data_11200 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PDZ domain of Pals1 protein ; _BMRB_accession_number 11200 _BMRB_flat_file_name bmr11200.str _Entry_type original _Submission_date 2010-07-22 _Accession_date 2010-07-23 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Qin X. . . 2 Hayashi F. . . 3 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" 624 "13C chemical shifts" 478 "15N chemical shifts" 114 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-07-21 original author . stop_ _Original_release_date 2011-07-21 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the PDZ domain of Pals1 protein' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Qin X. . . 2 Hayashi F. . . 3 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 'MAGUK p55 subfamily member 5' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'MAGUK p55 subfamily member 5' $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 'PDZ domain' _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 113 _Mol_residue_sequence ; GSSGSSGPITDERVYESIGH YGGETVKIVRIEKARDIPLG ATVRNEMDSVIISRIVKGGA AEKSGLLHEGDEVLEINGIE IRGKDVNEVFDLLSDMHGTL TFVLIPSSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 PRO 9 ILE 10 THR 11 ASP 12 GLU 13 ARG 14 VAL 15 TYR 16 GLU 17 SER 18 ILE 19 GLY 20 HIS 21 TYR 22 GLY 23 GLY 24 GLU 25 THR 26 VAL 27 LYS 28 ILE 29 VAL 30 ARG 31 ILE 32 GLU 33 LYS 34 ALA 35 ARG 36 ASP 37 ILE 38 PRO 39 LEU 40 GLY 41 ALA 42 THR 43 VAL 44 ARG 45 ASN 46 GLU 47 MET 48 ASP 49 SER 50 VAL 51 ILE 52 ILE 53 SER 54 ARG 55 ILE 56 VAL 57 LYS 58 GLY 59 GLY 60 ALA 61 ALA 62 GLU 63 LYS 64 SER 65 GLY 66 LEU 67 LEU 68 HIS 69 GLU 70 GLY 71 ASP 72 GLU 73 VAL 74 LEU 75 GLU 76 ILE 77 ASN 78 GLY 79 ILE 80 GLU 81 ILE 82 ARG 83 GLY 84 LYS 85 ASP 86 VAL 87 ASN 88 GLU 89 VAL 90 PHE 91 ASP 92 LEU 93 LEU 94 SER 95 ASP 96 MET 97 HIS 98 GLY 99 THR 100 LEU 101 THR 102 PHE 103 VAL 104 LEU 105 ILE 106 PRO 107 SER 108 SER 109 GLY 110 PRO 111 SER 112 SER 113 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 1VA8 "Solution Structure Of The Pdz Domain Of Pals1 Protein" 100.00 113 100.00 100.00 3.33e-71 PDB 4UU5 "Crystal Structure Of The Pdz Domain Of Pals1 In Complex With The Crb Peptide" 75.22 90 100.00 100.00 4.32e-50 PDB 4UU6 "Crystal Structure Of The Pdz Domain Of Pals1" 75.22 90 100.00 100.00 4.32e-50 DBJ BAB14172 "unnamed protein product [Homo sapiens]" 88.50 503 99.00 99.00 6.86e-59 DBJ BAC05295 "unnamed protein product [Homo sapiens]" 88.50 441 98.00 99.00 1.77e-57 DBJ BAF83929 "unnamed protein product [Homo sapiens]" 88.50 675 99.00 99.00 1.28e-57 DBJ BAG11109 "MAGUK p55 subfamily member 5 [synthetic construct]" 88.50 675 99.00 99.00 1.28e-57 EMBL CAD38620 "hypothetical protein [Homo sapiens]" 88.50 675 99.00 99.00 1.28e-57 EMBL CAD89937 "hypothetical protein [Homo sapiens]" 88.50 641 99.00 99.00 3.97e-58 EMBL CAH90105 "hypothetical protein [Pongo abelii]" 88.50 675 98.00 99.00 3.34e-57 EMBL CAL37477 "hypothetical protein [synthetic construct]" 88.50 675 99.00 99.00 1.28e-57 EMBL CAL37737 "hypothetical protein [synthetic construct]" 88.50 641 99.00 99.00 3.97e-58 GB AAF63789 "PALS1 [Mus musculus]" 88.50 675 100.00 100.00 1.12e-58 GB AAH53366 "MPP5 protein, partial [Homo sapiens]" 88.50 446 99.00 99.00 4.40e-58 GB AAH95485 "Membrane protein, palmitoylated 5 (MAGUK p55 subfamily member 5) [Homo sapiens]" 88.50 675 99.00 99.00 1.28e-57 GB AAI29934 "Membrane protein, palmitoylated 5 (MAGUK p55 subfamily member 5) [Homo sapiens]" 88.50 675 99.00 99.00 1.28e-57 GB AAI38625 "Membrane protein, palmitoylated 5 (MAGUK p55 subfamily member 5) [Mus musculus]" 88.50 675 100.00 100.00 1.12e-58 REF NP_001101504 "MAGUK p55 subfamily member 5 [Rattus norvegicus]" 88.50 675 100.00 100.00 1.12e-58 REF NP_001125010 "MAGUK p55 subfamily member 5 [Pongo abelii]" 88.50 675 98.00 99.00 3.34e-57 REF NP_001192880 "MAGUK p55 subfamily member 5 [Bos taurus]" 88.50 675 98.00 99.00 1.81e-57 REF NP_001243479 "MAGUK p55 subfamily member 5 isoform 2 [Homo sapiens]" 88.50 641 99.00 99.00 4.22e-58 REF NP_062525 "MAGUK p55 subfamily member 5 [Mus musculus]" 88.50 675 100.00 100.00 1.12e-58 SP Q5RDQ2 "RecName: Full=MAGUK p55 subfamily member 5" 88.50 675 98.00 99.00 3.34e-57 SP Q8N3R9 "RecName: Full=MAGUK p55 subfamily member 5" 88.50 675 99.00 99.00 1.28e-57 SP Q9JLB2 "RecName: Full=MAGUK p55 subfamily member 5; AltName: Full=Protein associated with Lin-7 1" 88.50 675 100.00 100.00 1.12e-58 TPG DAA25125 "TPA: membrane protein, palmitoylated 3 (MAGUK p55 subfamily member 5)-like [Bos taurus]" 88.50 675 98.00 99.00 1.81e-57 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 '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 P030203-38 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.05mM 13C, 15N-labeled {protein;} 20mM {PiNa(pH6.0);} 100mM {NaCl;} {1mMd10-DTT;} 0.02% NaN3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.05 mM '[U-13C; U-15N]' PiNa 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d10-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 JohnsonB.A. . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.854 loop_ _Vendor _Address _Electronic_address KobayashiN. . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address GuntertP. . . 