data_11201 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the fourth PDZ domain of KIAA1095 protein ; _BMRB_accession_number 11201 _BMRB_flat_file_name bmr11201.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 Saito K. . . 3 Kigawa T. . . 4 Hayashi F. . . 5 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" 714 "13C chemical shifts" 519 "15N chemical shifts" 139 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 fourth PDZ domain of KIAA1095 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 Saito K. . . 3 Kigawa T. . . 4 Hayashi F. . . 5 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 'KIAA1095 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PDZ domain of KIAA1095 protein' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PDZ domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 124 _Mol_residue_sequence ; GSSGSSGDIHQEMDREELEL EEVDLYRMNSQDKLGLTVCY RTDDEDDIGIYISEIDPNSI AAKDGRIREGDRIIQINGIE VQNREEAVALLTSEENKNFS LLIARPELQLDEGWMDDDSG PSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 ASP 9 ILE 10 HIS 11 GLN 12 GLU 13 MET 14 ASP 15 ARG 16 GLU 17 GLU 18 LEU 19 GLU 20 LEU 21 GLU 22 GLU 23 VAL 24 ASP 25 LEU 26 TYR 27 ARG 28 MET 29 ASN 30 SER 31 GLN 32 ASP 33 LYS 34 LEU 35 GLY 36 LEU 37 THR 38 VAL 39 CYS 40 TYR 41 ARG 42 THR 43 ASP 44 ASP 45 GLU 46 ASP 47 ASP 48 ILE 49 GLY 50 ILE 51 TYR 52 ILE 53 SER 54 GLU 55 ILE 56 ASP 57 PRO 58 ASN 59 SER 60 ILE 61 ALA 62 ALA 63 LYS 64 ASP 65 GLY 66 ARG 67 ILE 68 ARG 69 GLU 70 GLY 71 ASP 72 ARG 73 ILE 74 ILE 75 GLN 76 ILE 77 ASN 78 GLY 79 ILE 80 GLU 81 VAL 82 GLN 83 ASN 84 ARG 85 GLU 86 GLU 87 ALA 88 VAL 89 ALA 90 LEU 91 LEU 92 THR 93 SER 94 GLU 95 GLU 96 ASN 97 LYS 98 ASN 99 PHE 100 SER 101 LEU 102 LEU 103 ILE 104 ALA 105 ARG 106 PRO 107 GLU 108 LEU 109 GLN 110 LEU 111 ASP 112 GLU 113 GLY 114 TRP 115 MET 116 ASP 117 ASP 118 ASP 119 SER 120 GLY 121 PRO 122 SER 123 SER 124 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-31 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 1WH1 "Solution Structure Of The Fourth Pdz Domain Of Kiaa1095 Protein" 100.00 124 100.00 100.00 2.21e-81 DBJ BAA83047 "KIAA1095 protein [Homo sapiens]" 90.32 1098 100.00 100.00 3.50e-67 DBJ BAC11068 "unnamed protein product [Homo sapiens]" 85.48 320 100.00 100.00 9.69e-67 DBJ BAD32376 "mKIAA1095 protein [Mus musculus]" 90.32 1052 98.21 99.11 5.45e-66 DBJ BAE25317 "unnamed protein product [Mus musculus]" 90.32 864 98.21 99.11 1.40e-66 DBJ BAG09968 "PDZ domain-containing RING finger protein 3 [synthetic construct]" 90.32 1066 100.00 100.00 1.87e-67 GB AAF22131 "semaphorin cytoplasmic domain-associated protein 3A [Mus musculus]" 90.32 1063 98.21 99.11 7.13e-66 GB AAF22132 "semaphorin cytoplasmic domain-associated protein 3B [Mus musculus]" 90.32 1011 98.21 99.11 4.91e-66 GB AAH10329 "Pdzrn3 protein [Mus musculus]" 85.48 654 99.06 99.06 5.57e-63 GB AAI50624 "PDZ domain containing ring finger 3 [Homo sapiens]" 90.32 1066 100.00 100.00 1.94e-67 GB AAI52418 "PDZ domain containing ring finger 3 [Homo sapiens]" 90.32 1066 100.00 100.00 1.87e-67 REF NP_001258180 "E3 ubiquitin-protein ligase PDZRN3 [Rattus norvegicus]" 90.32 1063 98.21 99.11 7.96e-66 REF NP_001290068 "E3 ubiquitin-protein ligase PDZRN3 isoform 2 [Homo sapiens]" 90.32 764 100.00 100.00 1.79e-68 REF NP_001290069 "E3 ubiquitin-protein ligase PDZRN3 isoform 3 [Homo sapiens]" 90.32 723 100.00 100.00 1.72e-68 REF NP_001290070 "E3 ubiquitin-protein ligase PDZRN3 isoform 4 [Homo sapiens]" 90.32 788 100.00 100.00 3.40e-68 REF NP_001290071 "E3 ubiquitin-protein ligase PDZRN3 isoform 5 [Homo sapiens]" 90.32 783 100.00 100.00 2.43e-68 SP P68907 "RecName: Full=E3 ubiquitin-protein ligase PDZRN3; AltName: Full=PDZ domain-containing RING finger protein 3; AltName: Full=Sema" 90.32 1062 98.21 99.11 7.99e-66 SP Q69ZS0 "RecName: Full=E3 ubiquitin-protein ligase PDZRN3; AltName: Full=PDZ domain-containing RING finger protein 3; AltName: Full=Sema" 90.32 1063 98.21 99.11 6.00e-66 SP Q9UPQ7 "RecName: Full=E3 ubiquitin-protein ligase PDZRN3; AltName: Full=Ligand of Numb protein X 3; AltName: Full=PDZ domain-containing" 90.32 1066 100.00 100.00 1.87e-67 TPG DAA17105 "TPA: KIAA1095 protein-like isoform 1 [Bos taurus]" 88.71 1065 99.09 100.00 2.85e-65 TPG DAA17106 "TPA: KIAA1095 protein-like isoform 2 [Bos taurus]" 88.71 1061 99.09 100.00 3.03e-65 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity_1 human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_type _Vector_name $entity_1 'cell free synthesis' 'E. coli' Escherichia coli . plasmid P021030-39 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details ; 1.10mM 13C, 15N-labeled {protein;20mM} {PiNa(pH6.0);} 100mM {NaCl;} 1mM {d-DTT;} 0.02% NaN3 ; loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.10 mM '[U-13C; U-15N]' PiNa 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 1 mM 'natural abundance' NaN3 0.02 % 'natural abundance' H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name xwinnmr _Version 2.6 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address Delaglio.F. . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_Kujira _Saveframe_category software _Name Kujira _Version 0.854 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 1.0.7 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task refinement 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _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 $XWINNMR $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 'PDZ domain of KIAA1095 protein' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 SER HA H 4.503 0.030 1 2 2 2 SER HB2 H 3.851 0.030 1 3 2 2 SER HB3 H 3.851 0.030 1 4 2 2 SER C C 172.472 0.300 1 5 2 2 SER CA C 56.049 0.300 1 6 2 2 SER CB C 61.597 0.300 1 7 3 3 SER H H 8.522 0.030 1 8 3 3 SER HA H 4.444 0.030 1 9 3 3 SER HB2 H 3.851 0.030 1 10 3 3 SER HB3 H 3.851 0.030 1 11 3 3 SER C C 172.752 0.300 1 12 3 3 SER CA C 56.284 0.300 1 13 3 3 SER CB C 61.526 0.300 1 14 3 3 SER N N 117.740 0.300 1 15 4 4 GLY H H 8.407 0.030 1 16 4 4 GLY HA2 H 3.956 0.030 1 17 4 4 GLY HA3 H 3.956 0.030 1 18 4 4 GLY C C 172.004 0.300 1 19 4 4 GLY CA C 43.038 0.300 1 20 4 4 GLY N N 110.649 0.300 1 21 5 5 SER H H 8.230 0.030 1 22 5 5 SER HA H 4.450 0.030 1 23 5 5 SER HB2 H 3.861 0.030 1 24 5 5 SER HB3 H 3.861 0.030 1 25 5 5 SER C C 172.646 0.300 1 26 5 5 SER CA C 55.936 0.300 1 27 5 5 SER CB C 61.660 0.300 1 28 5 5 SER N N 115.556 0.300 1 29 6 6 SER H H 8.394 0.030 1 30 6 6 SER HA H 4.398 0.030 1 31 6 6 SER HB2 H 3.882 0.030 1 32 6 6 SER HB3 H 3.882 0.030 1 33 6 6 SER C C 172.736 0.300 1 34 6 6 SER CA C 56.526 0.300 1 35 6 6 SER CB C 61.498 