 0.01 1 642 75 76 TYR H H 7.859 0.01 1 643 75 76 TYR HA H 3.398 0.01 1 644 75 76 TYR HB2 H 2.878 0.01 2 645 75 76 TYR HB3 H 2.878 0.01 2 646 75 76 TYR C C 176.742 0.1 1 647 75 76 TYR CA C 61.468 0.1 1 648 75 76 TYR CB C 38.470 0.1 1 649 75 76 TYR N N 122.027 0.01 1 650 76 77 ILE H H 6.916 0.01 1 651 76 77 ILE HA H 3.159 0.01 1 652 76 77 ILE HB H 2.088 0.01 1 653 76 77 ILE HD1 H 0.534 0.01 1 654 76 77 ILE HG12 H 1.397 0.01 2 655 76 77 ILE HG13 H 1.012 0.01 2 656 76 77 ILE HG2 H 0.580 0.01 1 657 76 77 ILE C C 178.228 0.1 1 658 76 77 ILE CA C 62.028 0.1 1 659 76 77 ILE CB C 35.517 0.1 1 660 76 77 ILE CD1 C 9.217 0.1 1 661 76 77 ILE CG2 C 18.205 0.1 1 662 76 77 ILE N N 116.463 0.01 1 663 77 78 LYS H H 7.537 0.01 1 664 77 78 LYS HA H 3.197 0.01 1 665 77 78 LYS HB2 H 2.103 0.01 2 666 77 78 LYS HB3 H 2.024 0.01 2 667 77 78 LYS C C 178.241 0.1 1 668 77 78 LYS CA C 58.678 0.1 1 669 77 78 LYS CB C 31.727 0.1 1 670 77 78 LYS N N 118.049 0.01 1 671 78 79 ALA H H 8.286 0.01 1 672 78 79 ALA HA H 4.055 0.01 1 673 78 79 ALA HB H 1.265 0.01 1 674 78 79 ALA C C 181.409 0.1 1 675 78 79 ALA CA C 55.138 0.1 1 676 78 79 ALA CB C 18.008 0.1 1 677 78 79 ALA N N 121.804 0.01 1 678 79 80 CYS H H 8.007 0.01 1 679 79 80 CYS HA H 3.644 0.01 1 680 79 80 CYS HB2 H 2.707 0.01 2 681 79 80 CYS HB3 H 2.423 0.01 2 682 79 80 CYS C C 177.028 0.1 1 683 79 80 CYS CA C 55.748 0.1 1 684 79 80 CYS CB C 27.559 0.1 1 685 79 80 CYS N N 118.613 0.01 1 686 80 81 CYS H H 7.541 0.01 . 687 80 81 CYS HA H 4.797 0.01 1 688 80 81 CYS HB2 H 3.980 0.01 2 689 80 81 CYS HB3 H 3.297 0.01 2 690 80 81 CYS C C 176.821 0.1 1 691 80 81 CYS CA C 63.305 0.1 1 692 80 81 CYS CB C 26.957 0.1 1 693 80 81 CYS N N 115.984 0.01 1 694 81 82 GLN H H 8.277 0.01 1 695 81 82 GLN HA H 4.130 0.01 1 696 81 82 GLN HB2 H 2.091 0.01 2 697 81 82 GLN HB3 H 2.091 0.01 2 698 81 82 GLN HG2 H 2.416 0.01 2 699 81 82 GLN HG3 H 2.416 0.01 2 700 81 82 GLN C C 177.180 0.1 1 701 81 82 GLN CA C 58.015 0.1 1 702 81 82 GLN CB C 28.571 0.1 1 703 81 82 GLN CG C 33.812 0.1 1 704 81 82 GLN N N 118.993 0.01 1 705 82 83 SER H H 7.651 0.01 1 706 82 83 SER HA H 4.375 0.01 1 707 82 83 SER HB2 H 3.949 0.01 2 708 82 83 SER HB3 H 3.949 0.01 2 