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 'MAGUK p55 subfamily member 5' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER HA H 4.580 0.030 1 2 2 2 SER HB2 H 3.901 0.030 1 3 2 2 SER HB3 H 3.901 0.030 1 4 2 2 SER C C 174.744 0.300 1 5 2 2 SER CA C 58.416 0.300 1 6 2 2 SER CB C 64.085 0.300 1 7 3 3 SER H H 8.584 0.030 1 8 3 3 SER HA H 4.487 0.030 1 9 3 3 SER HB2 H 3.918 0.030 1 10 3 3 SER HB3 H 3.918 0.030 1 11 3 3 SER C C 175.028 0.300 1 12 3 3 SER CA C 58.627 0.300 1 13 3 3 SER CB C 63.847 0.300 1 14 3 3 SER N N 118.072 0.300 1 15 4 4 GLY H H 8.469 0.030 1 16 4 4 GLY HA2 H 4.022 0.030 1 17 4 4 GLY HA3 H 4.022 0.030 1 18 4 4 GLY C C 174.291 0.300 1 19 4 4 GLY CA C 45.412 0.300 1 20 4 4 GLY N N 110.934 0.300 1 21 5 5 SER H H 8.274 0.030 1 22 5 5 SER HA H 4.482 0.030 1 23 5 5 SER HB2 H 3.909 0.030 1 24 5 5 SER HB3 H 3.909 0.030 1 25 5 5 SER C C 174.679 0.300 1 26 5 5 SER CA C 58.350 0.300 1 27 5 5 SER CB C 63.956 0.300 1 28 5 5 SER N N 115.735 0.300 1 29 6 6 SER H H 8.429 0.030 1 30 6 6 SER HA H 4.531 0.030 1 31 6 6 SER HB2 H 3.901 0.030 1 32 6 6 SER HB3 H 3.901 0.030 1 33 6 6 SER C C 174.446 0.300 1 34 6 6 SER CA C 58.410 0.300 1 35 6 6 SER CB C 63.969 0.300 1 36 6 6 SER N N 117.790 0.300 1 37 7 7 GLY H H 8.210 0.030 1 38 7 7 GLY HA2 H 4.093 0.030 1 39 7 7 GLY HA3 H 4.093 0.030 1 40 7 7 GLY C C 171.554 0.300 1 41 7 7 GLY CA C 44.671 0.300 1 42 7 7 GLY N N 110.687 0.300 1 43 8 8 PRO HA H 4.452 0.030 1 44 8 8 PRO HB2 H 2.257 0.030 2 45 8 8 PRO HB3 H 1.888 0.030 2 46 8 8 PRO HD2 H 3.613 0.030 1 47 8 8 PRO HD3 H 3.613 0.030 1 48 8 8 PRO HG2 H 1.992 0.030 1 49 8 8 PRO HG3 H 1.992 0.030 1 50 8 8 PRO C C 177.073 0.300 1 51 8 8 PRO CA C 63.099 0.300 1 52 8 8 PRO CB C 32.206 0.300 1 53 8 8 PRO CD C 49.776 0.300 1 54 8 8 PRO CG C 27.163 0.300 1 55 9 9 ILE H H 8.353 0.030 1 56 9 9 ILE HA H 4.213 0.030 1 57 9 9 ILE HB H 1.867 0.030 1 58 9 9 ILE HD1 H 0.847 0.030 1 59 9 9 ILE HG12 H 1.498 0.030 2 60 9 9 ILE HG13 H 1.206 0.030 2 61 9 9 ILE HG2 H 0.910 0.030 1 62 9 9 ILE C C 176.536 0.300 1 63 9 9 ILE CA C 61.240 0.300 1 64 9 9 ILE CB C 38.555 0.300 1 65 9 9 ILE CD1 C 12.911 0.300 1 66 9 9 ILE CG1 C 27.389 0.300 1 67 9 9 ILE CG2 C 17.681 0.300 1 68 9 9 ILE N N 121.419 0.300 1 69 10 10 THR H H 8.187 0.030 1 70 10 10 THR HA H 4.373 0.030 1 71 10 10 THR HB H 4.235 0.030 1 72 10 10 THR HG2 H 1.164 0.030 1 73 10 10 THR C C 174.044 0.300 1 74 10 10 THR CA C 61.529 0.300 1 75 10 10 THR CB C 69.948 0.300 1 76 10 10 THR CG2 C 21.569 0.300 1 77 10 10 THR N N 118.018 0.300 1 78 11 11 ASP H H 8.277 0.030 1 79 11 11 ASP HA H 4.605 0.030 1 80 11 11 ASP HB2 H 2.729 0.030 2 81 11 11 ASP HB3 H 2.613 0.030 2 82 11 11 ASP C C 176.129 0.300 1 83 11 11 ASP CA C 54.277 0.300 1 84 11 11 ASP CB C 41.295 0.300 1 85 11 11 ASP N N 122.865 0.300 1 86 12 12 GLU H H 8.475 0.030 1 87 12 12 GLU HA H 4.227 0.030 1 88 12 12 GLU HB2 H 2.060 0.030 2 89 12 12 GLU HB3 H 1.931 0.030 2 90 12 12 GLU HG2 H 2.272 0.030 2 91 12 12 GLU HG3 H 2.231 0.030 2 92 12 12 GLU C C 176.581 0.300 1 93 12 12 GLU CA C 57.041 0.300 1 94 12 12 GLU CB C 30.103 0.300 1 95 12 12 GLU CG C 36.245 0.300 1 96 12 12 GLU N N 121.871 0.300 1 97 13 13 ARG H H 8.315 0.030 1 98 13 13 ARG HA H 4.241 0.030 1 99 13 13 ARG HB2 H 1.741 0.030 1 100 13 13 ARG HB3 H 1.741 0.030 1 101 13 13 ARG HD2 H 3.147 0.030 1 102 13 13 ARG HD3 H 3.147 0.030 1 103 13 13 ARG HE H 7.365 0.030 1 104 13 13 ARG HG2 H 1.559 0.030 2 105 13 13 ARG HG3 H 1.527 0.030 2 106 13 13 ARG C C 176.355 0.300 1 107 13 13 ARG CA C 56.404 0.300 1 108 13 13 ARG CB C 30.583 0.300 1 109 13 13 ARG CD C 43.339 0.300 1 110 13 13 ARG CG C 26.989 0.300 1 111 13 13 ARG N N 121.517 0.300 1 112 13 13 ARG NE N 117.946 0.300 1 113 14 14 VAL H H 7.981 0.030 1 114 14 14 VAL HA H 4.033 0.030 1 115 14 14 VAL HB H 1.979 0.030 1 116 14 14 VAL HG1 H 0.870 0.030 1 117 14 14 VAL HG2 H 0.873 0.030 1 118 14 14 VAL C C 176.031 0.300 1 119 14 14 VAL CA C 62.639 0.300 1 120 14 14 VAL CB C 32.660 0.300 1 121 14 14 VAL CG1 C 20.824 0.300 2 122 14 14 VAL CG2 C 20.840 0.300 2 123 14 14 VAL N N 120.598 0.300 1 124 15 15 TYR H H 8.245 0.030 1 125 15 15 TYR HA H 4.496 0.030 1 126 15 15 TYR HB2 H 3.045 0.030 2 127 15 15 TYR HB3 H 2.881 0.030 2 128 15 15 TYR HD1 H 7.057 0.030 1 129 15 15 TYR HD2 H 7.057 0.030 1 130 15 15 TYR HE1 H 6.740 0.030 1 131 15 15 TYR HE2 H 6.740 0.030 1 132 15 15 TYR C C 175.604 0.300 1 133 15 15 TYR CA C 58.367 0.300 1 134 15 15 TYR CB C 38.939 0.300 1 135 15 15 TYR CD1 C 132.969 0.300 1 136 15 15 TYR CD2 C 132.969 0.300 1 137 15 15 TYR CE1 C 118.015 0.300 1 138 15 15 TYR CE2 C 118.015 0.300 1 139 15 15 TYR N N 123.366 0.300 1 140 16 16 GLU H H 8.148 0.030 1 141 16 16 GLU HA H 4.404 0.030 1 142 16 16 GLU HB2 H 2.007 0.030 2 143 16 16 GLU HB3 H 1.917 0.030 2 144 16 16 GLU HG2 H 2.224 0.030 1 145 16 16 GLU HG3 H 2.224 0.030 1 146 16 16 GLU C C 176.031 0.300 1 147 16 16 GLU CA C 56.361 0.300 1 148 16 16 GLU CB C 30.791 0.300 1 149 16 16 GLU CG C 36.206 0.300 1 150 16 16 GLU N N 121.997 0.300 1 151 17 17 SER H H 8.286 0.030 1 152 17 17 SER HA H 4.475 0.030 1 153 17 17 SER HB2 H 3.921 0.030 2 154 17 17 SER HB3 H 3.834 0.030 2 155 17 17 SER C C 174.491 0.300 1 156 17 17 SER CA C 58.357 0.300 1 157 17 17 SER CB C 64.010 0.300 1 158 17 17 SER N N 116.456 0.300 1 159 18 18 ILE H H 8.384 0.030 1 160 18 18 ILE HA H 4.256 0.030 1 161 18 18 ILE HB H 1.865 0.030 1 162 18 18 ILE HD1 H 0.823 0.030 1 163 18 18 ILE HG12 H 1.461 0.030 2 164 18 18 ILE HG13 H 1.205 0.030 2 165 18 18 ILE HG2 H 0.877 0.030 1 166 18 18 ILE C C 177.060 0.300 1 167 18 18 ILE CA C 61.466 0.300 1 168 18 18 ILE CB C 38.668 0.300 1 169 18 18 ILE CD1 C 13.086 0.300 1 170 18 18 ILE CG1 C 27.458 0.300 1 171 18 18 ILE CG2 C 17.599 0.300 1 172 18 18 ILE N N 122.253 0.300 1 173 19 19 GLY H H 8.517 0.030 1 174 19 19 GLY HA2 H 3.945 0.030 2 175 19 19 GLY HA3 H 3.705 0.030 2 176 19 19 GLY C C 173.565 0.300 1 177 19 19 GLY CA C 45.074 0.300 1 178 19 19 GLY N N 111.426 0.300 1 179 20 20 HIS H H 8.186 0.030 1 180 20 20 HIS HA H 4.685 0.030 1 181 20 20 HIS HB2 H 3.018 0.030 2 182 20 20 HIS HB3 H 2.988 0.030 2 183 20 20 HIS HD2 H 6.990 0.030 1 184 20 20 HIS C C 174.270 0.300 1 185 20 20 HIS CA C 55.460 0.300 1 186 20 20 HIS CB C 29.592 0.300 1 187 20 20 HIS CD2 C 119.739 0.300 1 188 20 20 HIS N N 117.963 0.300 1 189 21 21 TYR H H 8.364 0.030 1 190 21 21 TYR HA H 4.577 0.030 1 191 21 21 TYR HB2 H 3.041 0.030 2 192 21 21 TYR HB3 H 2.747 0.030 2 193 21 21 TYR HD1 H 7.018 0.030 1 194 21 21 TYR HD2 H 7.018 0.030 1 195 21 21 TYR HE1 H 6.747 0.030 1 196 21 21 