0.300 1 36 6 6 SER N N 117.529 0.300 1 37 7 7 GLY H H 8.311 0.030 1 38 7 7 GLY HA2 H 3.889 0.030 1 39 7 7 GLY HA3 H 3.889 0.030 1 40 7 7 GLY C C 171.486 0.300 1 41 7 7 GLY CA C 43.023 0.300 1 42 7 7 GLY N N 110.231 0.300 1 43 8 8 ASP H H 8.090 0.030 1 44 8 8 ASP HA H 4.534 0.030 1 45 8 8 ASP HB2 H 2.605 0.030 2 46 8 8 ASP HB3 H 2.491 0.030 2 47 8 8 ASP C C 173.980 0.300 1 48 8 8 ASP CA C 51.894 0.300 1 49 8 8 ASP CB C 38.904 0.300 1 50 8 8 ASP N N 120.149 0.300 1 51 9 9 ILE H H 7.966 0.030 1 52 9 9 ILE HA H 4.058 0.030 1 53 9 9 ILE HB H 1.763 0.030 1 54 9 9 ILE HD1 H 0.738 0.030 1 55 9 9 ILE HG12 H 1.234 0.030 2 56 9 9 ILE HG13 H 1.055 0.030 2 57 9 9 ILE HG2 H 0.749 0.030 1 58 9 9 ILE C C 173.894 0.300 1 59 9 9 ILE CA C 58.965 0.300 1 60 9 9 ILE CB C 36.287 0.300 1 61 9 9 ILE CD1 C 10.752 0.300 1 62 9 9 ILE CG1 C 24.789 0.300 1 63 9 9 ILE CG2 C 15.107 0.300 1 64 9 9 ILE N N 120.246 0.300 1 65 10 10 HIS H H 8.513 0.030 1 66 10 10 HIS HA H 4.618 0.030 1 67 10 10 HIS HB2 H 3.183 0.030 2 68 10 10 HIS HB3 H 3.093 0.030 2 69 10 10 HIS HD2 H 7.168 0.030 1 70 10 10 HIS HE1 H 8.422 0.030 1 71 10 10 HIS C C 172.167 0.300 1 72 10 10 HIS CA C 53.272 0.300 1 73 10 10 HIS CB C 26.733 0.300 1 74 10 10 HIS CD2 C 117.817 0.300 1 75 10 10 HIS CE1 C 134.425 0.300 1 76 10 10 HIS N N 122.264 0.300 1 77 11 11 GLN H H 8.316 0.030 1 78 11 11 GLN HA H 4.256 0.030 1 79 11 11 GLN HB2 H 1.979 0.030 1 80 11 11 GLN HB3 H 1.979 0.030 1 81 11 11 GLN HE21 H 7.506 0.030 2 82 11 11 GLN HE22 H 6.785 0.030 2 83 11 11 GLN HG2 H 2.254 0.030 1 84 11 11 GLN HG3 H 2.254 0.030 1 85 11 11 GLN C C 173.459 0.300 1 86 11 11 GLN CA C 53.605 0.300 1 87 11 11 GLN CB C 27.854 0.300 1 88 11 11 GLN CG C 31.309 0.300 1 89 11 11 GLN N N 121.731 0.300 1 90 11 11 GLN NE2 N 112.500 0.300 1 91 12 12 GLU H H 8.509 0.030 1 92 12 12 GLU HA H 4.196 0.030 1 93 12 12 GLU HB2 H 1.987 0.030 2 94 12 12 GLU HB3 H 1.869 0.030 2 95 12 12 GLU HG2 H 2.213 0.030 1 96 12 12 GLU HG3 H 2.213 0.030 1 97 12 12 GLU C C 174.214 0.300 1 98 12 12 GLU CA C 54.386 0.300 1 99 12 12 GLU CB C 27.671 0.300 1 100 12 12 GLU CG C 33.776 0.300 1 101 12 12 GLU N N 121.948 0.300 1 102 13 13 MET H H 8.308 0.030 1 103 13 13 MET HA H 4.391 0.030 1 104 13 13 MET HB2 H 2.009 0.030 2 105 13 13 MET HB3 H 1.924 0.030 2 106 13 13 MET HE H 1.995 0.030 1 107 13 13 MET HG2 H 2.510 0.030 2 108 13 13 MET HG3 H 2.444 0.030 2 109 13 13 MET C C 173.594 0.300 1 110 13 13 MET CA C 53.275 0.300 1 111 13 13 MET CB C 30.841 0.300 1 112 13 13 MET CE C 14.744 0.300 1 113 13 13 MET CG C 29.709 0.300 1 114 13 13 MET N N 120.597 0.300 1 115 14 14 ASP H H 8.319 0.030 1 116 14 14 ASP HA H 4.518 0.030 1 117 14 14 ASP HB2 H 2.641 0.030 2 118 14 14 ASP HB3 H 2.545 0.030 2 119 14 14 ASP C C 173.747 0.300 1 120 14 14 ASP CA C 52.181 0.300 1 121 14 14 ASP CB C 38.763 0.300 1 122 14 14 ASP N N 121.403 0.300 1 123 15 15 ARG H H 8.131 0.030 1 124 15 15 ARG HA H 4.260 0.030 1 125 15 15 ARG HB2 H 1.793 0.030 2 126 15 15 ARG HB3 H 1.689 0.030 2 127 15 15 ARG HD2 H 3.108 0.030 1 128 15 15 ARG HD3 H 3.108 0.030 1 129 15 15 ARG HE H 7.236 0.030 1 130 15 15 ARG HG2 H 1.534 0.030 1 131 15 15 ARG HG3 H 1.534 0.030 1 132 15 15 ARG C C 173.859 0.300 1 133 15 15 ARG CA C 53.771 0.300 1 134 15 15 ARG CB C 28.721 0.300 1 135 15 15 ARG CD C 41.104 0.300 1 136 15 15 ARG CG C 24.704 0.300 1 137 15 15 ARG N N 120.666 0.300 1 138 15 15 ARG NE N 84.406 0.300 1 139 16 16 GLU H H 8.400 0.030 1 140 16 16 GLU HA H 4.205 0.030 1 141 16 16 GLU HB2 H 1.947 0.030 1 142 16 16 GLU HB3 H 1.947 0.030 1 143 16 16 GLU HG2 H 2.211 0.030 2 144 16 16 GLU HG3 H 2.166 0.030 2 145 16 16 GLU C C 173.952 0.300 1 146 16 16 GLU CA C 54.301 0.300 1 147 16 16 GLU CB C 27.916 0.300 1 148 16 16 GLU CG C 33.795 0.300 1 149 16 16 GLU N N 121.469 0.300 1 150 17 17 GLU H H 8.369 0.030 1 151 17 17 GLU HA H 4.255 0.030 1 152 17 17 GLU HB2 H 1.967 0.030 2 153 17 17 GLU HB3 H 1.847 0.030 2 154 17 17 GLU HG2 H 2.202 0.030 2 155 17 17 GLU HG3 H 2.165 0.030 2 156 17 17 GLU C C 173.593 0.300 1 157 17 17 GLU CA C 53.996 0.300 1 158 17 17 GLU CB C 27.719 0.300 1 159 17 17 GLU CG C 33.587 0.300 1 160 17 17 GLU N N 121.207 0.300 1 161 18 18 LEU H H 8.024 0.030 1 162 18 18 LEU HA H 4.429 0.030 1 163 18 18 LEU HB2 H 1.516 0.030 2 164 18 18 LEU HB3 H 1.295 0.030 2 165 18 18 LEU HD1 H 0.755 0.030 1 166 18 18 LEU HD2 H 0.697 0.030 1 167 18 18 LEU HG H 1.513 0.030 1 168 18 18 LEU C C 174.105 0.300 1 169 18 18 LEU CA C 52.106 0.300 1 170 18 18 LEU CB C 41.389 0.300 1 171 18 18 LEU CD1 C 22.941 0.300 2 172 18 18 LEU CD2 C 21.014 0.300 2 173 18 18 LEU CG C 24.489 0.300 1 174 18 18 LEU N N 122.081 0.300 1 175 19 19 GLU H H 8.745 0.030 1 176 19 19 GLU HA H 4.345 0.030 1 177 19 19 GLU HB2 H 1.970 0.030 2 178 19 19 GLU HB3 H 1.860 0.030 2 179 19 19 GLU HG2 H 2.201 0.030 2 180 19 19 GLU HG3 H 2.079 0.030 2 181 19 19 GLU C C 172.674 0.300 1 182 19 19 GLU CA C 53.468 0.300 1 183 19 19 GLU CB C 28.069 0.300 1 184 19 19 GLU CG C 33.540 0.300 1 185 19 19 GLU N N 123.005 0.300 1 186 20 20 LEU H H 8.087 0.030 1 187 20 20 LEU HA H 5.198 0.030 1 188 20 20 LEU HB2 H 1.585 0.030 2 189 20 20 LEU HB3 H 1.246 0.030 2 190 20 20 LEU HD1 H 0.770 0.030 1 191 20 20 LEU HD2 H 0.697 0.030 1 192 20 20 LEU HG H 1.523 0.030 1 193 20 20 LEU C C 174.928 0.300 1 194 20 20 LEU CA C 51.380 0.300 1 195 20 20 LEU CB C 41.984 0.300 1 196 20 20 LEU CD1 C 23.156 0.300 2 197 20 20 LEU CD2 C 21.950 0.300 2 198 20 20 LEU CG C 24.989 0.300 1 199 20 20 LEU N N 124.138 0.300 1 200 21 21 GLU H H 8.895 0.030 1 201 21 21 GLU HA H 4.460 0.030 1 202 21 21 GLU HB2 H 1.735 0.030 2 203 21 21 GLU HB3 H 1.695 0.030 2 204 21 21 GLU HG2 H 2.102 0.030 2 205 21 21 GLU HG3 H 1.976 0.030 2 206 21 21 GLU C C 171.541 0.300 1 207 21 21 GLU CA C 52.924 0.300 1 208 21 21 GLU CB C 30.659 0.300 1 209 21 21 GLU CG C 33.123 0.300 1 210 21 21 GLU N N 121.843 0.300 1 211 22 22 GLU H H 8.618 0.030 1 212 22 22 GLU HA H 4.976 0.030 1 213 22 22 GLU HB2 H 1.902 0.030 2 214 22 22 GLU HB3 H 1.766 0.030 2 215 22 22 GLU HG2 H 1.992 0.030 1 216 22 22 GLU HG3 H 1.992 0.030 1 217 22 22 GLU C C 173.416 0.300 1 218 22 22 GLU CA C 52.802 0.300 1 219 22 22 GLU CB C 28.066 0.300 1 220 22 22 GLU CG C 33.631 0.300 1 221 22 22 GLU N N 125.440 0.300 1 222 23 23 VAL H H 9.208 0.030 1 223 23 23 VAL HA H 3.929 0.030 1 224 23 23 VAL HB H 1.792 0.030 1 225 23 23 VAL HG1 H 0.757 0.030 1 226 23 23 VAL HG2 H 0.653 0.030 1 227 23 23 VAL C C 170.898 0.300 1 228 23 23 VAL CA C 60.115 0.300 1 229 23 23 VAL CB C 32.355 0.300 1 230 23 23 VAL CG1 C 18.322 0.300 2 231 23 23 VAL CG2 C 18.838 0.300 2 232 23 23 VAL N N 127.903 0.300 1 233 24 24 ASP H H 8.117 0.030 1 