709 82 83 SER C C 174.203 0.1 1 710 82 83 SER CA C 58.761 0.1 1 711 82 83 SER CB C 64.369 0.1 1 712 82 83 SER N N 111.941 0.01 1 713 83 84 ASN H H 7.908 0.01 1 714 83 84 ASN HA H 4.323 0.01 1 715 83 84 ASN HB2 H 3.182 0.01 2 716 83 84 ASN HB3 H 2.645 0.01 2 717 83 84 ASN C C 174.164 0.1 1 718 83 84 ASN CA C 53.880 0.1 1 719 83 84 ASN CB C 37.853 0.1 1 720 83 84 ASN N N 120.482 0.01 1 721 84 85 SER H H 8.229 0.01 1 722 84 85 SER HA H 4.568 0.01 1 723 84 85 SER HB2 H 3.624 0.01 2 724 84 85 SER HB3 H 3.624 0.01 2 725 84 85 SER C C 171.382 0.1 1 726 84 85 SER CA C 57.683 0.1 1 727 84 85 SER CB C 65.974 0.1 1 728 84 85 SER N N 112.303 0.01 1 729 85 86 LEU H H 8.353 0.01 1 730 85 86 LEU HA H 4.245 0.01 1 731 85 86 LEU HB2 H 1.668 0.01 2 732 85 86 LEU HB3 H 1.668 0.01 2 733 85 86 LEU HD1 H 0.897 0.01 2 734 85 86 LEU HD2 H 0.897 0.01 2 735 85 86 LEU C C 177.702 0.1 1 736 85 86 LEU CA C 56.230 0.1 1 737 85 86 LEU CB C 41.450 0.1 1 738 85 86 LEU CD1 C 24.560 0.1 2 739 85 86 LEU CD2 C 24.560 0.1 2 740 85 86 LEU CG C 27.460 0.1 1 741 85 86 LEU N N 123.350 0.01 1 742 86 87 LEU H H 8.171 0.01 1 743 86 87 LEU HA H 4.357 0.01 1 744 86 87 LEU HB2 H 1.855 0.01 2 745 86 87 LEU HB3 H 1.546 0.01 2 746 86 87 LEU C C 176.413 0.1 1 747 86 87 LEU CA C 53.931 0.1 1 748 86 87 LEU CB C 40.697 0.1 1 749 86 87 LEU CD1 C 25.713 0.1 . 750 86 87 LEU CD2 C 25.713 0.1 . 751 86 87 LEU CG C 27.092 0.1 1 752 86 87 LEU N N 118.141 0.01 1 753 87 88 ASN H H 7.243 0.01 1 754 87 88 ASN HA H 4.386 0.01 1 755 87 88 ASN HB2 H 1.885 0.01 2 756 87 88 ASN HB3 H 1.607 0.01 2 757 87 88 ASN N N 127.772 0.01 1 758 89 90 GLU H H 8.396 0.01 1 759 89 90 GLU HA H 3.947 0.01 1 760 89 90 GLU HB2 H 2.083 0.01 2 761 89 90 GLU HB3 H 1.998 0.01 2 762 89 90 GLU HG2 H 2.301 0.01 2 763 89 90 GLU HG3 H 2.301 0.01 2 764 89 90 GLU C C 178.126 0.1 1 765 89 90 GLU CA C 60.328 0.1 1 766 89 90 GLU CB C 29.328 0.1 1 767 89 90 GLU CG C 35.894 0.1 1 768 89 90 GLU N N 119.605 0.01 1 769 90 91 ASN H H 8.422 0.01 1 770 90 91 ASN HA H 4.655 0.01 1 771 90 91 ASN HB2 H 2.631 0.01 2 772 90 91 ASN HB3 H 2.464 0.01 2 773 90 91 ASN HD21 H 6.917 0.01 2 774 90 91 ASN HD22 H 7.159 0.01 2 775 90 91 ASN C C 174.764 0.1 1 776 