TYR HE2 H 6.747 0.030 1 197 21 21 TYR C C 176.303 0.300 1 198 21 21 TYR CA C 57.748 0.300 1 199 21 21 TYR CB C 38.919 0.300 1 200 21 21 TYR CD1 C 133.082 0.300 1 201 21 21 TYR CD2 C 133.082 0.300 1 202 21 21 TYR CE1 C 118.000 0.300 1 203 21 21 TYR CE2 C 118.000 0.300 1 204 21 21 TYR N N 121.637 0.300 1 205 22 22 GLY H H 8.424 0.030 1 206 22 22 GLY HA2 H 3.884 0.030 1 207 22 22 GLY HA3 H 3.884 0.030 1 208 22 22 GLY C C 174.754 0.300 1 209 22 22 GLY CA C 46.117 0.300 1 210 22 22 GLY N N 111.079 0.300 1 211 23 23 GLY H H 8.364 0.030 1 212 23 23 GLY HA2 H 4.014 0.030 2 213 23 23 GLY HA3 H 3.929 0.030 2 214 23 23 GLY C C 174.362 0.300 1 215 23 23 GLY CA C 45.349 0.300 1 216 23 23 GLY N N 109.492 0.300 1 217 24 24 GLU H H 8.247 0.030 1 218 24 24 GLU HA H 4.438 0.030 1 219 24 24 GLU HB2 H 2.074 0.030 2 220 24 24 GLU HB3 H 1.964 0.030 2 221 24 24 GLU HG2 H 2.287 0.030 1 222 24 24 GLU HG3 H 2.287 0.030 1 223 24 24 GLU C C 176.484 0.300 1 224 24 24 GLU CA C 56.381 0.300 1 225 24 24 GLU CB C 30.583 0.300 1 226 24 24 GLU CG C 36.108 0.300 1 227 24 24 GLU N N 119.993 0.300 1 228 25 25 THR H H 8.490 0.030 1 229 25 25 THR HA H 4.357 0.030 1 230 25 25 THR HB H 4.174 0.030 1 231 25 25 THR HG2 H 1.195 0.030 1 232 25 25 THR C C 173.863 0.300 1 233 25 25 THR CA C 62.611 0.300 1 234 25 25 THR CB C 69.336 0.300 1 235 25 25 THR CG2 C 21.904 0.300 1 236 25 25 THR N N 116.837 0.300 1 237 26 26 VAL H H 7.708 0.030 1 238 26 26 VAL HA H 4.814 0.030 1 239 26 26 VAL HB H 1.951 0.030 1 240 26 26 VAL HG1 H 0.656 0.030 1 241 26 26 VAL HG2 H 0.676 0.030 1 242 26 26 VAL C C 175.235 0.300 1 243 26 26 VAL CA C 60.078 0.300 1 244 26 26 VAL CB C 34.148 0.300 1 245 26 26 VAL CG1 C 21.886 0.300 2 246 26 26 VAL CG2 C 19.290 0.300 2 247 26 26 VAL N N 118.523 0.300 1 248 27 27 LYS H H 9.161 0.030 1 249 27 27 LYS HA H 4.772 0.030 1 250 27 27 LYS HB2 H 1.617 0.030 1 251 27 27 LYS HB3 H 1.617 0.030 1 252 27 27 LYS HD2 H 1.642 0.030 1 253 27 27 LYS HD3 H 1.642 0.030 1 254 27 27 LYS HE2 H 2.904 0.030 2 255 27 27 LYS HE3 H 2.831 0.030 2 256 27 27 LYS HG2 H 1.417 0.030 2 257 27 27 LYS HG3 H 1.265 0.030 2 258 27 27 LYS C C 173.999 0.300 1 259 27 27 LYS CA C 54.323 0.300 1 260 27 27 LYS CB C 36.603 0.300 1 261 27 27 LYS CD C 29.541 0.300 1 262 27 27 LYS CE C 42.085 0.300 1 263 27 27 LYS CG C 25.002 0.300 1 264 27 27 LYS N N 123.468 0.300 1 265 28 28 ILE H H 8.599 0.030 1 266 28 28 ILE HA H 5.133 0.030 1 267 28 28 ILE HB H 1.713 0.030 1 268 28 28 ILE HD1 H 0.804 0.030 1 269 28 28 ILE HG12 H 1.503 0.030 2 270 28 28 ILE HG13 H 1.056 0.030 2 271 28 28 ILE HG2 H 0.728 0.030 1 272 28 28 ILE C C 176.587 0.300 1 273 28 28 ILE CA C 60.317 0.300 1 274 28 28 ILE CB C 38.889 0.300 1 275 28 28 ILE CD1 C 13.720 0.300 1 276 28 28 ILE CG1 C 28.459 0.300 1 277 28 28 ILE CG2 C 17.783 0.300 1 278 28 28 ILE N N 125.018 0.300 1 279 29 29 VAL H H 9.058 0.030 1 280 29 29 VAL HA H 4.804 0.030 1 281 29 29 VAL HB H 2.004 0.030 1 282 29 29 VAL HG1 H 0.881 0.030 1 283 29 29 VAL HG2 H 0.825 0.030 1 284 29 29 VAL C C 173.675 0.300 1 285 29 29 VAL CA C 59.673 0.300 1 286 29 29 VAL CB C 35.902 0.300 1 287 29 29 VAL CG1 C 21.952 0.300 2 288 29 29 VAL CG2 C 20.225 0.300 2 289 29 29 VAL N N 123.290 0.300 1 290 30 30 ARG H H 8.454 0.030 1 291 30 30 ARG HA H 5.524 0.030 1 292 30 30 ARG HB2 H 1.618 0.030 2 293 30 30 ARG HB3 H 1.524 0.030 2 294 30 30 ARG HD2 H 3.086 0.030 2 295 30 30 ARG HD3 H 3.035 0.030 2 296 30 30 ARG HE H 7.164 0.030 1 297 30 30 ARG HG2 H 1.523 0.030 1 298 30 30 ARG HG3 H 1.523 0.030 1 299 30 30 ARG C C 175.216 0.300 1 300 30 30 ARG CA C 54.655 0.300 1 301 30 30 ARG CB C 32.426 0.300 1 302 30 30 ARG CD C 43.566 0.300 1 303 30 30 ARG CG C 27.922 0.300 1 304 30 30 ARG N N 124.327 0.300 1 305 30 30 ARG NE N 118.103 0.300 1 306 31 31 ILE H H 9.126 0.030 1 307 31 31 ILE HA H 4.419 0.030 1 308 31 31 ILE HB H 1.812 0.030 1 309 31 31 ILE HD1 H 0.542 0.030 1 310 31 31 ILE HG12 H 1.343 0.030 2 311 31 31 ILE HG13 H 1.106 0.030 2 312 31 31 ILE HG2 H 0.742 0.030 1 313 31 31 ILE C C 174.200 0.300 1 314 31 31 ILE CA C 59.130 0.300 1 315 31 31 ILE CB C 41.599 0.300 1 316 31 31 ILE CD1 C 13.517 0.300 1 317 31 31 ILE CG1 C 27.597 0.300 1 318 31 31 ILE CG2 C 16.905 0.300 1 319 31 31 ILE N N 122.031 0.300 1 320 32 32 GLU H H 8.674 0.030 1 321 32 32 GLU HA H 4.698 0.030 1 322 32 32 GLU HB2 H 1.895 0.030 2 323 32 32 GLU HB3 H 1.857 0.030 2 324 32 32 GLU HG2 H 2.160 0.030 1 325 32 32 GLU HG3 H 2.160 0.030 1 326 32 32 GLU C C 175.494 0.300 1 327 32 32 GLU CA C 55.364 0.300 1 328 32 32 GLU CB C 30.160 0.300 1 329 32 32 GLU CG C 35.776 0.300 1 330 32 32 GLU N N 126.242 0.300 1 331 33 33 LYS H H 8.834 0.030 1 332 33 33 LYS HA H 4.495 0.030 1 333 33 33 LYS HB2 H 1.813 0.030 2 334 33 33 LYS HB3 H 1.436 0.030 2 335 33 33 LYS HD2 H 1.710 0.030 2 336 33 33 LYS HD3 H 1.483 0.030 2 337 33 33 LYS HE2 H 3.168 0.030 1 338 33 33 LYS HE3 H 3.168 0.030 1 339 33 33 LYS HG2 H 1.551 0.030 2 340 33 33 LYS HG3 H 1.345 0.030 2 341 33 33 LYS C C 174.666 0.300 1 342 33 33 LYS CA C 55.160 0.300 1 343 33 33 LYS CB C 34.769 0.300 1 344 33 33 LYS CD C 29.358 0.300 1 345 33 33 LYS CE C 42.108 0.300 1 346 33 33 LYS CG C 23.999 0.300 1 347 33 33 LYS N N 126.961 0.300 1 348 34 34 ALA H H 8.545 0.030 1 349 34 34 ALA HA H 4.521 0.030 1 350 34 34 ALA HB H 1.498 0.030 1 351 34 34 ALA C C 178.082 0.300 1 352 34 34 ALA CA C 52.007 0.300 1 353 34 34 ALA CB C 19.670 0.300 1 354 34 34 ALA N N 130.614 0.300 1 355 35 35 ARG H H 8.829 0.030 1 356 35 35 ARG HA H 3.896 0.030 1 357 35 35 ARG HB2 H 1.612 0.030 2 358 35 35 ARG HB3 H 1.525 0.030 2 359 35 35 ARG HD2 H 2.964 0.030 1 360 35 35 ARG HD3 H 2.964 0.030 1 361 35 35 ARG HG2 H 1.401 0.030 2 362 35 35 ARG HG3 H 1.373 0.030 2 363 35 35 ARG C C 176.517 0.300 1 364 35 35 ARG CA C 58.651 0.300 1 365 35 35 ARG CB C 30.287 0.300 1 366 35 35 ARG CD C 43.288 0.300 1 367 35 35 ARG CG C 27.111 0.300 1 368 35 35 ARG N N 120.895 