234 24 24 ASP HA H 5.440 0.030 1 235 24 24 ASP HB2 H 2.525 0.030 1 236 24 24 ASP HB3 H 2.525 0.030 1 237 24 24 ASP C C 171.933 0.300 1 238 24 24 ASP CA C 50.350 0.300 1 239 24 24 ASP CB C 38.545 0.300 1 240 24 24 ASP N N 125.734 0.300 1 241 25 25 LEU H H 8.712 0.030 1 242 25 25 LEU HA H 4.624 0.030 1 243 25 25 LEU HB2 H 1.575 0.030 2 244 25 25 LEU HB3 H 1.157 0.030 2 245 25 25 LEU HD1 H 0.605 0.030 1 246 25 25 LEU HD2 H 0.765 0.030 1 247 25 25 LEU HG H 1.448 0.030 1 248 25 25 LEU C C 172.863 0.300 1 249 25 25 LEU CA C 50.607 0.300 1 250 25 25 LEU CB C 43.096 0.300 1 251 25 25 LEU CD1 C 24.183 0.300 2 252 25 25 LEU CD2 C 20.976 0.300 2 253 25 25 LEU CG C 24.286 0.300 1 254 25 25 LEU N N 121.454 0.300 1 255 26 26 TYR H H 8.558 0.030 1 256 26 26 TYR HA H 5.249 0.030 1 257 26 26 TYR HB2 H 2.875 0.030 2 258 26 26 TYR HB3 H 2.759 0.030 2 259 26 26 TYR HD1 H 7.011 0.030 1 260 26 26 TYR HD2 H 7.011 0.030 1 261 26 26 TYR HE1 H 6.655 0.030 1 262 26 26 TYR HE2 H 6.655 0.030 1 263 26 26 TYR C C 172.180 0.300 1 264 26 26 TYR CA C 54.135 0.300 1 265 26 26 TYR CB C 38.806 0.300 1 266 26 26 TYR CD1 C 131.196 0.300 1 267 26 26 TYR CD2 C 131.196 0.300 1 268 26 26 TYR CE1 C 115.589 0.300 1 269 26 26 TYR CE2 C 115.589 0.300 1 270 26 26 TYR N N 121.172 0.300 1 271 27 27 ARG H H 8.793 0.030 1 272 27 27 ARG HA H 4.470 0.030 1 273 27 27 ARG HB2 H 1.951 0.030 2 274 27 27 ARG HB3 H 1.598 0.030 2 275 27 27 ARG HD2 H 3.322 0.030 2 276 27 27 ARG HD3 H 3.162 0.030 2 277 27 27 ARG HE H 7.018 0.030 1 278 27 27 ARG HG2 H 1.429 0.030 2 279 27 27 ARG HG3 H 1.612 0.030 2 280 27 27 ARG C C 172.464 0.300 1 281 27 27 ARG CA C 52.530 0.300 1 282 27 27 ARG CB C 29.476 0.300 1 283 27 27 ARG CD C 41.957 0.300 1 284 27 27 ARG CG C 25.287 0.300 1 285 27 27 ARG N N 123.867 0.300 1 286 27 27 ARG NE N 83.072 0.300 1 287 28 28 MET H H 8.635 0.030 1 288 28 28 MET HA H 4.253 0.030 1 289 28 28 MET HB2 H 2.026 0.030 1 290 28 28 MET HB3 H 2.026 0.030 1 291 28 28 MET HE H 2.049 0.030 1 292 28 28 MET HG2 H 2.599 0.030 2 293 28 28 MET HG3 H 2.485 0.030 2 294 28 28 MET C C 173.746 0.300 1 295 28 28 MET CA C 54.498 0.300 1 296 28 28 MET CB C 30.785 0.300 1 297 28 28 MET CE C 14.638 0.300 1 298 28 28 MET CG C 29.923 0.300 1 299 28 28 MET N N 122.825 0.300 1 300 29 29 ASN H H 8.031 0.030 1 301 29 29 ASN HA H 4.832 0.030 1 302 29 29 ASN HB2 H 2.873 0.030 2 303 29 29 ASN HB3 H 2.694 0.030 2 304 29 29 ASN HD21 H 7.734 0.030 2 305 29 29 ASN HD22 H 6.865 0.030 2 306 29 29 ASN C C 173.549 0.300 1 307 29 29 ASN CA C 49.532 0.300 1 308 29 29 ASN CB C 38.120 0.300 1 309 29 29 ASN N N 115.670 0.300 1 310 29 29 ASN ND2 N 114.519 0.300 1 311 30 30 SER H H 8.793 0.030 1 312 30 30 SER HA H 4.054 0.030 1 313 30 30 SER HB2 H 3.903 0.030 2 314 30 30 SER HB3 H 3.842 0.030 2 315 30 30 SER C C 172.420 0.300 1 316 30 30 SER CA C 58.779 0.300 1 317 30 30 SER CB C 60.728 0.300 1 318 30 30 SER N N 117.416 0.300 1 319 31 31 GLN H H 8.324 0.030 1 320 31 31 GLN HA H 4.191 0.030 1 321 31 31 GLN HB2 H 2.099 0.030 2 322 31 31 GLN HB3 H 1.937 0.030 2 323 31 31 GLN HE21 H 7.483 0.030 2 324 31 31 GLN HE22 H 6.762 0.030 2 325 31 31 GLN HG2 H 2.299 0.030 1 326 31 31 GLN HG3 H 2.299 0.030 1 327 31 31 GLN C C 174.274 0.300 1 328 31 31 GLN CA C 54.120 0.300 1 329 31 31 GLN CB C 26.306 0.300 1 330 31 31 GLN CG C 31.817 0.300 1 331 31 31 GLN N N 117.334 0.300 1 332 31 31 GLN NE2 N 112.097 0.300 1 333 32 32 ASP H H 7.641 0.030 1 334 32 32 ASP HA H 4.527 0.030 1 335 32 32 ASP HB2 H 2.748 0.030 2 336 32 32 ASP HB3 H 2.487 0.030 2 337 32 32 ASP C C 173.353 0.300 1 338 32 32 ASP CA C 52.469 0.300 1 339 32 32 ASP CB C 39.236 0.300 1 340 32 32 ASP N N 120.966 0.300 1 341 33 33 LYS H H 8.663 0.030 1 342 33 33 LYS HA H 4.403 0.030 1 343 33 33 LYS HB2 H 1.779 0.030 2 344 33 33 LYS HB3 H 1.666 0.030 2 345 33 33 LYS HD2 H 1.602 0.030 1 346 33 33 LYS HD3 H 1.602 0.030 1 347 33 33 LYS HE2 H 2.935 0.030 2 348 33 33 LYS HE3 H 2.880 0.030 2 349 33 33 LYS HG2 H 1.418 0.030 1 350 33 33 LYS HG3 H 1.418 0.030 1 351 33 33 LYS C C 174.464 0.300 1 352 33 33 LYS CA C 52.334 0.300 1 353 33 33 LYS CB C 31.372 0.300 1 354 33 33 LYS CD C 26.593 0.300 1 355 33 33 LYS CE C 39.971 0.300 1 356 33 33 LYS CG C 22.312 0.300 1 357 33 33 LYS N N 121.291 0.300 1 358 34 34 LEU H H 8.921 0.030 1 359 34 34 LEU HA H 3.922 0.030 1 360 34 34 LEU HB2 H 1.415 0.030 2 361 34 34 LEU HB3 H 1.362 0.030 2 362 34 34 LEU HD1 H 0.249 0.030 1 363 34 34 LEU HD2 H 0.199 0.030 1 364 34 34 LEU HG H 1.219 0.030 1 365 34 34 LEU C C 175.725 0.300 1 366 34 34 LEU CA C 56.044 0.300 1 367 34 34 LEU CB C 39.324 0.300 1 368 34 34 LEU CD1 C 22.022 0.300 2 369 34 34 LEU CD2 C 21.941 0.300 2 370 34 34 LEU CG C 24.879 0.300 1 371 34 34 LEU N N 123.569 0.300 1 372 35 35 GLY H H 8.182 0.030 1 373 35 35 GLY HA2 H 4.500 0.030 2 374 35 35 GLY HA3 H 3.681 0.030 2 375 35 35 GLY C C 172.219 0.300 1 376 35 35 GLY CA C 43.274 0.300 1 377 35 35 GLY N N 133.090 0.300 1 378 36 36 LEU H H 7.425 0.030 1 379 36 36 LEU HA H 4.734 0.030 1 380 36 36 LEU HB2 H 1.632 0.030 2 381 36 36 LEU HB3 H 0.892 0.030 2 382 36 36 LEU HD1 H 0.601 0.030 1 383 36 36 LEU HD2 H 0.536 0.030 1 384 36 36 LEU HG H 1.287 0.030 1 385 36 36 LEU C C 173.669 0.300 1 386 36 36 LEU CA C 51.516 0.300 1 387 36 36 LEU CB C 41.368 0.300 1 388 36 36 LEU CD1 C 22.118 0.300 2 389 36 36 LEU CD2 C 23.082 0.300 2 390 36 36 LEU CG C 24.030 0.300 1 391 36 36 LEU N N 117.518 0.300 1 392 37 37 THR H H 8.228 0.030 1 393 37 37 THR HA H 4.519 0.030 1 394 37 37 THR HB H 3.935 0.030 1 395 37 37 THR HG2 H 1.107 0.030 1 396 37 37 THR C C 171.743 0.300 1 397 37 37 THR CA C 59.736 0.300 1 398 37 37 THR CB C 67.563 0.300 1 399 37 37 THR CG2 C 19.047 0.300 1 400 37 37 THR N N 120.446 0.300 1 401 38 38 VAL H H 8.522 0.030 1 402 38 38 VAL HA H 5.347 0.030 1 403 38 38 VAL HB H 1.867 0.030 1 404 38 38 VAL HG1 H 0.503 0.030 1 405 38 38 VAL HG2 H 0.573 0.030 1 406 38 38 VAL C C 172.833 0.300 1 407 38 38 VAL CA C 56.330 0.300 1 408 38 38 VAL CB C 32.138 0.300 1 409 38 38 VAL CG1 C 19.672 0.300 2 410 38 38 VAL CG2 C 16.559 0.300 2 411 38 38 VAL N N 118.739 0.300 1 412 39 39 CYS H H 9.253 0.030 1 413 39 39 CYS HA H 4.678 0.030 1 414 39 39 CYS HB2 H 2.951 0.030 2 415 39 39 CYS HB3 H 2.821 0.030 2 416 39 39 CYS C C 170.254 0.300 1 417 39 39 CYS CA C 53.938 0.300 1 418 39 39 CYS CB C 29.567 0.300 1 419 39 39 CYS N N 118.121 0.300 1 420 40 40 TYR H H 8.350 0.030 1 421 40 40 TYR HA H 5.403 0.030 1 422 40 40 TYR HB2 H 3.199 0.030 2 423 40 40 TYR HB3 H 2.736 0.030 2 424 40 40 TYR HD1 H 7.152 0.030 1 425 40 40 TYR HD2 H 7.152 0.030 1 426 40 40 TYR HE1 H 6.778 0.030 1 427 40 40 TYR HE2 H 6.778 0.030 1 428 40 40 TYR