data_10319 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PH domain of KIAA0640 protein from human ; _BMRB_accession_number 10319 _BMRB_flat_file_name bmr10319.str _Entry_type new _Submission_date 2009-03-11 _Accession_date 2009-03-11 _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 Li H. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 691 "13C chemical shifts" 508 "15N chemical shifts" 109 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-03-11 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the PH domain of KIAA0640 protein from human' _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 Li H. . . 2 Tochio N. . . 3 Koshiba S. . . 4 Inoue M. . . 5 Kigawa T. . . 6 Yokoyama S. . . stop_ _Journal_abbreviation . _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'KIAA0640 protein' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PH domain' $entity_1 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'PH domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 115 _Mol_residue_sequence ; GSSGSSGVLKQGYMMKKGHR RKNWTERWFVLKPNIISYYV SEDLKDKKGDILLDENCCVE SLPDKDGKKCLFLVKCFDKT FEISASDKKKKQEWIQAIHS TIHLLKLGSSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 VAL 9 LEU 10 LYS 11 GLN 12 GLY 13 TYR 14 MET 15 MET 16 LYS 17 LYS 18 GLY 19 HIS 20 ARG 21 ARG 22 LYS 23 ASN 24 TRP 25 THR 26 GLU 27 ARG 28 TRP 29 PHE 30 VAL 31 LEU 32 LYS 33 PRO 34 ASN 35 ILE 36 ILE 37 SER 38 TYR 39 TYR 40 VAL 41 SER 42 GLU 43 ASP 44 LEU 45 LYS 46 ASP 47 LYS 48 LYS 49 GLY 50 ASP 51 ILE 52 LEU 53 LEU 54 ASP 55 GLU 56 ASN 57 CYS 58 CYS 59 VAL 60 GLU 61 SER 62 LEU 63 PRO 64 ASP 65 LYS 66 ASP 67 GLY 68 LYS 69 LYS 70 CYS 71 LEU 72 PHE 73 LEU 74 VAL 75 LYS 76 CYS 77 PHE 78 ASP 79 LYS 80 THR 81 PHE 82 GLU 83 ILE 84 SER 85 ALA 86 SER 87 ASP 88 LYS 89 LYS 90 LYS 91 LYS 92 GLN 93 GLU 94 TRP 95 ILE 96 GLN 97 ALA 98 ILE 99 HIS 100 SER 101 THR 102 ILE 103 HIS 104 LEU 105 LEU 106 LYS 107 LEU 108 GLY 109 SER 110 SER 111 GLY 112 PRO 113 SER 114 SER 115 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 2DN6 "Solution Structure Of The Ph Domain Of Kiaa0640 Protein From Human" 100.00 115 100.00 100.00 1.73e-76 DBJ BAA31615 "KIAA0640 protein [Homo sapiens]" 91.30 603 98.10 98.10 5.24e-62 DBJ BAG09789 "switch-associated protein 70 [synthetic construct]" 91.30 585 98.10 98.10 4.17e-62 DBJ BAG53381 "unnamed protein product [Homo sapiens]" 91.30 527 98.10 98.10 4.27e-62 DBJ BAG65007 "unnamed protein product [Homo sapiens]" 91.30 516 98.10 98.10 2.74e-62 GB AAF24486 "SWAP-70 [Homo sapiens]" 91.30 585 98.10 98.10 4.17e-62 GB AAF61403 "SWAP-70 homolog [Homo sapiens]" 91.30 585 98.10 98.10 4.17e-62 GB AAH00616 "SWAP-70 protein [Homo sapiens]" 91.30 585 98.10 98.10 4.17e-62 GB AIC50910 "SWAP70, partial [synthetic construct]" 91.30 585 98.10 98.10 4.17e-62 GB EAW68582 "SWAP-70 protein, isoform CRA_a [Homo sapiens]" 91.30 585 98.10 98.10 4.17e-62 REF NP_001165885 "SWAP switching B-cell complex 70kDa subunit [Macaca mulatta]" 91.30 585 98.10 98.10 4.30e-62 REF NP_001284643 "switch-associated protein 70 isoform 2 [Homo sapiens]" 91.30 527 98.10 98.10 4.19e-62 REF NP_055870 "switch-associated protein 70 isoform 1 [Homo sapiens]" 91.30 585 98.10 98.10 4.17e-62 REF XP_002755082 "PREDICTED: switch-associated protein 70 [Callithrix jacchus]" 91.30 585 97.14 97.14 1.33e-61 REF XP_002822083 "PREDICTED: switch-associated protein 70 isoform X1 [Pongo abelii]" 91.30 585 98.10 98.10 4.30e-62 SP Q9UH65 "RecName: Full=Switch-associated protein 70; Short=SWAP-70" 91.30 585 98.10 98.10 4.17e-62 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' . . . . plasmid P050919-04 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.17 mM '[U-13C; U-15N]' d-Tris-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address Bruker . . stop_ loop_ _Task collection stop_ _Details . save_ save_software_2 _Saveframe_category software _Name NMRPipe _Version 20030801 loop_ _Vendor _Address _Electronic_address 'Delaglio, F.' . . stop_ loop_ _Task processing stop_ _Details . save_ save_software_3 _Saveframe_category software _Name NMRView _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'Johnson, B.A.