0.300 1 369 36 36 ASP H H 8.509 0.030 1 370 36 36 ASP HA H 4.457 0.030 1 371 36 36 ASP HB2 H 2.819 0.030 2 372 36 36 ASP HB3 H 2.710 0.030 2 373 36 36 ASP C C 175.002 0.300 1 374 36 36 ASP CA C 54.752 0.300 1 375 36 36 ASP CB C 39.934 0.300 1 376 36 36 ASP N N 114.361 0.300 1 377 37 37 ILE H H 7.347 0.030 1 378 37 37 ILE HA H 4.725 0.030 1 379 37 37 ILE HB H 1.972 0.030 1 380 37 37 ILE HD1 H 0.844 0.030 1 381 37 37 ILE HG12 H 1.498 0.030 2 382 37 37 ILE HG13 H 1.282 0.030 2 383 37 37 ILE HG2 H 1.041 0.030 1 384 37 37 ILE C C 173.424 0.300 1 385 37 37 ILE CA C 56.843 0.300 1 386 37 37 ILE CB C 39.282 0.300 1 387 37 37 ILE CD1 C 11.854 0.300 1 388 37 37 ILE CG1 C 26.777 0.300 1 389 37 37 ILE CG2 C 16.601 0.300 1 390 37 37 ILE N N 120.928 0.300 1 391 38 38 PRO HA H 4.557 0.030 1 392 38 38 PRO HB2 H 2.375 0.030 2 393 38 38 PRO HB3 H 1.908 0.030 2 394 38 38 PRO HD2 H 3.870 0.030 2 395 38 38 PRO HD3 H 3.766 0.030 2 396 38 38 PRO HG2 H 2.020 0.030 1 397 38 38 PRO HG3 H 2.020 0.030 1 398 38 38 PRO C C 177.138 0.300 1 399 38 38 PRO CA C 62.078 0.300 1 400 38 38 PRO CB C 32.298 0.300 1 401 38 38 PRO CD C 50.952 0.300 1 402 38 38 PRO CG C 27.367 0.300 1 403 39 39 LEU H H 9.156 0.030 1 404 39 39 LEU HA H 4.021 0.030 1 405 39 39 LEU HB2 H 1.983 0.030 2 406 39 39 LEU HB3 H 1.533 0.030 2 407 39 39 LEU HD1 H 0.982 0.030 1 408 39 39 LEU HD2 H 0.873 0.030 1 409 39 39 LEU HG H 1.559 0.030 1 410 39 39 LEU C C 177.384 0.300 1 411 39 39 LEU CA C 57.648 0.300 1 412 39 39 LEU CB C 41.935 0.300 1 413 39 39 LEU CD1 C 26.331 0.300 2 414 39 39 LEU CD2 C 23.362 0.300 2 415 39 39 LEU CG C 27.192 0.300 1 416 39 39 LEU N N 122.397 0.300 1 417 40 40 GLY H H 8.669 0.030 1 418 40 40 GLY HA2 H 3.947 0.030 2 419 40 40 GLY HA3 H 3.842 0.030 2 420 40 40 GLY C C 174.633 0.300 1 421 40 40 GLY CA C 46.791 0.300 1 422 40 40 GLY N N 103.112 0.300 1 423 41 41 ALA H H 7.694 0.030 1 424 41 41 ALA HA H 5.293 0.030 1 425 41 41 ALA HB H 0.993 0.030 1 426 41 41 ALA C C 175.087 0.300 1 427 41 41 ALA CA C 50.750 0.300 1 428 41 41 ALA CB C 20.420 0.300 1 429 41 41 ALA N N 121.981 0.300 1 430 42 42 THR H H 8.773 0.030 1 431 42 42 THR HA H 4.671 0.030 1 432 42 42 THR HB H 4.205 0.030 1 433 42 42 THR HG2 H 1.198 0.030 1 434 42 42 THR C C 174.505 0.300 1 435 42 42 THR CA C 60.845 0.300 1 436 42 42 THR CB C 70.221 0.300 1 437 42 42 THR CG2 C 22.043 0.300 1 438 42 42 THR N N 116.064 0.300 1 439 43 43 VAL H H 7.940 0.030 1 440 43 43 VAL HA H 5.434 0.030 1 441 43 43 VAL HB H 1.951 0.030 1 442 43 43 VAL HG1 H 0.587 0.030 1 443 43 43 VAL HG2 H 0.594 0.030 1 444 43 43 VAL C C 173.980 0.300 1 445 43 43 VAL CA C 58.524 0.300 1 446 43 43 VAL CB C 35.397 0.300 1 447 43 43 VAL CG1 C 21.199 0.300 2 448 43 43 VAL CG2 C 17.946 0.300 2 449 43 43 VAL N N 114.213 0.300 1 450 44 44 ARG H H 9.164 0.030 1 451 44 44 ARG HA H 4.814 0.030 1 452 44 44 ARG HB2 H 1.881 0.030 2 453 44 44 ARG HB3 H 1.659 0.030 2 454 44 44 ARG HD2 H 3.168 0.030 2 455 44 44 ARG HD3 H 3.058 0.030 2 456 44 44 ARG HE H 7.690 0.030 1 457 44 44 ARG HG2 H 1.436 0.030 2 458 44 44 ARG HG3 H 1.209 0.030 2 459 44 44 ARG C C 173.811 0.300 1 460 44 44 ARG CA C 54.058 0.300 1 461 44 44 ARG CB C 33.633 0.300 1 462 44 44 ARG CD C 43.233 0.300 1 463 44 44 ARG CG C 27.037 0.300 1 464 44 44 ARG N N 117.509 0.300 1 465 44 44 ARG NE N 118.000 0.300 1 466 45 45 ASN H H 8.913 0.030 1 467 45 45 ASN HA H 5.713 0.030 1 468 45 45 ASN HB2 H 2.960 0.030 2 469 45 45 ASN HB3 H 2.521 0.030 2 470 45 45 ASN HD21 H 6.935 0.030 2 471 45 45 ASN HD22 H 7.302 0.030 2 472 45 45 ASN C C 175.532 0.300 1 473 45 45 ASN CA C 53.359 0.300 1 474 45 45 ASN CB C 41.478 0.300 1 475 45 45 ASN N N 118.767 0.300 1 476 45 45 ASN ND2 N 109.530 0.300 1 477 46 46 GLU H H 8.407 0.030 1 478 46 46 GLU HA H 4.454 0.030 1 479 46 46 GLU HB2 H 1.869 0.030 2 480 46 46 GLU HB3 H 1.672 0.030 2 481 46 46 GLU HG2 H 2.179 0.030 2 482 46 46 GLU HG3 H 2.078 0.030 2 483 46 46 GLU C C 175.618 0.300 1 484 46 46 GLU CA C 55.740 0.300 1 485 46 46 GLU CB C 30.820 0.300 1 486 46 46 GLU CG C 35.818 0.300 1 487 46 46 GLU N N 123.935 0.300 1 488 47 47 MET H H 9.222 0.030 1 489 47 47 MET HA H 3.919 0.030 1 490 47 47 MET HB2 H 2.453 0.030 2 491 47 47 MET HB3 H 2.191 0.030 2 492 47 47 MET HE H 2.108 0.030 1 493 47 47 MET HG2 H 2.697 0.030 2 494 47 47 MET HG3 H 2.569 0.030 2 495 47 47 MET C C 175.565 0.300 1 496 47 47 MET CA C 57.636 0.300 1 497 47 47 MET CB C 29.369 0.300 1 498 47 47 MET CE C 16.856 0.300 1 499 47 47 MET CG C 32.527 0.300 1 500 47 47 MET N N 124.204 0.300 1 501 48 48 ASP H H 8.541 0.030 1 502 48 48 ASP HA H 4.610 0.030 1 503 48 48 ASP HB2 H 2.744 0.030 1 504 48 48 ASP HB3 H 2.744 0.030 1 505 48 48 ASP C C 175.818 0.300 1 506 48 48 ASP CA C 55.500 0.300 1 507 48 48 ASP CB C 40.527 0.300 1 508 48 48 ASP N N 120.098 0.300 1 509 49 49 SER H H 8.077 0.030 1 510 49 49 SER HA H 4.630 0.030 1 511 49 49 SER HB2 H 3.911 0.030 2 512 49 49 SER HB3 H 3.602 0.030 2 513 49 49 SER C C 173.437 0.300 1 514 49 49 SER CA C 59.776 0.300 1 515 49 49 SER CB C 64.965 0.300 1 516 49 49 SER N N 115.676 0.300 1 517 50 50 VAL H H 9.875 0.030 1 518 50 50 VAL HA H 4.372 0.030 1 519 50 50 VAL HB H 2.115 0.030 1 520 50 50 VAL HG1 H 0.860 0.030 1 521 50 50 VAL HG2 H 0.684 0.030 1 522 50 50 VAL C C 173.903 0.300 1 523 50 50 VAL CA C 62.674 0.300 1 524 50 50 VAL CB C 32.157 0.300 1 525 50 50 VAL CG1 C 21.767 0.300 2 526 50 50 VAL CG2 C 21.230 0.300 2 527 50 50 VAL N N 127.547 0.300 1 528 51 51 ILE H H 8.861 0.030 1 529 51 51 ILE HA H 4.990 0.030 1 530 51 51 ILE HB H 1.540 0.030 1 531 51 51 ILE HD1 H 0.685 0.030 1 532 51 51 ILE HG12 H 1.240 0.030 2 533 51 51 ILE HG13 H 1.087 0.030 2 534 51 51 ILE HG2 H 0.731 0.030 1 535 51 51 ILE C C 176.710 0.300 1 536 51 51 ILE CA C 57.442 0.300 1 537 51 51 ILE CB C 41.201 0.300 1 538 51 51 ILE CD1 C 11.692 0.300 1 539 51 51 ILE CG1 C 27.250 0.300 1 540 51 51 ILE CG2 C 17.303 0.300 1 541 51 51 ILE N N 