C C 174.181 0.300 1 429 40 40 TYR CA C 54.270 0.300 1 430 40 40 TYR CB C 37.945 0.300 1 431 40 40 TYR CD1 C 130.771 0.300 1 432 40 40 TYR CD2 C 130.771 0.300 1 433 40 40 TYR CE1 C 116.221 0.300 1 434 40 40 TYR CE2 C 116.221 0.300 1 435 40 40 TYR N N 119.275 0.300 1 436 41 41 ARG H H 9.249 0.030 1 437 41 41 ARG HA H 4.369 0.030 1 438 41 41 ARG HB2 H 1.717 0.030 2 439 41 41 ARG HB3 H 1.526 0.030 2 440 41 41 ARG HD2 H 2.604 0.030 1 441 41 41 ARG HD3 H 2.604 0.030 1 442 41 41 ARG HE H 6.976 0.030 1 443 41 41 ARG HG2 H 1.386 0.030 2 444 41 41 ARG HG3 H 1.323 0.030 2 445 41 41 ARG C C 173.863 0.300 1 446 41 41 ARG CA C 53.918 0.300 1 447 41 41 ARG CB C 29.721 0.300 1 448 41 41 ARG CD C 41.018 0.300 1 449 41 41 ARG CG C 24.977 0.300 1 450 41 41 ARG N N 122.633 0.300 1 451 41 41 ARG NE N 84.215 0.300 1 452 42 42 THR H H 8.251 0.030 1 453 42 42 THR HA H 4.469 0.030 1 454 42 42 THR HB H 4.200 0.030 1 455 42 42 THR HG2 H 1.104 0.030 1 456 42 42 THR C C 172.301 0.300 1 457 42 42 THR CA C 59.206 0.300 1 458 42 42 THR CB C 67.516 0.300 1 459 42 42 THR CG2 C 19.335 0.300 1 460 42 42 THR N N 113.982 0.300 1 461 43 43 ASP H H 8.285 0.030 1 462 43 43 ASP HA H 4.518 0.030 1 463 43 43 ASP HB2 H 2.724 0.030 2 464 43 43 ASP HB3 H 2.532 0.030 2 465 43 43 ASP C C 173.835 0.300 1 466 43 43 ASP CA C 52.031 0.300 1 467 43 43 ASP CB C 38.767 0.300 1 468 43 43 ASP N N 120.901 0.300 1 469 44 44 ASP H H 7.888 0.030 1 470 44 44 ASP HA H 4.527 0.030 1 471 44 44 ASP HB2 H 2.685 0.030 2 472 44 44 ASP HB3 H 2.530 0.030 2 473 44 44 ASP C C 174.149 0.300 1 474 44 44 ASP CA C 52.076 0.300 1 475 44 44 ASP CB C 38.977 0.300 1 476 44 44 ASP N N 118.092 0.300 1 477 45 45 GLU H H 8.430 0.030 1 478 45 45 GLU HA H 4.103 0.030 1 479 45 45 GLU HB2 H 2.026 0.030 2 480 45 45 GLU HB3 H 1.881 0.030 2 481 45 45 GLU HG2 H 2.173 0.030 1 482 45 45 GLU HG3 H 2.173 0.030 1 483 45 45 GLU C C 173.870 0.300 1 484 45 45 GLU CA C 55.063 0.300 1 485 45 45 GLU CB C 27.411 0.300 1 486 45 45 GLU CG C 33.848 0.300 1 487 45 45 GLU N N 120.960 0.300 1 488 46 46 ASP H H 8.152 0.030 1 489 46 46 ASP HA H 4.484 0.030 1 490 46 46 ASP HB2 H 2.712 0.030 2 491 46 46 ASP HB3 H 2.585 0.030 2 492 46 46 ASP C C 173.062 0.300 1 493 46 46 ASP CA C 52.530 0.300 1 494 46 46 ASP CB C 38.747 0.300 1 495 46 46 ASP N N 117.125 0.300 1 496 47 47 ASP H H 7.887 0.030 1 497 47 47 ASP HA H 4.650 0.030 1 498 47 47 ASP HB2 H 2.768 0.030 2 499 47 47 ASP HB3 H 2.482 0.030 2 500 47 47 ASP C C 173.765 0.300 1 501 47 47 ASP CA C 51.516 0.300 1 502 47 47 ASP CB C 38.963 0.300 1 503 47 47 ASP N N 120.146 0.300 1 504 48 48 ILE H H 8.140 0.030 1 505 48 48 ILE HA H 4.338 0.030 1 506 48 48 ILE HB H 1.911 0.030 1 507 48 48 ILE HD1 H 0.768 0.030 1 508 48 48 ILE HG12 H 1.363 0.030 2 509 48 48 ILE HG13 H 1.057 0.030 2 510 48 48 ILE HG2 H 0.790 0.030 1 511 48 48 ILE C C 173.989 0.300 1 512 48 48 ILE CA C 58.798 0.300 1 513 48 48 ILE CB C 36.256 0.300 1 514 48 48 ILE CD1 C 11.414 0.300 1 515 48 48 ILE CG1 C 24.970 0.300 1 516 48 48 ILE CG2 C 15.637 0.300 1 517 48 48 ILE N N 121.700 0.300 1 518 49 49 GLY H H 8.492 0.030 1 519 49 49 GLY HA2 H 4.000 0.030 2 520 49 49 GLY HA3 H 3.563 0.030 2 521 49 49 GLY C C 169.186 0.300 1 522 49 49 GLY CA C 42.447 0.300 1 523 49 49 GLY N N 99.671 0.300 1 524 50 50 ILE H H 8.320 0.030 1 525 50 50 ILE HA H 4.490 0.030 1 526 50 50 ILE HB H 1.720 0.030 1 527 50 50 ILE HD1 H 0.486 0.030 1 528 50 50 ILE HG12 H 1.298 0.030 2 529 50 50 ILE HG13 H 0.936 0.030 2 530 50 50 ILE HG2 H 0.531 0.030 1 531 50 50 ILE C C 171.869 0.300 1 532 50 50 ILE CA C 57.314 0.300 1 533 50 50 ILE CB C 35.755 0.300 1 534 50 50 ILE CD1 C 10.921 0.300 1 535 50 50 ILE CG1 C 25.503 0.300 1 536 50 50 ILE CG2 C 16.256 0.300 1 537 50 50 ILE N N 120.498 0.300 1 538 51 51 TYR H H 8.735 0.030 1 539 51 51 TYR HA H 5.247 0.030 1 540 51 51 TYR HB2 H 2.578 0.030 2 541 51 51 TYR HB3 H 2.502 0.030 2 542 51 51 TYR HD1 H 6.931 0.030 1 543 51 51 TYR HD2 H 6.931 0.030 1 544 51 51 TYR HE1 H 6.686 0.030 1 545 51 51 TYR HE2 H 6.686 0.030 1 546 51 51 TYR C C 173.346 0.300 1 547 51 51 TYR CA C 53.817 0.300 1 548 51 51 TYR CB C 39.686 0.300 1 549 51 51 TYR CD1 C 131.515 0.300 1 550 51 51 TYR CD2 C 131.515 0.300 1 551 51 51 TYR CE1 C 115.472 0.300 1 552 51 51 TYR CE2 C 115.472 0.300 1 553 51 51 TYR N N 123.505 0.300 1 554 52 52 ILE H H 8.847 0.030 1 555 52 52 ILE HA H 4.229 0.030 1 556 52 52 ILE HB H 2.044 0.030 1 557 52 52 ILE HD1 H 0.626 0.030 1 558 52 52 ILE HG12 H 1.406 0.030 2 559 52 52 ILE HG13 H 1.108 0.030 2 560 52 52 ILE HG2 H 0.660 0.030 1 561 52 52 ILE C C 174.099 0.300 1 562 52 52 ILE CA C 57.934 0.300 1 563 52 52 ILE CB C 34.857 0.300 1 564 52 52 ILE CD1 C 10.744 0.300 1 565 52 52 ILE CG1 C 25.172 0.300 1 566 52 52 ILE CG2 C 16.290 0.300 1 567 52 52 ILE N N 119.755 0.300 1 568 53 53 SER H H 9.056 0.030 1 569 53 53 SER HA H 4.460 0.030 1 570 53 53 SER HB2 H 3.729 0.030 2 571 53 53 SER HB3 H 3.575 0.030 2 572 53 53 SER C C 172.082 0.300 1 573 53 53 SER CA C 56.072 0.300 1 574 53 53 SER CB C 61.841 0.300 1 575 53 53 SER N N 124.999 0.300 1 576 54 54 GLU H H 7.257 0.030 1 577 54 54 GLU HA H 4.503 0.030 1 578 54 54 GLU HB2 H 1.805 0.030 1 579 54 54 GLU HB3 H 1.805 0.030 1 580 54 54 GLU HG2 H 2.104 0.030 2 581 54 54 GLU HG3 H 2.069 0.030 2 582 54 54 GLU C C 171.464 0.300 1 583 54 54 GLU CA C 53.605 0.300 1 584 54 54 GLU CB C 31.331 0.300 1 585 54 54 GLU CG C 33.984 0.300 1 586 54 54 GLU N N 117.862 0.300 1 587 55 55 ILE H H 8.612 0.030 1 588 55 55 ILE HA H 4.585 0.030 1 589 55 55 ILE HB H 1.496 0.030 1 590 55 55 ILE HD1 H 0.536 0.030 1 591 55 55 ILE HG12 H 1.195 0.030 2 592 55 55 ILE HG13 H 0.584 0.030 2 593 55 55 ILE HG2 H 0.514 0.030 1 594 55 55 ILE C C 173.748 0.300 1 595 55 55 ILE CA C 57.249 0.300 1 596 55 55 ILE CB C 37.813 0.300 1 597 55 55 ILE CD1 C 15.240 0.300 1 598 55 55 ILE CG1 C 25.807 0.300 1 599 55 55 ILE CG2 C 12.530 0.300 1 600 55 55 ILE N N 122.744 0.300 1 601 56 56 ASP H H 8.811 0.030 1 602 56 56 ASP HA H 4.684 0.030 1 603 56 56 ASP HB2 H 2.490 0.030 1 604 56 56 ASP HB3 H 2.490 0.030 1 605 56 56 ASP CA C 50.012 0.300 1 606 56 56 ASP CB C 39.401 0.300 1 607 56 56 ASP N N 129.872 0.300 1 608 57 57 PRO HA H 4.233 0.030 1 609 57 57 PRO HB2 H 2.262 0.030 2 610 57 57 PRO HB3 H 1.836 0.030 2 611 57 57 PRO HD2 H 3.930 0.030 2 612 57 57 PRO HD3 H 3.745 0.030 2 613 57 57 PRO HG2 H 1.988 0.030 2 614 57 57 PRO HG3 H 1.928 0.030 2 615 57 57 PRO CA C 61.999 0.300 1 616 57 57 PRO CB C 29.927 0.300 1 617 57 57 PRO CD C 48.787 0.300 1 618 57 57 PRO CG C 24.952 0.300 1 619 58 58 ASN H H 8.692 0.030 1 620 58 58 ASN HA H 4.703 0.030 1 621 58 58 ASN HB2 H 2.873 0.030 2 622 58 58 ASN HB3 H 