90 91 ASN CA C 55.298 0.1 1 777 90 91 ASN CB C 37.997 0.1 1 778 90 91 ASN N N 114.264 0.1 1 779 91 92 TYR H H 8.233 0.01 1 780 91 92 TYR HA H 4.532 0.01 1 781 91 92 TYR HB2 H 3.241 0.01 2 782 91 92 TYR HB3 H 2.280 0.01 2 783 91 92 TYR C C 174.321 0.1 1 784 91 92 TYR CA C 58.011 0.1 1 785 91 92 TYR CB C 40.000 0.1 1 786 91 92 TYR N N 117.984 0.01 1 787 92 93 LEU H H 6.891 0.01 1 788 92 93 LEU HA H 4.835 0.01 1 789 92 93 LEU HB2 H 1.663 0.01 2 790 92 93 LEU HB3 H 1.521 0.01 2 791 92 93 LEU HD1 H 0.949 0.01 2 792 92 93 LEU HD2 H 0.949 0.01 2 793 92 93 LEU C C 177.864 0.1 1 794 92 93 LEU CA C 55.360 0.1 1 795 92 93 LEU CB C 42.529 0.1 1 796 92 93 LEU CD1 C 23.009 0.1 2 797 92 93 LEU CD2 C 23.009 0.1 2 798 92 93 LEU CG C 25.975 0.1 1 799 92 93 LEU N N 120.375 0.01 1 800 93 94 VAL H H 8.733 0.01 1 801 93 94 VAL C C 174.850 0.1 1 802 93 94 VAL CA C 59.850 0.1 1 803 93 94 VAL CB C 33.005 0.1 1 804 93 94 VAL CG1 C 25.975 0.1 2 805 93 94 VAL CG2 C 23.009 0.1 2 806 93 94 VAL N N 126.676 0.01 1 807 94 95 PRO HA H 4.593 0.01 1 808 94 95 PRO HB2 H 2.323 0.01 2 809 94 95 PRO HB3 H 1.966 0.01 2 810 94 95 PRO HD2 H 4.049 0.01 2 811 94 95 PRO HD3 H 3.836 0.01 2 812 94 95 PRO HG2 H 2.031 0.01 2 813 94 95 PRO HG3 H 2.031 0.01 2 814 94 95 PRO C C 176.416 0.1 1 815 94 95 PRO CA C 62.359 0.1 1 816 94 95 PRO CB C 32.244 0.1 1 817 94 95 PRO CD C 51.143 0.1 1 818 94 95 PRO CG C 27.092 0.1 1 819 95 96 TYR H H 8.684 0.01 1 820 95 96 TYR HA H 4.669 0.01 1 821 95 96 TYR HB2 H 3.088 0.01 2 822 95 96 TYR HB3 H 2.753 0.01 2 823 95 96 TYR C C 175.438 0.1 1 824 95 96 TYR CA C 57.045 0.1 1 825 95 96 TYR CB C 39.114 0.1 1 826 95 96 TYR N N 122.747 0.01 1 827 96 97 ASP H H 8.281 0.01 1 828 96 97 ASP HA H 4.511 0.01 1 829 96 97 ASP HB2 H 2.690 0.01 2 830 96 97 ASP HB3 H 2.690 0.01 2 831 96 97 ASP C C 174.585 0.1 1 832 96 97 ASP CA C 53.286 0.1 1 833 96 97 ASP CB C 41.804 0.1 1 834 96 97 ASP N N 127.828 0.01 1 835 97 98 ASN H H 7.653 0.01 1 836 97 98 ASN HA H 4.274 0.01 1 837 97 98 ASN HB2 H 2.647 0.01 2 838 97 98 ASN HB3 H 2.647 0.01 2 839 97 98 ASN C C 175.306 0.1 1 840 97 98 ASN CA C 53.053 0.1 1 841 97 98 ASN CB C 38.181 0.1 1 842 97 98 ASN N N 119.890 0.01 1 stop_ save_