126.083 0.300 1 542 52 52 ILE H H 8.861 0.030 1 543 52 52 ILE HA H 4.164 0.030 1 544 52 52 ILE HB H 2.235 0.030 1 545 52 52 ILE HD1 H 0.546 0.030 1 546 52 52 ILE HG12 H 1.491 0.030 2 547 52 52 ILE HG13 H 1.070 0.030 2 548 52 52 ILE HG2 H 0.617 0.030 1 549 52 52 ILE C C 175.681 0.300 1 550 52 52 ILE CA C 61.610 0.300 1 551 52 52 ILE CB C 35.781 0.300 1 552 52 52 ILE CD1 C 11.559 0.300 1 553 52 52 ILE CG1 C 27.097 0.300 1 554 52 52 ILE CG2 C 17.507 0.300 1 555 52 52 ILE N N 123.621 0.300 1 556 53 53 SER H H 9.371 0.030 1 557 53 53 SER HA H 4.559 0.030 1 558 53 53 SER HB2 H 3.735 0.030 2 559 53 53 SER HB3 H 3.538 0.030 2 560 53 53 SER C C 174.109 0.300 1 561 53 53 SER CA C 58.021 0.300 1 562 53 53 SER CB C 64.484 0.300 1 563 53 53 SER N N 126.633 0.300 1 564 54 54 ARG H H 7.329 0.030 1 565 54 54 ARG HA H 4.563 0.030 1 566 54 54 ARG HB2 H 1.733 0.030 2 567 54 54 ARG HB3 H 1.678 0.030 2 568 54 54 ARG HD2 H 3.160 0.030 1 569 54 54 ARG HD3 H 3.160 0.030 1 570 54 54 ARG HG2 H 1.519 0.030 2 571 54 54 ARG HG3 H 1.357 0.030 2 572 54 54 ARG C C 174.103 0.300 1 573 54 54 ARG CA C 55.650 0.300 1 574 54 54 ARG CB C 33.425 0.300 1 575 54 54 ARG CD C 43.255 0.300 1 576 54 54 ARG CG C 27.144 0.300 1 577 54 54 ARG N N 119.148 0.300 1 578 55 55 ILE H H 8.967 0.030 1 579 55 55 ILE HA H 4.500 0.030 1 580 55 55 ILE HB H 1.995 0.030 1 581 55 55 ILE HD1 H 0.430 0.030 1 582 55 55 ILE HG12 H 1.366 0.030 2 583 55 55 ILE HG13 H 1.162 0.030 2 584 55 55 ILE HG2 H 0.756 0.030 1 585 55 55 ILE C C 175.831 0.300 1 586 55 55 ILE CA C 58.305 0.300 1 587 55 55 ILE CB C 36.510 0.300 1 588 55 55 ILE CD1 C 11.378 0.300 1 589 55 55 ILE CG1 C 26.209 0.300 1 590 55 55 ILE CG2 C 17.112 0.300 1 591 55 55 ILE N N 125.736 0.300 1 592 56 56 VAL H H 8.173 0.030 1 593 56 56 VAL HA H 3.848 0.030 1 594 56 56 VAL HB H 1.781 0.030 1 595 56 56 VAL HG1 H 0.937 0.030 1 596 56 56 VAL HG2 H 0.797 0.030 1 597 56 56 VAL C C 176.510 0.300 1 598 56 56 VAL CA C 62.584 0.300 1 599 56 56 VAL CB C 32.748 0.300 1 600 56 56 VAL CG1 C 20.688 0.300 2 601 56 56 VAL CG2 C 20.696 0.300 2 602 56 56 VAL N N 128.012 0.300 1 603 57 57 LYS H H 8.826 0.030 1 604 57 57 LYS HA H 4.082 0.030 1 605 57 57 LYS HB2 H 1.817 0.030 2 606 57 57 LYS HB3 H 1.761 0.030 2 607 57 57 LYS HD2 H 1.706 0.030 1 608 57 57 LYS HD3 H 1.706 0.030 1 609 57 57 LYS HE2 H 3.018 0.030 1 610 57 57 LYS HE3 H 3.018 0.030 1 611 57 57 LYS HG2 H 1.545 0.030 2 612 57 57 LYS HG3 H 1.418 0.030 2 613 57 57 LYS C C 177.901 0.300 1 614 57 57 LYS CA C 58.177 0.300 1 615 57 57 LYS CB C 31.893 0.300 1 616 57 57 LYS CD C 28.986 0.300 1 617 57 57 LYS CE C 42.111 0.300 1 618 57 57 LYS CG C 24.681 0.300 1 619 57 57 LYS N N 130.338 0.300 1 620 58 58 GLY H H 9.553 0.030 1 621 58 58 GLY HA2 H 4.245 0.030 2 622 58 58 GLY HA3 H 3.674 0.030 2 623 58 58 GLY C C 174.815 0.300 1 624 58 58 GLY CA C 45.329 0.300 1 625 58 58 GLY N N 114.807 0.300 1 626 59 59 GLY H H 7.453 0.030 1 627 59 59 GLY HA2 H 4.390 0.030 2 628 59 59 GLY HA3 H 3.856 0.030 2 629 59 59 GLY C C 173.689 0.300 1 630 59 59 GLY CA C 44.580 0.300 1 631 59 59 GLY N N 105.792 0.300 1 632 60 60 ALA H H 8.771 0.030 1 633 60 60 ALA HA H 4.078 0.030 1 634 60 60 ALA HB H 1.501 0.030 1 635 60 60 ALA C C 181.098 0.300 1 636 60 60 ALA CA C 54.904 0.300 1 637 60 60 ALA CB C 18.628 0.300 1 638 60 60 ALA N N 120.061 0.300 1 639 61 61 ALA H H 8.962 0.030 1 640 61 61 ALA HA H 3.838 0.030 1 641 61 61 ALA HB H 1.219 0.030 1 642 61 61 ALA C C 180.658 0.300 1 643 61 61 ALA CA C 55.456 0.300 1 644 61 61 ALA CB C 18.301 0.300 1 645 61 61 ALA N N 119.885 0.300 1 646 62 62 GLU H H 9.515 0.030 1 647 62 62 GLU HA H 3.750 0.030 1 648 62 62 GLU HB2 H 2.259 0.030 2 649 62 62 GLU HB3 H 2.005 0.030 2 650 62 62 GLU HG2 H 2.262 0.030 2 651 62 62 GLU HG3 H 2.125 0.030 2 652 62 62 GLU C C 178.575 0.300 1 653 62 62 GLU CA C 60.086 0.300 1 654 62 62 GLU CB C 29.155 0.300 1 655 62 62 GLU CG C 36.479 0.300 1 656 62 62 GLU N N 124.836 0.300 1 657 63 63 LYS H H 8.158 0.030 1 658 63 63 LYS HA H 3.922 0.030 1 659 63 63 LYS HB2 H 1.844 0.030 1 660 63 63 LYS HB3 H 1.844 0.030 1 661 63 63 LYS HD2 H 1.625 0.030 1 662 63 63 LYS HD3 H 1.625 0.030 1 663 63 63 LYS HE2 H 2.954 0.030 1 664 63 63 LYS HE3 H 2.954 0.030 1 665 63 63 LYS HG2 H 1.546 0.030 2 666 63 63 LYS HG3 H 1.458 0.030 2 667 63 63 LYS C C 178.620 0.300 1 668 63 63 LYS CA C 58.969 0.300 1 669 63 63 LYS CB C 32.328 0.300 1 670 63 63 LYS CD C 29.055 0.300 1 671 63 63 LYS CE C 42.038 0.300 1 672 63 63 LYS CG C 25.237 0.300 1 673 63 63 LYS N N 118.053 0.300 1 674 64 64 SER H H 7.746 0.030 1 675 64 64 SER HA H 4.220 0.030 1 676 64 64 SER HB2 H 4.111 0.030 2 677 64 64 SER HB3 H 3.969 0.030 2 678 64 64 SER C C 175.727 0.300 1 679 64 64 SER CA C 60.600 0.300 1 680 64 64 SER CB C 64.431 0.300 1 681 64 64 SER N N 111.494 0.300 1 682 65 65 GLY H H 7.373 0.030 1 683 65 65 GLY HA2 H 4.106 0.030 2 684 65 65 GLY HA3 H 3.979 0.030 2 685 65 65 GLY C C 174.976 0.300 1 686 65 65 GLY CA C 46.544 0.300 1 687 65 65 GLY N N 108.608 0.300 1 688 66 66 LEU H H 7.742 0.030 1 689 66 66 LEU HA H 4.412 0.030 1 690 66 66 LEU HB2 H 1.500 0.030 2 691 66 66 LEU HB3 H 1.272 0.030 2 692 66 66 LEU HD1 H 1.616 0.030 1 693 66 66 LEU HD2 H 0.876 0.030 1 694 66 66 LEU HG H 0.982 0.030 1 695 66 66 LEU C C 175.624 0.300 1 696 66 66 LEU CA C 55.168 0.300 1 697 66 66 LEU CB C 44.254 0.300 1 698 66 66 LEU CD1 C 26.074 0.300 2 699 66 66 LEU CD2 C 22.341 0.300 2 700 66 66 LEU CG C 26.555 0.300 1 701 66 66 LEU N N 116.773 0.300 1 702 67 67 LEU H H 6.885 0.030 1 703 67 67 LEU HA H 4.345 0.030 1 704 67 67 LEU HB2 H 1.019 0.030 2 705 67 67 LEU HB3 H 0.917 0.030 2 706 67 67 LEU HD1 H 0.201 0.030 1 707 67 67 LEU HD2 H 0.166 0.030 1 708 67 67 LEU HG H 1.076 0.030 1 709 67 67 LEU C C 174.264 0.300 1 710 67 67 LEU CA C 53.170 0.300 1 711 67 67 LEU CB C 45.811 0.300 1 712 67 67 LEU CD1 C 24.775 0.300 2 713 67 67 LEU CD2 C 23.819 0.300 2 714 67 67 LEU CG C 