2.660 0.030 2 623 58 58 ASN HD21 H 7.738 0.030 2 624 58 58 ASN HD22 H 6.901 0.030 2 625 58 58 ASN C C 171.545 0.300 1 626 58 58 ASN CA C 50.640 0.300 1 627 58 58 ASN CB C 36.083 0.300 1 628 58 58 ASN N N 116.420 0.300 1 629 58 58 ASN ND2 N 114.119 0.300 1 630 59 59 SER H H 7.250 0.030 1 631 59 59 SER HA H 4.627 0.030 1 632 59 59 SER HB2 H 3.666 0.030 2 633 59 59 SER HB3 H 3.936 0.030 2 634 59 59 SER C C 172.371 0.300 1 635 59 59 SER CA C 55.561 0.300 1 636 59 59 SER CB C 64.570 0.300 1 637 59 59 SER N N 112.459 0.300 1 638 60 60 ILE H H 8.529 0.030 1 639 60 60 ILE HA H 3.762 0.030 1 640 60 60 ILE HB H 1.884 0.030 1 641 60 60 ILE HD1 H 0.812 0.030 1 642 60 60 ILE HG12 H 1.489 0.030 2 643 60 60 ILE HG13 H 1.399 0.030 2 644 60 60 ILE HG2 H 0.946 0.030 1 645 60 60 ILE C C 177.016 0.300 1 646 60 60 ILE CA C 61.811 0.300 1 647 60 60 ILE CB C 36.170 0.300 1 648 60 60 ILE CD1 C 10.710 0.300 1 649 60 60 ILE CG1 C 25.873 0.300 1 650 60 60 ILE CG2 C 16.061 0.300 1 651 60 60 ILE N N 118.316 0.300 1 652 61 61 ALA H H 8.248 0.030 1 653 61 61 ALA HA H 3.983 0.030 1 654 61 61 ALA HB H 1.236 0.030 1 655 61 61 ALA C C 178.375 0.300 1 656 61 61 ALA CA C 52.984 0.300 1 657 61 61 ALA CB C 16.747 0.300 1 658 61 61 ALA N N 119.032 0.300 1 659 62 62 ALA H H 7.649 0.030 1 660 62 62 ALA HA H 3.968 0.030 1 661 62 62 ALA HB H 1.481 0.030 1 662 62 62 ALA C C 177.279 0.300 1 663 62 62 ALA CA C 52.611 0.300 1 664 62 62 ALA CB C 16.903 0.300 1 665 62 62 ALA N N 122.353 0.300 1 666 63 63 LYS H H 7.876 0.030 1 667 63 63 LYS HA H 3.922 0.030 1 668 63 63 LYS HB2 H 1.855 0.030 2 669 63 63 LYS HB3 H 1.773 0.030 2 670 63 63 LYS HD2 H 1.623 0.030 2 671 63 63 LYS HD3 H 1.540 0.030 2 672 63 63 LYS HE2 H 2.878 0.030 1 673 63 63 LYS HE3 H 2.878 0.030 1 674 63 63 LYS HG2 H 1.530 0.030 2 675 63 63 LYS HG3 H 1.428 0.030 2 676 63 63 LYS C C 175.890 0.300 1 677 63 63 LYS CA C 56.406 0.300 1 678 63 63 LYS CB C 30.215 0.300 1 679 63 63 LYS CD C 26.883 0.300 1 680 63 63 LYS CE C 39.915 0.300 1 681 63 63 LYS CG C 23.255 0.300 1 682 63 63 LYS N N 117.033 0.300 1 683 64 64 ASP H H 7.500 0.030 1 684 64 64 ASP HA H 4.335 0.030 1 685 64 64 ASP HB2 H 2.640 0.030 2 686 64 64 ASP HB3 H 2.488 0.030 2 687 64 64 ASP C C 175.406 0.300 1 688 64 64 ASP CA C 55.000 0.300 1 689 64 64 ASP CB C 41.880 0.300 1 690 64 64 ASP N N 117.761 0.300 1 691 65 65 GLY H H 7.301 0.030 1 692 65 65 GLY HA2 H 4.003 0.030 2 693 65 65 GLY HA3 H 3.845 0.030 2 694 65 65 GLY C C 172.708 0.300 1 695 65 65 GLY CA C 44.155 0.300 1 696 65 65 GLY N N 102.426 0.300 1 697 66 66 ARG H H 7.973 0.030 1 698 66 66 ARG HA H 4.145 0.030 1 699 66 66 ARG HB2 H 1.905 0.030 2 700 66 66 ARG HB3 H 1.681 0.030 2 701 66 66 ARG HD2 H 3.316 0.030 2 702 66 66 ARG HD3 H 3.117 0.030 2 703 66 66 ARG HE H 8.714 0.030 1 704 66 66 ARG HG2 H 1.717 0.030 2 705 66 66 ARG HG3 H 1.608 0.030 2 706 66 66 ARG C C 174.556 0.300 1 707 66 66 ARG CA C 56.436 0.300 1 708 66 66 ARG CB C 30.542 0.300 1 709 66 66 ARG CD C 41.593 0.300 1 710 66 66 ARG CG C 25.274 0.300 1 711 66 66 ARG N N 118.995 0.300 1 712 66 66 ARG NE N 86.279 0.300 1 713 67 67 ILE H H 8.378 0.030 1 714 67 67 ILE HA H 3.822 0.030 1 715 67 67 ILE HB H 1.404 0.030 1 716 67 67 ILE HD1 H 0.727 0.030 1 717 67 67 ILE HG12 H 1.664 0.030 2 718 67 67 ILE HG13 H 0.868 0.030 2 719 67 67 ILE HG2 H 0.792 0.030 1 720 67 67 ILE C C 171.707 0.300 1 721 67 67 ILE CA C 59.312 0.300 1 722 67 67 ILE CB C 36.252 0.300 1 723 67 67 ILE CD1 C 12.590 0.300 1 724 67 67 ILE CG1 C 27.064 0.300 1 725 67 67 ILE CG2 C 16.435 0.300 1 726 67 67 ILE N N 119.065 0.300 1 727 68 68 ARG H H 9.019 0.030 1 728 68 68 ARG HA H 4.429 0.030 1 729 68 68 ARG HB2 H 1.701 0.030 2 730 68 68 ARG HB3 H 1.646 0.030 2 731 68 68 ARG HD2 H 3.075 0.030 2 732 68 68 ARG HD3 H 2.982 0.030 2 733 68 68 ARG HE H 7.104 0.030 1 734 68 68 ARG HG2 H 1.512 0.030 1 735 68 68 ARG HG3 H 1.512 0.030 1 736 68 68 ARG C C 173.344 0.300 1 737 68 68 ARG CA C 51.699 0.300 1 738 68 68 ARG CB C 31.301 0.300 1 739 68 68 ARG CD C 41.612 0.300 1 740 68 68 ARG CG C 24.344 0.300 1 741 68 68 ARG N N 126.383 0.300 1 742 68 68 ARG NE N 84.929 0.300 1 743 69 69 GLU H H 8.726 0.030 1 744 69 69 GLU HA H 3.505 0.030 1 745 69 69 GLU HB2 H 1.822 0.030 2 746 69 69 GLU HB3 H 1.776 0.030 2 747 69 69 GLU HG2 H 2.106 0.030 1 748 69 69 GLU HG3 H 2.106 0.030 1 749 69 69 GLU C C 175.627 0.300 1 750 69 69 GLU CA C 56.572 0.300 1 751 69 69 GLU CB C 26.390 0.300 1 752 69 69 GLU CG C 34.489 0.300 1 753 69 69 GLU N N 120.516 0.300 1 754 70 70 GLY H H 9.155 0.030 1 755 70 70 GLY HA2 H 4.397 0.030 2 756 70 70 GLY HA3 H 3.517 0.030 2 757 70 70 GLY C C 171.964 0.300 1 758 70 70 GLY CA C 42.629 0.300 1 759 70 70 GLY N N 113.652 0.300 1 760 71 71 ASP H H 7.816 0.030 1 761 71 71 ASP HA H 4.640 0.030 1 762 71 71 ASP HB2 H 2.717 0.030 2 763 71 71 ASP HB3 H 2.360 0.030 2 764 71 71 ASP C C 172.582 0.300 1 765 71 71 ASP CA C 53.605 0.300 1 766 71 71 ASP CB C 39.184 0.300 1 767 71 71 ASP N N 121.619 0.300 1 768 72 72 ARG H H 8.638 0.030 1 769 72 72 ARG HA H 4.541 0.030 1 770 72 72 ARG HB2 H 1.705 0.030 2 771 72 72 ARG HB3 H 1.485 0.030 2 772 72 72 ARG HD2 H 2.943 0.030 2 773 72 72 ARG HD3 H 2.665 0.030 2 774 72 72 ARG HE H 7.330 0.030 1 775 72 72 ARG HG2 H 0.976 0.030 2 776 72 72 ARG HG3 H 0.844 0.030 2 777 72 72 ARG C C 173.945 0.300 1 778 72 72 ARG CA C 52.151 0.300 1 779 72 72 ARG CB C 30.744 0.300 1 780 72 72 ARG CD C 41.684 0.300 1 781 72 72 ARG CG C 24.961 0.300 1 782 72 72 ARG N N 120.829 0.300 1 783 72 72 ARG NE N 83.771 0.300 1 784 73 73 ILE H H 8.548 0.030 1 785 73 73 ILE HA H 4.068 0.030 1 786 73 73 ILE HB H 1.448 0.030 1 787 73 73 ILE HD1 H 0.568 0.030 1 788 73 73 ILE HG12 H 1.389 0.030 2 789 73 73 ILE HG13 H 0.711 0.030 2 790 73 73 ILE HG2 H 0.617 0.030 1 791 73 73 ILE C C 172.061 0.300 1 792 73 73 ILE CA C 58.873 0.300 1 793 73 73 ILE CB C 36.504 0.300 1 794 73 73 ILE CD1 C 11.357 0.300 1 795 73 73 ILE CG1 C 25.104 0.300 1 796 73 73 ILE CG2 C 15.894 0.300 1 797 73 73 ILE N N 123.935 0.300 1 798 74 74 ILE H H 8.973 0.030 1 799 74 74 ILE HA H 4.257 0.030 1 800 74 74 ILE HB H 1.659 0.030 1 801 74 74 ILE HD1 H 0.548 0.030 1 802 74 74 ILE HG12 H 1.162 0.030 1 803 74 74 ILE HG13 H 1.162 0.030 1 804 74 74 ILE HG2 H 0.852 0.030 1 805 74 74 ILE C C 174.928 0.300 1 806 74 74 ILE CA C 58.545 0.300 1 807 74 74 ILE CB C 35.475 0.300 1 808 74 74 ILE CD1 C 8.186 0.300 1 809 74 74 ILE CG1 C 24.776 0.300 1 810 74 74 ILE CG2 C 15.396 0.300 1 811 74 74 ILE N N 125.674 0.300 1 812 75 75 GLN H H 7.569 0.030 1 813 75 75 GLN HA H 5.266 0.030 1 814 75 75 GLN HB2 H 1.807 0.030 2 815 75 75 GLN HB3 H 1.647 0.030 2 816 75 75 GLN HE21 H 7.269 0.030 2 817 