26.563 0.300 1 715 67 67 LEU N N 117.253 0.300 1 716 68 68 HIS H H 8.876 0.030 1 717 68 68 HIS HA H 4.712 0.030 1 718 68 68 HIS HB2 H 3.191 0.030 2 719 68 68 HIS HB3 H 2.980 0.030 2 720 68 68 HIS HD2 H 7.304 0.030 1 721 68 68 HIS HE1 H 8.364 0.030 1 722 68 68 HIS C C 173.411 0.300 1 723 68 68 HIS CA C 54.576 0.300 1 724 68 68 HIS CB C 31.651 0.300 1 725 68 68 HIS CD2 C 120.234 0.300 1 726 68 68 HIS CE1 C 135.471 0.300 1 727 68 68 HIS N N 119.744 0.300 1 728 69 69 GLU H H 9.023 0.030 1 729 69 69 GLU HA H 3.580 0.030 1 730 69 69 GLU HB2 H 1.864 0.030 1 731 69 69 GLU HB3 H 1.864 0.030 1 732 69 69 GLU HG2 H 2.266 0.030 2 733 69 69 GLU HG3 H 2.091 0.030 2 734 69 69 GLU C C 177.079 0.300 1 735 69 69 GLU CA C 58.495 0.300 1 736 69 69 GLU CB C 28.711 0.300 1 737 69 69 GLU CG C 37.018 0.300 1 738 69 69 GLU N N 121.746 0.300 1 739 70 70 GLY H H 9.239 0.030 1 740 70 70 GLY HA2 H 4.495 0.030 2 741 70 70 GLY HA3 H 3.423 0.030 2 742 70 70 GLY C C 174.569 0.300 1 743 70 70 GLY CA C 44.824 0.300 1 744 70 70 GLY N N 112.562 0.300 1 745 71 71 ASP H H 8.051 0.030 1 746 71 71 ASP HA H 4.553 0.030 1 747 71 71 ASP HB2 H 2.800 0.030 2 748 71 71 ASP HB3 H 2.285 0.030 2 749 71 71 ASP C C 174.673 0.300 1 750 71 71 ASP CA C 55.778 0.300 1 751 71 71 ASP CB C 41.397 0.300 1 752 71 71 ASP N N 123.283 0.300 1 753 72 72 GLU H H 8.639 0.030 1 754 72 72 GLU HA H 5.035 0.030 1 755 72 72 GLU HB2 H 2.015 0.030 2 756 72 72 GLU HB3 H 1.870 0.030 2 757 72 72 GLU HG2 H 2.510 0.030 2 758 72 72 GLU HG3 H 1.900 0.030 2 759 72 72 GLU C C 175.824 0.300 1 760 72 72 GLU CA C 54.388 0.300 1 761 72 72 GLU CB C 30.621 0.300 1 762 72 72 GLU CG C 35.916 0.300 1 763 72 72 GLU N N 122.845 0.300 1 764 73 73 VAL H H 8.952 0.030 1 765 73 73 VAL HA H 4.124 0.030 1 766 73 73 VAL HB H 1.929 0.030 1 767 73 73 VAL HG1 H 0.866 0.030 1 768 73 73 VAL HG2 H 0.822 0.030 1 769 73 73 VAL C C 174.543 0.300 1 770 73 73 VAL CA C 62.260 0.300 1 771 73 73 VAL CB C 32.350 0.300 1 772 73 73 VAL CG1 C 22.945 0.300 2 773 73 73 VAL CG2 C 20.659 0.300 2 774 73 73 VAL N N 126.611 0.300 1 775 74 74 LEU H H 9.141 0.030 1 776 74 74 LEU HA H 4.538 0.030 1 777 74 74 LEU HB2 H 1.329 0.030 1 778 74 74 LEU HB3 H 1.329 0.030 1 779 74 74 LEU HD1 H 0.528 0.030 1 780 74 74 LEU HD2 H 0.669 0.030 1 781 74 74 LEU HG H 1.433 0.030 1 782 74 74 LEU C C 178.561 0.300 1 783 74 74 LEU CA C 56.020 0.300 1 784 74 74 LEU CB C 43.192 0.300 1 785 74 74 LEU CD1 C 25.098 0.300 2 786 74 74 LEU CD2 C 22.876 0.300 2 787 74 74 LEU CG C 27.319 0.300 1 788 74 74 LEU N N 125.804 0.300 1 789 75 75 GLU H H 7.668 0.030 1 790 75 75 GLU HA H 5.263 0.030 1 791 75 75 GLU HB2 H 1.856 0.030 2 792 75 75 GLU HB3 H 1.715 0.030 2 793 75 75 GLU HG2 H 1.958 0.030 1 794 75 75 GLU HG3 H 1.958 0.030 1 795 75 75 GLU C C 174.575 0.300 1 796 75 75 GLU CA C 55.040 0.300 1 797 75 75 GLU CB C 34.910 0.300 1 798 75 75 GLU CG C 36.415 0.300 1 799 75 75 GLU N N 117.996 0.300 1 800 76 76 ILE H H 8.120 0.030 1 801 76 76 ILE HA H 4.597 0.030 1 802 76 76 ILE HB H 1.188 0.030 1 803 76 76 ILE HD1 H 0.451 0.030 1 804 76 76 ILE HG12 H 1.093 0.030 2 805 76 76 ILE HG13 H 0.231 0.030 2 806 76 76 ILE HG2 H 0.224 0.030 1 807 76 76 ILE C C 175.177 0.300 1 808 76 76 ILE CA C 59.977 0.300 1 809 76 76 ILE CB C 41.613 0.300 1 810 76 76 ILE CD1 C 14.315 0.300 1 811 76 76 ILE CG1 C 26.873 0.300 1 812 76 76 ILE CG2 C 17.158 0.300 1 813 76 76 ILE N N 120.739 0.300 1 814 77 77 ASN H H 9.286 0.030 1 815 77 77 ASN HA H 4.295 0.030 1 816 77 77 ASN HB2 H 3.197 0.030 2 817 77 77 ASN HB3 H 2.673 0.030 2 818 77 77 ASN HD21 H 6.538 0.030 2 819 77 77 ASN HD22 H 7.481 0.030 2 820 77 77 ASN C C 174.925 0.300 1 821 77 77 ASN CA C 53.837 0.300 1 822 77 77 ASN CB C 36.225 0.300 1 823 77 77 ASN N N 126.334 0.300 1 824 77 77 ASN ND2 N 108.906 0.300 1 825 78 78 GLY H H 8.615 0.030 1 826 78 78 GLY HA2 H 4.008 0.030 2 827 78 78 GLY HA3 H 3.654 0.030 2 828 78 78 GLY C C 173.553 0.300 1 829 78 78 GLY CA C 45.550 0.300 1 830 78 78 GLY N N 102.703 0.300 1 831 79 79 ILE H H 8.137 0.030 1 832 79 79 ILE HA H 4.036 0.030 1 833 79 79 ILE HB H 2.059 0.030 1 834 79 79 ILE HD1 H 0.797 0.030 1 835 79 79 ILE HG12 H 1.478 0.030 2 836 79 79 ILE HG13 H 1.055 0.030 2 837 79 79 ILE HG2 H 0.770 0.030 1 838 79 79 ILE C C 175.637 0.300 1 839 79 79 ILE CA C 60.076 0.300 1 840 79 79 ILE CB C 38.115 0.300 1 841 79 79 ILE CD1 C 12.865 0.300 1 842 79 79 ILE CG1 C 27.085 0.300 1 843 79 79 ILE CG2 C 17.044 0.300 1 844 79 79 ILE N N 123.198 0.300 1 845 80 80 GLU H H 8.684 0.030 1 846 80 80 GLU HA H 4.277 0.030 1 847 80 80 GLU HB2 H 2.183 0.030 2 848 80 80 GLU HB3 H 2.045 0.030 2 849 80 80 GLU HG2 H 2.414 0.030 1 850 80 80 GLU HG3 H 2.414 0.030 1 851 80 80 GLU C C 176.264 0.300 1 852 80 80 GLU CA C 57.736 0.300 1 853 80 80 GLU CB C 30.065 0.300 1 854 80 80 GLU CG C 36.719 0.300 1 855 80 80 GLU N N 127.929 0.300 1 856 81 81 ILE H H 8.177 0.030 1 857 81 81 ILE HA H 4.102 0.030 1 858 81 81 ILE HB H 1.765 0.030 1 859 81 81 ILE HD1 H 0.550 0.030 1 860 81 81 ILE HG12 H 1.443 0.030 2 861 81 81 ILE HG13 H 1.044 0.030 2 862 81 81 ILE HG2 H 0.776 0.030 1 863 81 81 ILE C C 174.886 0.300 1 864 81 81 ILE CA C 59.328 0.300 1 865 81 81 ILE CB C 37.672 0.300 1 866 81 81 ILE CD1 C 10.795 0.300 1 867 81 81 ILE CG1 C 26.851 0.300 1 868 81 81 ILE CG2 C 18.466 0.300 1 869 81 81 ILE N N 123.673 0.300 1 870 82 82 ARG H H 7.488 0.030 1 871 82 82 ARG HA H 4.342 0.030 1 872 82 82 ARG HB2 H 1.933 0.030 2 873 82 82 ARG HB3 H 1.830 0.030 2 874 82 82 ARG HD2 H 3.163 0.030 1 875 82 82 ARG HD3 H 3.163 0.030 1 876 82 82 ARG HE H 7.252 0.030 1 877 82 82 ARG HG2 H 1.816 0.030 2 878 82 82 ARG HG3 H 1.683 0.030 2 879 82 82 ARG C C 177.953 0.300 1 880 82 82 ARG CA C 58.866 0.300 1 881 82 82 ARG CB C 30.583 0.300 1 882 82 82 ARG CD C 43.913 0.300 1 883 82 82 ARG CG C 27.509 0.300 1 884 82 82 ARG N N 120.488 0.300 1 885 82 82 ARG NE N 117.679 0.300 1 886 83 83 GLY H H 8.961 0.030 1 887 83 83 GLY HA2 H 4.277 0.030 2 888 83 83 GLY HA3 H 3.629 0.030 2 889 83 83 GLY C C 174.666 0.300 1 890 83 83 GLY CA C 45.289 0.300 1 891 83 83 GLY N N 114.013 0.300 1 892 84 84 LYS H H 8.035 0.030 1 893 84 84 LYS HA H 4.402 0.030 1 894 84 84 LYS HB2 H 1.875 0.030 2 895 84 84 LYS HB3 H 1.610 0.030 2 896 84 84 LYS HD2 H 1.522 0.030 2 897 84 84 LYS HD3 H 1.471 0.030 2 898 84 84 LYS HE2 H 3.020 0.030 2 899 84 84 LYS HE3 H 2.903 0.030 2 900 84 84 LYS HG2 H 1.344 0.030 1 901 84 84 LYS HG3 H 1.344 0.030 1 902 84 84 LYS C C 175.721 0.300 1 903 84 84 LYS CA C 55.901 0.300 1 904 84 84 LYS CB C 34.135 0.300 1 905 84 84 LYS CD C 29.293 0.300 1 906 84 84 LYS CE C 42.247 0.300 1 907 84 84 LYS CG C 26.070 0.300 1 908 84 84 LYS N N 120.496 0.300 1 909 85 85 ASP H H 8.723 0.030 1 910 85 85 ASP HA H 4.801 0.030 1 911 85 85 ASP HB2 H 2.854 0.030 2 912 85 85 ASP HB3 H 2.710 0.030 2 913 85 85 ASP C C 178.296 0.300 1 914 85 85 ASP CA C 53.216 0.300 1 915 85 85 ASP CB C 42.952 0.300 1 916 85 85 ASP N N 121.156 0.300 1 917 86 86 VAL H H 8.253 0.030 1 918 86 86 VAL HA H 3.515 0.030 1 919 86 86 VAL HB H 2.020 0.030 1 920 86 86 VAL HG1 H 0.876 0.030 1 921 86 86 VAL HG2 H 0.968 0.030 1 922 86 86 VAL C C 176.957 0.300 1 923 86 86 VAL CA C 66.072 0.300 1 924 86 86 VAL CB C 31.438 0.300 1 925 86 86 VAL CG1 C 22.178 0.300 2 926 86 86 VAL CG2 C 20.099 0.300 2 927 86 86 VAL N N 119.647 0.300 1 928 87 87 ASN H H 8.683 0.030 1 929 87 87 ASN HA H 4.529 0.030 1 930 87 87 ASN HB2 H 2.897 0.030 2 931 87 87 ASN HB3 H 2.837 0.030 2 932 87 87 ASN HD21 H 6.981 0.030 2 933 87 87 ASN HD22 H 7.942 0.030 2 934 87 87 ASN C C 177.707 0.300 1 935 87 87 ASN CA C 56.850 0.300 1 936 87 87 ASN CB C 37.841 0.300 1 937 87 87 ASN N N 119.774 0.300 1 938 87 87 ASN ND2 N 114.561 0.300 1 939 88 88 GLU H H 7.793 0.030 1 940 88 88 GLU HA H 4.223 0.030 1 941 88 88 GLU HB2 H 2.320 0.030 2 942 88 88 GLU HB3 H 2.096 0.030 2 943 88 88 GLU HG2 H 2.482 0.030 2 944 88 88 GLU HG3 H 2.241 0.030 2 945 88 88 GLU C C 179.481 0.300 1 946 88 88 GLU CA C 58.993 0.300 1 947 88 88 GLU CB C 29.943 0.300 1 948 88 88 GLU CG C 36.831 0.300 1 949 88 88 GLU N N 120.087 0.300 1 950 89 89 VAL H H 7.863 0.030 1 951 89 89 VAL HA H 3.453 0.030 1 952 89 89 VAL HB H 2.070 0.030 1 953 89 89 VAL HG1 H 0.940 0.030 1 954 89 89 VAL HG2 H 0.772 0.030 1 955 89 89 VAL C C 177.048 0.300 1 956 89 89 VAL CA C 66.816 0.300 1 957 89 89 VAL CB C 31.254 0.300 1 958 89 89 VAL CG1 C 23.907 0.300 2 959 89 89 VAL CG2 C 21.279 0.300 2 960 89 89 VAL N N 119.405 0.300 1 961 90 90 PHE H H 8.441 0.030 1 962 90 90 PHE HA H 4.178 0.030 1 963 90 90 PHE HB2 H 3.297 0.030 2 964 90 90 PHE HB3 H 3.233 0.030 2 965 90 90 PHE HD1 H 7.362 0.030 1 966 90 90 PHE HD2 H 7.362 0.030 1 967 90 90 PHE HE1 H 7.400 0.030 1 968 90 90 PHE HE2 H 7.400 0.030 1 969 90 90 PHE HZ H 7.338 0.030 1 970 90 90 PHE C C 178.923 0.300 1 971 90 90 PHE CA C 61.857 0.300 1 972 90 90 PHE CB C 38.496 0.300 1 973 90 90 PHE CD1 C 131.520 0.300 1 974 90 90 PHE CD2 C 131.520 0.300 1 975 90 90 PHE CE1 C 131.313 0.300 1 976 90 90 PHE CE2 C 131.313 0.300 1 977 90 90 PHE CZ C 129.366 0.300 1 978 90 90 PHE N N 119.159 0.300 1 979 91 91 ASP H H 7.987 0.030 1 980 91 91 ASP HA H 4.404 0.030 1 981 91 91 ASP HB2 H 2.830 0.030 2 982 91 91 ASP HB3 H 2.731 0.030 2 983 91 91 ASP C C 178.898 0.300 1 984 91 91 ASP CA C 57.681 0.300 1 985 91 91 ASP CB C 40.229 0.300 1 986 91 91 ASP N N 120.256 0.300 1 987 92 92 LEU H H 7.977 0.030 1 988 92 92 LEU HA H 4.128 0.030 1 989 92 92 LEU HB2 H 1.895 0.030 2 990 92 92 LEU HB3 H 1.570 0.030 2 991 92 92 LEU HD1 H 0.814 0.030 1 992 92 92 LEU HD2 H 0.829 0.030 1 993 92 92 LEU HG H 1.836 0.030 1 994 92 92 LEU C C 179.234 0.300 1 995 92 92 LEU CA C 58.046 0.300 1 996 92 92 LEU CB C 42.099 0.300 1 997 92 92 LEU CD1 C 25.164 0.300 2 998 92 92 LEU CD2 C 24.403 0.300 2 999 92 92 LEU CG C 26.520 0.300 1 1000 92 92 LEU N N 121.583 0.300 1 1001 93 93 LEU H H 8.143 0.030 1 1002 93 93 LEU HA H 4.062 0.030 1 1003 93 93 LEU HB2 H 1.864 0.030 2 1004 93 93 LEU HB3 H 1.468 0.030 2 1005 93 93 LEU HD1 H 0.767 0.030 1 1006 93 93 LEU HD2 H 0.824 0.030 1 1007 93 93 LEU HG H 1.750 0.030 1 1008 93 93 LEU C C 179.319 0.300 1 1009 93 93 LEU CA C 56.973 0.300 1 1010 93 93 LEU CB C 42.483 0.300 1 1011 93 93 LEU CD1 C 25.375 0.300 2 1012 93 93 LEU CD2 C 23.737 0.300 2 1013 93 93 LEU CG C 27.025 0.300 1 1014 93 93 LEU N N 117.013 0.300 1 1015 94 94 SER H H 7.756 0.030 1 1016 94 94 SER HA H 4.146 0.030 1 1017 94 94 SER HB2 H 3.951 0.030 2 1018 94 94 SER HB3 H 3.908 0.030 2 1019 94 94 SER C C 175.009 0.300 1 1020 94 94 SER CA C 61.303 0.300 1 1021 94 94 SER CB C 63.292 0.300 1 1022 94 94 SER N N 113.570 0.300 1 1023 95 95 ASP H H 7.485 0.030 1 1024 95 95 ASP HA H 4.877 0.030 1 1025 95 95 ASP HB2 H 2.794 0.030 2 1026 95 95 ASP HB3 H 2.603 0.030 2 1027 95 95 ASP C C 175.889 0.300 1 1028 95 95 ASP CA C 54.150 0.300 1 1029 95 95 ASP CB C 42.224 0.300 1 1030 95 95 ASP N N 119.168 0.300 1 1031 96 96 MET H H 7.407 0.030 1 1032 96 96 MET HA H 4.396 0.030 1 1033 96 96 MET HB2 H 1.931 0.030 2 1034 96 96 MET HB3 H 1.797 0.030 2 1035 96 96 MET HE H 1.890 0.030 1 1036 96 96 MET HG2 H 2.769 0.030 2 1037 96 96 MET HG3 H 2.424 0.030 2 1038 96 96 MET C C 174.822 0.300 1 1039 96 96 MET CA C 56.407 0.300 1 1040 96 96 MET CB C 33.976 0.300 1 1041 96 96 MET CE C 17.669 0.300 1 1042 96 96 MET CG C 32.858 0.300 1 1043 96 96 MET N N 119.266 0.300 1 1044 97 97 HIS H H 8.266 0.030 1 1045 97 97 HIS HA H 4.760 0.030 1 1046 97 97 HIS HB2 H 3.171 0.030 2 1047 97 97 HIS HB3 H 3.059 0.030 2 1048 97 97 HIS HD2 H 7.146 0.030 1 1049 97 97 HIS C C 173.707 0.300 1 1050 97 97 HIS CA C 54.779 0.300 1 1051 97 97 HIS CB C 31.904 0.300 1 1052 97 97 HIS CD2 C 120.574 0.300 1 1053 97 97 HIS N N 117.541 0.300 1 1054 98 98 GLY H H 8.807 0.030 1 1055 98 98 GLY HA2 H 4.241 0.030 2 1056 98 98 GLY HA3 H 3.714 0.030 2 1057 98 98 GLY C C 173.281 0.300 1 1058 