75 75 GLN HE22 H 6.573 0.030 2 818 75 75 GLN HG2 H 2.061 0.030 2 819 75 75 GLN HG3 H 1.930 0.030 2 820 75 75 GLN C C 172.695 0.300 1 821 75 75 GLN CA C 51.924 0.300 1 822 75 75 GLN CB C 32.032 0.300 1 823 75 75 GLN CG C 31.581 0.300 1 824 75 75 GLN N N 114.910 0.300 1 825 75 75 GLN NE2 N 109.183 0.300 1 826 76 76 ILE H H 8.299 0.030 1 827 76 76 ILE HA H 4.499 0.030 1 828 76 76 ILE HB H 1.608 0.030 1 829 76 76 ILE HD1 H 0.818 0.030 1 830 76 76 ILE HG12 H 1.428 0.030 2 831 76 76 ILE HG13 H 0.808 0.030 2 832 76 76 ILE HG2 H 0.806 0.030 1 833 76 76 ILE C C 172.538 0.300 1 834 76 76 ILE CA C 58.343 0.300 1 835 76 76 ILE CB C 38.221 0.300 1 836 76 76 ILE CD1 C 12.511 0.300 1 837 76 76 ILE CG1 C 25.152 0.300 1 838 76 76 ILE CG2 C 14.767 0.300 1 839 76 76 ILE N N 118.860 0.300 1 840 77 77 ASN H H 9.840 0.030 1 841 77 77 ASN HA H 4.408 0.030 1 842 77 77 ASN HB2 H 2.974 0.030 2 843 77 77 ASN HB3 H 2.865 0.030 2 844 77 77 ASN HD21 H 7.600 0.030 2 845 77 77 ASN HD22 H 6.053 0.030 2 846 77 77 ASN C C 173.276 0.300 1 847 77 77 ASN CA C 51.677 0.300 1 848 77 77 ASN CB C 33.797 0.300 1 849 77 77 ASN N N 126.119 0.300 1 850 77 77 ASN ND2 N 108.855 0.300 1 851 78 78 GLY H H 8.912 0.030 1 852 78 78 GLY HA2 H 3.976 0.030 2 853 78 78 GLY HA3 H 3.567 0.030 2 854 78 78 GLY C C 171.344 0.300 1 855 78 78 GLY CA C 42.895 0.300 1 856 78 78 GLY N N 102.642 0.300 1 857 79 79 ILE H H 7.937 0.030 1 858 79 79 ILE HA H 4.052 0.030 1 859 79 79 ILE HB H 2.095 0.030 1 860 79 79 ILE HD1 H 0.791 0.030 1 861 79 79 ILE HG12 H 1.421 0.030 2 862 79 79 ILE HG13 H 1.088 0.030 2 863 79 79 ILE HG2 H 0.757 0.030 1 864 79 79 ILE C C 173.946 0.300 1 865 79 79 ILE CA C 57.465 0.300 1 866 79 79 ILE CB C 35.916 0.300 1 867 79 79 ILE CD1 C 9.978 0.300 1 868 79 79 ILE CG1 C 24.804 0.300 1 869 79 79 ILE CG2 C 14.975 0.300 1 870 79 79 ILE N N 121.927 0.300 1 871 80 80 GLU H H 8.749 0.030 1 872 80 80 GLU HA H 4.450 0.030 1 873 80 80 GLU HB2 H 1.989 0.030 2 874 80 80 GLU HB3 H 1.910 0.030 2 875 80 80 GLU HG2 H 2.261 0.030 2 876 80 80 GLU HG3 H 2.085 0.030 2 877 80 80 GLU C C 173.636 0.300 1 878 80 80 GLU CA C 53.923 0.300 1 879 80 80 GLU CB C 26.642 0.300 1 880 80 80 GLU CG C 34.347 0.300 1 881 80 80 GLU N N 127.898 0.300 1 882 81 81 VAL H H 7.317 0.030 1 883 81 81 VAL HA H 4.061 0.030 1 884 81 81 VAL HB H 1.869 0.030 1 885 81 81 VAL HG1 H 0.819 0.030 1 886 81 81 VAL HG2 H 0.754 0.030 1 887 81 81 VAL C C 173.643 0.300 1 888 81 81 VAL CA C 59.463 0.300 1 889 81 81 VAL CB C 30.149 0.300 1 890 81 81 VAL CG1 C 20.704 0.300 2 891 81 81 VAL CG2 C 17.648 0.300 2 892 81 81 VAL N N 121.390 0.300 1 893 82 82 GLN H H 9.265 0.030 1 894 82 82 GLN HA H 4.387 0.030 1 895 82 82 GLN HB2 H 2.185 0.030 2 896 82 82 GLN HB3 H 1.909 0.030 2 897 82 82 GLN HE21 H 7.444 0.030 2 898 82 82 GLN HE22 H 6.806 0.030 2 899 82 82 GLN HG2 H 2.368 0.030 1 900 82 82 GLN HG3 H 2.368 0.030 1 901 82 82 GLN C C 173.064 0.300 1 902 82 82 GLN CA C 53.847 0.300 1 903 82 82 GLN CB C 28.793 0.300 1 904 82 82 GLN CG C 31.672 0.300 1 905 82 82 GLN N N 121.581 0.300 1 906 82 82 GLN NE2 N 112.500 0.300 1 907 83 83 ASN H H 7.527 0.030 1 908 83 83 ASN HA H 4.734 0.030 1 909 83 83 ASN HB2 H 2.975 0.030 2 910 83 83 ASN HB3 H 2.900 0.030 2 911 83 83 ASN HD21 H 7.610 0.030 2 912 83 83 ASN HD22 H 6.864 0.030 2 913 83 83 ASN C C 172.232 0.300 1 914 83 83 ASN CA C 50.062 0.300 1 915 83 83 ASN CB C 38.029 0.300 1 916 83 83 ASN N N 112.339 0.300 1 917 83 83 ASN ND2 N 114.395 0.300 1 918 84 84 ARG H H 8.489 0.030 1 919 84 84 ARG HA H 3.514 0.030 1 920 84 84 ARG HB2 H 1.526 0.030 2 921 84 84 ARG HB3 H 1.169 0.030 2 922 84 84 ARG HD2 H 2.951 0.030 2 923 84 84 ARG HD3 H 2.832 0.030 2 924 84 84 ARG HE H 7.048 0.030 1 925 84 84 ARG HG2 H 1.337 0.030 2 926 84 84 ARG HG3 H 1.126 0.030 2 927 84 84 ARG C C 174.133 0.300 1 928 84 84 ARG CA C 57.495 0.300 1 929 84 84 ARG CB C 28.224 0.300 1 930 84 84 ARG CD C 40.874 0.300 1 931 84 84 ARG CG C 25.126 0.300 1 932 84 84 ARG N N 120.769 0.300 1 933 84 84 ARG NE N 82.945 0.300 1 934 85 85 GLU H H 8.622 0.030 1 935 85 85 GLU HA H 3.787 0.030 1 936 85 85 GLU HB2 H 2.101 0.030 2 937 85 85 GLU HB3 H 1.897 0.030 2 938 85 85 GLU HG2 H 2.417 0.030 2 939 85 85 GLU HG3 H 2.194 0.030 2 940 85 85 GLU C C 177.456 0.300 1 941 85 85 GLU CA C 58.692 0.300 1 942 85 85 GLU CB C 25.991 0.300 1 943 85 85 GLU CG C 35.424 0.300 1 944 85 85 GLU N N 119.128 0.300 1 945 86 86 GLU H H 8.370 0.030 1 946 86 86 GLU HA H 4.029 0.030 1 947 86 86 GLU HB2 H 2.013 0.030 1 948 86 86 GLU HB3 H 2.013 0.030 1 949 86 86 GLU HG2 H 2.362 0.030 2 950 86 86 GLU HG3 H 2.141 0.030 2 951 86 86 GLU C C 176.377 0.300 1 952 86 86 GLU CA C 56.542 0.300 1 953 86 86 GLU CB C 27.755 0.300 1 954 86 86 GLU CG C 33.776 0.300 1 955 86 86 GLU N N 120.574 0.300 1 956 87 87 ALA H H 7.401 0.030 1 957 87 87 ALA HA H 3.914 0.030 1 958 87 87 ALA HB H 1.326 0.030 1 959 87 87 ALA C C 176.147 0.300 1 960 87 87 ALA CA C 53.091 0.300 1 961 87 87 ALA CB C 16.030 0.300 1 962 87 87 ALA N N 119.530 0.300 1 963 88 88 VAL H H 8.454 0.030 1 964 88 88 VAL HA H 3.403 0.030 1 965 88 88 VAL HB H 1.981 0.030 1 966 88 88 VAL HG1 H 0.958 0.030 1 967 88 88 VAL HG2 H 0.859 0.030 1 968 88 88 VAL C C 176.957 0.300 1 969 88 88 VAL CA C 64.550 0.300 1 970 88 88 VAL CB C 29.659 0.300 1 971 88 88 VAL CG1 C 20.916 0.300 2 972 88 88 VAL CG2 C 18.975 0.300 2 973 88 88 VAL N N 116.454 0.300 1 974 89 89 ALA H H 7.943 0.030 1 975 89 89 ALA HA H 3.967 0.030 1 976 89 89 ALA HB H 1.448 0.030 1 977 89 89 ALA C C 178.209 0.300 1 978 89 89 ALA CA C 53.060 0.300 1 979 89 89 ALA CB C 15.604 0.300 1 980 89 89 ALA N N 123.054 0.300 1 981 90 90 LEU H H 7.618 0.030 1 982 90 90 LEU HA H 4.130 0.030 1 983 90 90 LEU HB2 H 1.983 0.030 2 984 90 90 LEU HB3 H 1.344 0.030 2 985 90 90 LEU HD1 H 0.878 0.030 1 986 90 90 LEU HD2 H 0.837 0.030 1 987 90 90 LEU HG H 1.875 0.030 1 988 90 90 LEU C C 177.508 0.300 1 989 90 90 LEU CA C 55.588 0.300 1 990 90 90 LEU CB C 40.892 0.300 1 991 90 90 LEU CD1 C 20.861 0.300 2 992 90 90 LEU CD2 C 24.040 0.300 2 993 90 90 LEU CG C 24.963 0.300 1 994 90 90 LEU N N 117.038 0.300 1 995 91 91 LEU H H 8.072 0.030 1 996 91 91 LEU HA H 4.063 0.030 1 997 91 91 LEU HB2 H 1.796 0.030 2 998 91 91 LEU HB3 H 1.403 0.030 2 999 91 91 LEU HD1 H 0.529 0.030 1 1000 91 91 LEU HD2 H 0.527 0.030 1 1001 91 91 LEU HG H 1.887 0.030 1 1002 91 91 LEU C C 175.627 0.300 1 1003 91 91 LEU CA C 54.392 0.300 1 1004 91 91 LEU CB C 39.584 0.300 1 1005 91 91 LEU CD1 C 20.353 0.300 2 1006 91 91 LEU CD2 C 23.270 0.300 2 1007 91 91 LEU CG C 24.204 0.300 1 1008 91 91 LEU N N 115.433 0.300 1 1009 92 92 THR H H 7.695 0.030 1 1010 92 92 THR HA H 4.408 0.030 1 1011 