98 98 GLY CA C 44.836 0.300 1 1059 98 98 GLY N N 110.467 0.300 1 1060 99 99 THR H H 8.502 0.030 1 1061 99 99 THR HA H 4.400 0.030 1 1062 99 99 THR HB H 3.890 0.030 1 1063 99 99 THR HG2 H 1.027 0.030 1 1064 99 99 THR C C 174.373 0.300 1 1065 99 99 THR CA C 63.416 0.300 1 1066 99 99 THR CB C 68.933 0.300 1 1067 99 99 THR CG2 C 22.214 0.300 1 1068 99 99 THR N N 120.956 0.300 1 1069 100 100 LEU H H 9.394 0.030 1 1070 100 100 LEU HA H 4.810 0.030 1 1071 100 100 LEU HB2 H 1.854 0.030 2 1072 100 100 LEU HB3 H 1.063 0.030 2 1073 100 100 LEU HD1 H 0.753 0.030 1 1074 100 100 LEU HD2 H 0.599 0.030 1 1075 100 100 LEU HG H 1.711 0.030 1 1076 100 100 LEU C C 175.507 0.300 1 1077 100 100 LEU CA C 53.952 0.300 1 1078 100 100 LEU CB C 43.992 0.300 1 1079 100 100 LEU CD1 C 25.976 0.300 2 1080 100 100 LEU CD2 C 24.959 0.300 2 1081 100 100 LEU CG C 27.944 0.300 1 1082 100 100 LEU N N 131.605 0.300 1 1083 101 101 THR H H 8.951 0.030 1 1084 101 101 THR HA H 4.932 0.030 1 1085 101 101 THR HB H 3.953 0.030 1 1086 101 101 THR HG2 H 0.946 0.030 1 1087 101 101 THR C C 174.277 0.300 1 1088 101 101 THR CA C 62.235 0.300 1 1089 101 101 THR CB C 69.190 0.300 1 1090 101 101 THR CG2 C 21.629 0.300 1 1091 101 101 THR N N 120.015 0.300 1 1092 102 102 PHE H H 9.714 0.030 1 1093 102 102 PHE HA H 5.064 0.030 1 1094 102 102 PHE HB2 H 3.110 0.030 2 1095 102 102 PHE HB3 H 2.618 0.030 2 1096 102 102 PHE HD1 H 7.093 0.030 1 1097 102 102 PHE HD2 H 7.093 0.030 1 1098 102 102 PHE HE1 H 6.932 0.030 1 1099 102 102 PHE HE2 H 6.932 0.030 1 1100 102 102 PHE HZ H 6.905 0.030 1 1101 102 102 PHE C C 174.524 0.300 1 1102 102 102 PHE CA C 56.549 0.300 1 1103 102 102 PHE CB C 42.176 0.300 1 1104 102 102 PHE CD1 C 131.450 0.300 1 1105 102 102 PHE CD2 C 131.450 0.300 1 1106 102 102 PHE CE1 C 130.312 0.300 1 1107 102 102 PHE CE2 C 130.312 0.300 1 1108 102 102 PHE CZ C 128.221 0.300 1 1109 102 102 PHE N N 127.265 0.300 1 1110 103 103 VAL H H 8.501 0.030 1 1111 103 103 VAL HA H 4.667 0.030 1 1112 103 103 VAL HB H 1.838 0.030 1 1113 103 103 VAL HG1 H 0.711 0.030 1 1114 103 103 VAL HG2 H 0.850 0.030 1 1115 103 103 VAL C C 175.462 0.300 1 1116 103 103 VAL CA C 62.211 0.300 1 1117 103 103 VAL CB C 32.288 0.300 1 1118 103 103 VAL CG1 C 21.557 0.300 2 1119 103 103 VAL CG2 C 20.793 0.300 2 1120 103 103 VAL N N 121.507 0.300 1 1121 104 104 LEU H H 9.432 0.030 1 1122 104 104 LEU HA H 5.709 0.030 1 1123 104 104 LEU HB2 H 1.635 0.030 2 1124 104 104 LEU HB3 H 1.329 0.030 2 1125 104 104 LEU HD1 H 0.810 0.030 1 1126 104 104 LEU HD2 H 0.783 0.030 1 1127 104 104 LEU HG H 1.662 0.030 1 1128 104 104 LEU C C 176.775 0.300 1 1129 104 104 LEU CA C 53.178 0.300 1 1130 104 104 LEU CB C 47.290 0.300 1 1131 104 104 LEU CD1 C 26.134 0.300 2 1132 104 104 LEU CD2 C 26.333 0.300 2 1133 104 104 LEU CG C 26.361 0.300 1 1134 104 104 LEU N N 126.413 0.300 1 1135 105 105 ILE H H 8.926 0.030 1 1136 105 105 ILE HA H 4.850 0.030 1 1137 105 105 ILE HB H 1.886 0.030 1 1138 105 105 ILE HD1 H 0.805 0.030 1 1139 105 105 ILE HG12 H 1.503 0.030 2 1140 105 105 ILE HG13 H 1.036 0.030 2 1141 105 105 ILE HG2 H 0.952 0.030 1 1142 105 105 ILE C C 175.460 0.300 1 1143 105 105 ILE CA C 58.892 0.300 1 1144 105 105 ILE CB C 39.434 0.300 1 1145 105 105 ILE CD1 C 13.499 0.300 1 1146 105 105 ILE CG1 C 27.456 0.300 1 1147 105 105 ILE CG2 C 17.187 0.300 1 1148 105 105 ILE N N 119.882 0.300 1 1149 106 106 PRO HA H 4.479 0.030 1 1150 106 106 PRO HB2 H 2.176 0.030 2 1151 106 106 PRO HB3 H 1.976 0.030 2 1152 106 106 PRO HD2 H 3.908 0.030 2 1153 106 106 PRO HD3 H 3.701 0.030 2 1154 106 106 PRO HG2 H 2.070 0.030 2 1155 106 106 PRO HG3 H 1.766 0.030 2 1156 106 106 PRO C C 176.602 0.300 1 1157 106 106 PRO CA C 62.317 0.300 1 1158 106 106 PRO CB C 32.558 0.300 1 1159 106 106 PRO CD C 51.673 0.300 1 1160 106 106 PRO CG C 27.476 0.300 1 1161 107 107 SER H H 9.122 0.030 1 1162 107 107 SER HA H 4.270 0.030 1 1163 107 107 SER HB2 H 3.891 0.030 2 1164 107 107 SER HB3 H 3.703 0.030 2 1165 107 107 SER C C 175.752 0.300 1 1166 107 107 SER CA C 58.480 0.300 1 1167 107 107 SER CB C 63.690 0.300 1 1168 107 107 SER N N 116.745 0.300 1 1169 108 108 SER H H 8.567 0.030 1 1170 108 108 SER HA H 4.489 0.030 1 1171 108 108 SER HB2 H 3.896 0.030 2 1172 108 108 SER HB3 H 3.846 0.030 2 1173 108 108 SER C C 174.588 0.300 1 1174 108 108 SER CA C 58.425 0.300 1 1175 108 108 SER CB C 63.890 0.300 1 1176 108 108 SER N N 119.408 0.300 1 1177 109 109 GLY H H 8.196 0.030 1 1178 109 109 GLY HA2 H 4.090 0.030 1 1179 109 109 GLY HA3 H 4.090 0.030 1 1180 109 109 GLY C C 171.657 0.300 1 1181 109 109 GLY CA C 44.663 0.300 1 1182 109 109 GLY N N 110.489 0.300 1 1183 110 110 PRO HA H 4.452 0.030 1 1184 110 110 PRO HB2 H 2.255 0.030 2 1185 110 110 PRO HB3 H 1.946 0.030 2 1186 110 110 PRO HD2 H 3.595 0.030 1 1187 110 110 PRO HD3 H 3.595 0.030 1 1188 110 110 PRO HG2 H 1.993 0.030 1 1189 110 110 PRO HG3 H 1.993 0.030 1 1190 110 110 PRO C C 177.360 0.300 1 1191 110 110 PRO CA C 63.102 0.300 1 1192 110 110 PRO CB C 32.235 0.300 1 1193 110 110 PRO CD C 49.752 0.300 1 1194 110 110 PRO CG C 27.147 0.300 1 1195 111 111 SER H H 8.502 0.030 1 1196 111 111 SER HA H 4.479 0.030 1 1197 111 111 SER HB2 H 3.884 0.030 1 1198 111 111 SER HB3 H 3.884 0.030 1 1199 111 111 SER C C 174.685 0.300 1 1200 111 111 SER CA C 58.362 0.300 1 1201 111 111 SER CB C 63.824 0.300 1 1202 111 111 SER N N 116.444 0.300 1 1203 112 112 SER H H 8.329 0.030 1 1204 112 112 SER HA H 4.471 0.030 1 1205 112 112 SER HB2 H 3.876 0.030 1 1206 112 112 SER HB3 H 3.876 0.030 1 1207 112 112 SER C C 173.935 0.300 1 1208 112 112 SER CA C 58.389 0.300 1 1209 112 112 SER CB C 63.904 0.300 1 1210 112 112 SER N N 117.873 0.300 1 1211 113 113 GLY H H 8.038 0.030 1 1212 113 113 GLY HA2 H 3.762 0.030 1 1213 113 113 GLY HA3 H 3.762 0.030 1 1214 113 113 GLY C C 178.981 0.300 1 1215 113 113 GLY CA C 46.193 0.300 1 1216 113 113 GLY N N 116.824 0.300 1 stop_ save_