92 92 THR HB H 4.408 0.030 1 1012 92 92 THR HG2 H 1.236 0.030 1 1013 92 92 THR C C 172.477 0.300 1 1014 92 92 THR CA C 59.176 0.300 1 1015 92 92 THR CB C 67.895 0.300 1 1016 92 92 THR CG2 C 19.086 0.300 1 1017 92 92 THR N N 106.533 0.300 1 1018 93 93 SER H H 7.076 0.030 1 1019 93 93 SER HA H 4.353 0.030 1 1020 93 93 SER HB2 H 4.199 0.030 2 1021 93 93 SER HB3 H 3.920 0.030 2 1022 93 93 SER C C 174.116 0.300 1 1023 93 93 SER CA C 56.436 0.300 1 1024 93 93 SER CB C 61.681 0.300 1 1025 93 93 SER N N 116.116 0.300 1 1026 94 94 GLU H H 9.060 0.030 1 1027 94 94 GLU HA H 4.271 0.030 1 1028 94 94 GLU HB2 H 2.137 0.030 2 1029 94 94 GLU HB3 H 1.929 0.030 2 1030 94 94 GLU HG2 H 2.359 0.030 2 1031 94 94 GLU HG3 H 2.280 0.030 2 1032 94 94 GLU C C 174.688 0.300 1 1033 94 94 GLU CA C 55.346 0.300 1 1034 94 94 GLU CB C 27.699 0.300 1 1035 94 94 GLU CG C 34.139 0.300 1 1036 94 94 GLU N N 127.068 0.300 1 1037 95 95 GLU H H 8.201 0.030 1 1038 95 95 GLU HA H 4.111 0.030 1 1039 95 95 GLU HB2 H 1.971 0.030 2 1040 95 95 GLU HB3 H 1.815 0.030 2 1041 95 95 GLU HG2 H 2.176 0.030 1 1042 95 95 GLU HG3 H 2.176 0.030 1 1043 95 95 GLU C C 174.203 0.300 1 1044 95 95 GLU CA C 55.165 0.300 1 1045 95 95 GLU CB C 28.104 0.300 1 1046 95 95 GLU CG C 33.921 0.300 1 1047 95 95 GLU N N 117.099 0.300 1 1048 96 96 ASN H H 7.487 0.030 1 1049 96 96 ASN HA H 4.562 0.030 1 1050 96 96 ASN HB2 H 2.468 0.030 2 1051 96 96 ASN HB3 H 2.215 0.030 2 1052 96 96 ASN HD21 H 7.006 0.030 2 1053 96 96 ASN HD22 H 6.545 0.030 2 1054 96 96 ASN C C 171.980 0.300 1 1055 96 96 ASN CA C 50.946 0.300 1 1056 96 96 ASN CB C 37.189 0.300 1 1057 96 96 ASN N N 116.592 0.300 1 1058 96 96 ASN ND2 N 111.784 0.300 1 1059 97 97 LYS H H 8.425 0.030 1 1060 97 97 LYS HA H 4.318 0.030 1 1061 97 97 LYS HB2 H 1.921 0.030 2 1062 97 97 LYS HB3 H 1.567 0.030 2 1063 97 97 LYS HD2 H 1.587 0.030 1 1064 97 97 LYS HD3 H 1.587 0.030 1 1065 97 97 LYS HE2 H 2.905 0.030 1 1066 97 97 LYS HE3 H 2.905 0.030 1 1067 97 97 LYS HG2 H 1.379 0.030 2 1068 97 97 LYS HG3 H 1.242 0.030 2 1069 97 97 LYS C C 172.367 0.300 1 1070 97 97 LYS CA C 54.653 0.300 1 1071 97 97 LYS CB C 31.793 0.300 1 1072 97 97 LYS CD C 26.666 0.300 1 1073 97 97 LYS CE C 39.943 0.300 1 1074 97 97 LYS CG C 22.919 0.300 1 1075 97 97 LYS N N 121.003 0.300 1 1076 98 98 ASN H H 7.473 0.030 1 1077 98 98 ASN HA H 5.056 0.030 1 1078 98 98 ASN HB2 H 2.582 0.030 2 1079 98 98 ASN HB3 H 2.478 0.030 2 1080 98 98 ASN HD21 H 7.429 0.030 2 1081 98 98 ASN HD22 H 6.756 0.030 2 1082 98 98 ASN C C 171.290 0.300 1 1083 98 98 ASN CA C 50.213 0.300 1 1084 98 98 ASN CB C 38.127 0.300 1 1085 98 98 ASN N N 115.553 0.300 1 1086 98 98 ASN ND2 N 112.522 0.300 1 1087 99 99 PHE H H 8.713 0.030 1 1088 99 99 PHE HA H 4.944 0.030 1 1089 99 99 PHE HB2 H 2.699 0.030 2 1090 99 99 PHE HB3 H 2.496 0.030 2 1091 99 99 PHE HD1 H 6.808 0.030 1 1092 99 99 PHE HD2 H 6.808 0.030 1 1093 99 99 PHE HE1 H 7.199 0.030 1 1094 99 99 PHE HE2 H 7.199 0.030 1 1095 99 99 PHE HZ H 7.314 0.030 1 1096 99 99 PHE C C 172.218 0.300 1 1097 99 99 PHE CA C 54.438 0.300 1 1098 99 99 PHE CB C 40.049 0.300 1 1099 99 99 PHE CD1 C 129.176 0.300 1 1100 99 99 PHE CD2 C 129.176 0.300 1 1101 99 99 PHE CE1 C 129.176 0.300 1 1102 99 99 PHE CE2 C 129.176 0.300 1 1103 99 99 PHE CZ C 128.786 0.300 1 1104 99 99 PHE N N 120.683 0.300 1 1105 100 100 SER H H 8.819 0.030 1 1106 100 100 SER HA H 5.123 0.030 1 1107 100 100 SER HB2 H 3.725 0.030 2 1108 100 100 SER HB3 H 3.643 0.030 2 1109 100 100 SER C C 171.882 0.300 1 1110 100 100 SER CA C 54.498 0.300 1 1111 100 100 SER CB C 61.457 0.300 1 1112 100 100 SER N N 118.562 0.300 1 1113 101 101 LEU H H 9.295 0.030 1 1114 101 101 LEU HA H 5.044 0.030 1 1115 101 101 LEU HB2 H 1.747 0.030 2 1116 101 101 LEU HB3 H 1.272 0.030 2 1117 101 101 LEU HD1 H 0.712 0.030 1 1118 101 101 LEU HD2 H 0.672 0.030 1 1119 101 101 LEU HG H 1.643 0.030 1 1120 101 101 LEU C C 172.304 0.300 1 1121 101 101 LEU CA C 51.879 0.300 1 1122 101 101 LEU CB C 41.739 0.300 1 1123 101 101 LEU CD1 C 23.820 0.300 2 1124 101 101 LEU CD2 C 23.408 0.300 2 1125 101 101 LEU CG C 26.230 0.300 1 1126 101 101 LEU N N 128.485 0.300 1 1127 102 102 LEU H H 8.469 0.030 1 1128 102 102 LEU HA H 5.035 0.030 1 1129 102 102 LEU HB2 H 1.626 0.030 2 1130 102 102 LEU HB3 H 1.290 0.030 2 1131 102 102 LEU HD1 H 0.697 0.030 1 1132 102 102 LEU HD2 H 0.749 0.030 1 1133 102 102 LEU HG H 1.254 0.030 1 1134 102 102 LEU C C 173.050 0.300 1 1135 102 102 LEU CA C 51.894 0.300 1 1136 102 102 LEU CB C 41.717 0.300 1 1137 102 102 LEU CD1 C 23.038 0.300 2 1138 102 102 LEU CD2 C 21.006 0.300 2 1139 102 102 LEU CG C 24.959 0.300 1 1140 102 102 LEU N N 125.137 0.300 1 1141 103 103 ILE H H 8.992 0.030 1 1142 103 103 ILE HA H 5.274 0.030 1 1143 103 103 ILE HB H 1.837 0.030 1 1144 103 103 ILE HD1 H 0.642 0.030 1 1145 103 103 ILE HG12 H 1.295 0.030 2 1146 103 103 ILE HG13 H 1.128 0.030 2 1147 103 103 ILE HG2 H 0.729 0.030 1 1148 103 103 ILE C C 171.710 0.300 1 1149 103 103 ILE CA C 55.694 0.300 1 1150 103 103 ILE CB C 39.156 0.300 1 1151 103 103 ILE CD1 C 11.576 0.300 1 1152 103 103 ILE CG1 C 24.199 0.300 1 1153 103 103 ILE CG2 C 16.218 0.300 1 1154 103 103 ILE N N 123.984 0.300 1 1155 104 104 ALA H H 8.901 0.030 1 1156 104 104 ALA HA H 5.304 0.030 1 1157 104 104 ALA HB H 1.169 0.030 1 1158 104 104 ALA C C 174.074 0.300 1 1159 104 104 ALA CA C 47.655 0.300 1 1160 104 104 ALA CB C 21.097 0.300 1 1161 104 104 ALA N N 122.875 0.300 1 1162 105 105 ARG H H 8.697 0.030 1 1163 105 105 ARG HA H 4.974 0.030 1 1164 105 105 ARG HB2 H 1.954 0.030 2 1165 105 105 ARG HB3 H 1.640 0.030 2 1166 105 105 ARG HD2 H 3.105 0.030 2 1167 105 105 ARG HD3 H 2.989 0.030 2 1168 105 105 ARG HE H 8.653 0.030 1 1169 105 105 ARG HG2 H 1.475 0.030 1 1170 105 105 ARG HG3 H 1.475 0.030 1 1171 105 105 ARG C C 171.022 0.300 1 1172 105 105 ARG CA C 51.090 0.300 1 1173 105 105 ARG CB C 29.154 0.300 1 1174 105 105 ARG CD C 41.017 0.300 1 1175 105 105 ARG CG C 24.329 0.300 1 1176 105 105 ARG N N 121.569 0.300 1 1177 105 105 ARG NE N 84.945 0.300 1 1178 106 106 PRO HA H 4.497 0.030 1 1179 106 106 PRO HB2 H 2.277 0.030 2 1180 106 106 PRO HB3 H 1.827 0.030 2 1181 106 106 PRO HD2 H 3.897 0.030 2 1182 106 106 PRO HD3 H 3.698 0.030 2 1183 106 106 PRO HG2 H 2.052 0.030 2 1184 106 106 PRO HG3 H 1.946 0.030 2 1185 106 106 PRO C C 174.352 0.300 1 1186 106 106 PRO CA C 60.764 0.300 1 1187 106 106 PRO CB C 29.864 0.300 1 1188 106 106 PRO CD C 48.569 0.300 1 1189 106 106 PRO CG C 25.358 0.300 1 1190 107 107 GLU H H 8.410 0.030 1 1191 107 107 GLU HA H 4.167 0.030 1 1192 107 107 GLU HB2 H 1.891 0.030 2 1193 107 107 GLU HB3 H 1.811 0.030 2 1194 107 107 GLU HG2 H 2.200 0.030 2 1195 107 107 GLU HG3 H 2.166 0.030 2 1196 107 107 GLU C C 173.855 0.300 1 1197 107 107 GLU CA C 54.080 0.300 1 1198 107 107 GLU CB C 27.873 0.300 1 1199 107 107 GLU CG C 33.671 0.300 1 1200 107 107 GLU N N 121.582 0.300 1 1201 108 108 LEU H H 8.234 0.030 1 1202 108 108 LEU HA H 4.269 0.030 1 1203 108 108 LEU HB2 H 1.518 0.030 2 1204 108 108 LEU HB3 H 1.453 0.030 2 1205 108 108 LEU HD1 H 0.824 0.030 1 1206 108 108 LEU HD2 H 0.778 0.030 1 1207 108 108 LEU HG H 1.488 0.030 1 1208 108 108 LEU C C 174.507 0.300 1 1209 108 108 LEU CA C 52.636 0.300 1 1210 108 108 LEU CB C 40.332 0.300 1 1211 108 108 LEU CD1 C 22.448 0.300 2 1212 108 108 LEU CD2 C 21.553 0.300 2 1213 108 108 LEU CG C 24.716 0.300 1 1214 108 108 LEU N N 124.553 0.300 1 1215 109 109 GLN H H 8.434 0.030 1 1216 109 109 GLN HA H 4.271 0.030 1 1217 109 109 GLN HB2 H 1.993 0.030 2 1218 109 109 GLN HB3 H 1.872 0.030 2 1219 109 109 GLN HE21 H 7.484 0.030 2 1220 109 109 GLN HE22 H 6.774 0.030 2 1221 109 109 GLN HG2 H 2.253 0.030 1 1222 109 109 GLN HG3 H 2.253 0.030 1 1223 109 109 GLN C C 173.340 0.300 1 1224 109 109 GLN CA C 52.954 0.300 1 1225 109 109 GLN CB C 27.043 0.300 1 1226 109 109 GLN CG C 31.462 0.300 1 1227 109 109 GLN N N 122.515 0.300 1 1228 109 109 GLN NE2 N 112.173 0.300 1 1229 110 110 LEU H H 8.273 0.030 1 1230 110 110 LEU HA H 4.249 0.030 1 1231 110 110 LEU HB2 H 1.517 0.030 2 1232 110 110 LEU HB3 H 1.459 0.030 2 1233 110 110 LEU HD1 H 0.769 0.030 1 1234 110 110 LEU HD2 H 0.718 0.030 1 1235 110 110 LEU HG H 1.487 0.030 1 1236 110 110 LEU C C 174.593 0.300 1 1237 110 110 LEU CA C 52.742 0.300 1 1238 110 110 LEU CB C 40.305 0.300 1 1239 110 110 LEU CD1 C 22.530 0.300 2 1240 110 110 LEU CD2 C 21.135 0.300 2 1241 110 110 LEU CG C 24.553 0.300 1 1242 110 110 LEU N N 124.227 0.300 1 1243 111 111 ASP H H 8.287 0.030 1 1244 111 111 ASP HA H 4.528 0.030 1 1245 111 111 ASP HB2 H 2.632 0.030 2 1246 111 111 ASP HB3 H 2.535 0.030 2 1247 111 111 ASP C C 173.931 0.300 1 1248 111 111 ASP CA C 51.984 0.300 1 1249 111 111 ASP CB C 38.995 0.300 1 1250 111 111 ASP N N 121.276 0.300 1 1251 112 112 GLU H H 8.340 0.030 1 1252 112 112 GLU HA H 4.175 0.030 1 1253 112 112 GLU HB2 H 1.976 0.030 2 1254 112 112 GLU HB3 H 1.799 0.030 2 1255 112 112 GLU HG2 H 2.168 0.030 1 1256 112 112 GLU HG3 H 2.168 0.030 1 1257 112 112 GLU C C 174.835 0.300 1 1258 112 112 GLU CA C 54.628 0.300 1 1259 112 112 GLU CB C 27.852 0.300 1 1260 112 112 GLU CG C 33.994 0.300 1 1261 112 112 GLU N N 121.384 0.300 1 1262 113 113 GLY H H 8.434 0.030 1 1263 113 113 GLY HA2 H 3.830 0.030 2 1264 113 113 GLY HA3 H 3.819 0.030 2 1265 113 113 GLY C C 171.820 0.300 1 1266 113 113 GLY CA C 43.279 0.300 1 1267 113 113 GLY N N 109.295 0.300 1 1268 114 114 TRP H H 7.813 0.030 1 1269 114 114 TRP HA H 4.509 0.030 1 1270 114 114 TRP HB2 H 3.205 0.030 1 1271 114 114 TRP HB3 H 3.205 0.030 1 1272 114 114 TRP HD1 H 7.191 0.030 1 1273 114 114 TRP HE1 H 10.083 0.030 1 1274 114 114 TRP HE3 H 7.506 0.030 1 1275 114 114 TRP HH2 H 7.133 0.030 1 1276 114 114 TRP HZ2 H 7.410 0.030 1 1277 114 114 TRP HZ3 H 7.053 0.030 1 1278 114 114 TRP C C 173.869 0.300 1 1279 114 114 TRP CA C 55.210 0.300 1 1280 114 114 TRP CB C 27.075 0.300 1 1281 114 114 TRP CD1 C 125.137 0.300 1 1282 114 114 TRP CE3 C 118.617 0.300 1 1283 114 114 TRP CH2 C 122.337 0.300 1 1284 114 114 TRP CZ2 C 112.310 0.300 1 1285 114 114 TRP CZ3 C 119.715 0.300 1 1286 114 114 TRP N N 120.408 0.300 1 1287 114 114 TRP NE1 N 129.345 0.300 1 1288 115 115 MET H H 7.847 0.030 1 1289 115 115 MET HA H 4.208 0.030 1 1290 115 115 MET HB2 H 1.804 0.030 2 1291 115 115 MET HB3 H 1.688 0.030 2 1292 115 115 MET HE H 1.936 0.030 1 1293 115 115 MET HG2 H 2.158 0.030 2 1294 115 115 MET HG3 H 2.134 0.030 2 1295 115 115 MET C C 172.960 0.300 1 1296 115 115 MET CA C 53.014 0.300 1 1297 115 115 MET CB C 30.904 0.300 1 1298 115 115 MET CE C 14.638 0.300 1 1299 115 115 MET CG C 29.377 0.300 1 1300 115 115 MET N N 122.012 0.300 1 1301 116 116 ASP H H 7.971 0.030 1 1302 116 116 ASP HA H 4.406 0.030 1 1303 116 116 ASP HB2 H 2.618 0.030 2 1304 116 116 ASP HB3 H 2.459 0.030 2 1305 116 116 ASP C C 173.571 0.300 1 1306 116 116 ASP CA C 51.923 0.300 1 1307 116 116 ASP CB C 38.933 0.300 1 1308 116 116 ASP N N 121.105 0.300 1 1309 117 117 ASP H H 8.160 0.030 1 1310 117 117 ASP HA H 4.534 0.030 1 1311 117 117 ASP HB2 H 2.581 0.030 1 1312 117 117 ASP HB3 H 2.581 0.030 1 1313 117 117 ASP C C 173.814 0.300 1 1314 117 117 ASP CA C 51.988 0.300 1 1315 117 117 ASP CB C 38.815 0.300 1 1316 117 117 ASP N N 120.696 0.300 1 1317 118 118 ASP H H 8.280 0.030 1 1318 118 118 ASP HA H 4.577 0.030 1 1319 118 118 ASP HB2 H 2.620 0.030 1 1320 118 118 ASP HB3 H 2.620 0.030 1 1321 118 118 ASP C C 174.142 0.300 1 1322 118 118 ASP CA C 52.091 0.300 1 1323 118 118 ASP CB C 38.828 0.300 1 1324 118 118 ASP N N 120.906 0.300 1 1325 119 119 SER H H 8.186 0.030 1 1326 119 119 SER HA H 4.353 0.030 1 1327 119 119 SER HB2 H 3.854 0.030 2 1328 119 119 SER HB3 H 3.806 0.030 2 1329 119 119 SER C C 172.633 0.300 1 1330 119 119 SER CA C 56.557 0.300 1 1331 119 119 SER CB C 61.617 0.300 1 1332 119 119 SER N N 115.781 0.300 1 1333 120 120 GLY H H 8.169 0.030 1 1334 120 120 GLY HA2 H 4.026 0.030 2 1335 120 120 GLY HA3 H 3.996 0.030 2 1336 120 120 GLY C C 169.597 0.300 1 1337 120 120 GLY CA C 42.444 0.300 1 1338 120 120 GLY N N 110.325 0.300 1 1339 121 121 PRO HA H 4.389 0.030 1 1340 121 121 PRO HB2 H 2.211 0.030 1 1341 121 121 PRO HB3 H 2.211 0.030 1 1342 121 121 PRO HD2 H 3.524 0.030 1 1343 121 121 PRO HD3 H 3.524 0.030 1 1344 121 121 PRO HG2 H 1.928 0.030 1 1345 121 121 PRO HG3 H 1.928 0.030 1 1346 121 121 PRO C C 175.159 0.300 1 1347 121 121 PRO CA C 60.902 0.300 1 1348 121 121 PRO CB C 29.810 0.300 1 1349 121 121 PRO CD C 47.493 0.300 1 1350 121 121 PRO CG C 24.852 0.300 1 1351 122 122 SER H H 8.434 0.030 1 1352 122 122 SER HA H 4.429 0.030 1 1353 122 122 SER HB2 H 3.851 0.030 1 1354 122 122 SER HB3 H 3.851 0.030 1 1355 122 122 SER C C 172.483 0.300 1 1356 122 122 SER CA C 55.997 0.300 1 1357 122 122 SER CB C 61.498 0.300 1 1358 122 122 SER N N 116.096 0.300 1 1359 123 123 SER H H 8.265 0.030 1 1360 123 123 SER HA H 4.440 0.030 1 1361 123 123 SER HB2 H 3.851 0.030 1 1362 123 123 SER HB3 H 3.851 0.030 1 1363 123 123 SER C C 171.698 0.300 1 1364 123 123 SER CA C 56.057 0.300 1 1365 123 123 SER CB C 61.750 0.300 1 1366 123 123 SER N N 117.632 0.300 1 1367 124 124 GLY H H 7.972 0.030 1 1368 124 124 GLY HA2 H 3.829 0.030 1 1369 124 124 GLY HA3 H 3.829 0.030 1 1370 124 124 GLY C C 176.725 0.300 1 1371 124 124 GLY CA C 41.186 0.300 1 1372 124 124 GLY N N 116.454 0.300 1 stop_ save_