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name Kujira _Version 0.932 loop_ _Vendor _Address _Electronic_address 'Kobayashi, N.' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_software_5 _Saveframe_category software _Name CYANA _Version 2.0.17 loop_ _Vendor _Address _Electronic_address 'Guntert, P.' . . stop_ loop_ _Task 'structure solution' refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model AVANCE _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_15N-separated_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-separated NOESY' _Sample_label $sample_1 save_ save_3D_13C-separated_NOESY_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 13C-separated NOESY' _Sample_label $sample_1 save_ ####################### # 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 7.0 0.05 pH pressure 1 0.001 atm temperature 296 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 H 1 'methyl protons' ppm 0.0 . indirect . . . 1.0 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D 15N-separated NOESY' '3D 13C-separated NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $condition_1 _Chem_shift_reference_set_label $reference_1 _Mol_system_component_name 'PH domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 6 6 SER HA H 4.433 0.030 1 2 6 6 SER HB2 H 3.896 0.030 2 3 6 6 SER C C 174.988 0.300 1 4 6 6 SER CA C 58.723 0.300 1 5 6 6 SER CB C 63.589 0.300 1 6 7 7 GLY H H 8.412 0.030 1 7 7 7 GLY HA2 H 3.918 0.030 2 8 7 7 GLY HA3 H 3.878 0.030 2 9 7 7 GLY C C 173.169 0.300 1 10 7 7 GLY CA C 45.392 0.300 1 11 7 7 GLY N N 110.910 0.300 1 12 8 8 VAL H H 7.760 0.030 1 13 8 8 VAL HA H 3.921 0.030 1 14 8 8 VAL HB H 1.948 0.030 1 15 8 8 VAL HG1 H 0.905 0.030 1 16 8 8 VAL HG2 H 0.868 0.030 1 17 8 8 VAL C C 176.587 0.300 1 18 8 8 VAL CA C 63.384 0.300 1 19 8 8 VAL CB C 32.803 0.300 1 20 8 8 VAL CG1 C 21.984 0.300 2 21 8 8 VAL CG2 C 21.710 0.300 2 22 8 8 VAL N N 118.872 0.300 1 23 9 9 LEU H H 9.176 0.030 1 24 9 9 LEU HA H 4.264 0.030 1 25 9 9 LEU HB2 H 1.376 0.030 2 26 9 9 LEU HB3 H 1.285 0.030 2 27 9 9 LEU HD1 H 0.727 0.030 1 28 9 9 LEU HD2 H 0.756 0.030 1 29 9 9 LEU HG H 1.599 0.030 1 30 9 9 LEU C C 177.344 0.300 1 31 9 9 LEU CA C 55.945 0.300 1 32 9 9 LEU CB C 42.586 0.300 1 33 9 9 LEU CD1 C 25.446 0.300 2 34 9 9 LEU CD2 C 22.792 0.300 2 35 9 9 LEU CG C 27.419 0.300 1 36 9 9 LEU N N 128.003 0.300 1 37 10 10 LYS H H 7.405 0.030 1 38 10 10 LYS HA H 4.112 0.030 1 39 10 10 LYS HB2 H 1.096 0.030 2 40 10 10 LYS HB3 H 0.667 0.030 2 41 10 10 LYS HD2 H -0.206 0.030 2 42 10 10 LYS HD3 H 0.647 0.030 2 43 10 10 LYS HE2 H 1.907 0.030 2 44 10 10 LYS HE3 H 1.558 0.030 2 45 10 10 LYS HG2 H 0.117 0.030 2 46 10 10 LYS HG3 H 0.828 0.030 2 47 10 10 LYS C C 172.535 0.300 1 48 10 10 LYS CA C 56.314 0.300 1 49 10 10 LYS CB C 35.393 0.300 1 50 10 10 LYS CD C 28.652 0.300 1 51 10 10 LYS CE C 40.407 0.300 1 52 10 10 LYS CG C 25.007 0.300 1 53 10 10 LYS N N 118.701 0.300 1 54 11 11 GLN H H 8.298 0.030 1 55 11 11 GLN HA H 5.813 0.030 1 56 11 11 GLN HB2 H 2.227 0.030 2 57 11 11 GLN HB3 H 1.791 0.030 2 58 11 11 GLN HE21 H 7.787 0.030 2 59 11 11 GLN HE22 H 6.896 0.030 2 60 11 11 GLN HG2 H 2.357 0.030 1 61 11 11 GLN HG3 H 2.357 0.030 1 62 11 11 GLN C C 174.893 0.300 1 63 11 11 GLN CA C 53.693 0.300 1 64 11 11 GLN CB C 31.488 0.300 1 65 11 11 GLN CG C 32.149 0.300 1 66 11 11 GLN N N 119.574 0.300 1 67 11 11 GLN NE2 N 111.955 0.300 1 68 12 12 GLY H H 7.799 0.030 1 69 12 12 GLY HA2 H 4.237 0.030 2 70 12 12 GLY HA3 H 2.871 0.030 2 71 12 12 GLY C C 171.859 0.300 1 72 12 12 GLY CA C 45.375 0.300 1 73 12 12 GLY N N 108.767 0.300 1 74 13 13 TYR H H 8.637 0.030 1 75 13 13 TYR HA H 5.716 0.030 1 76 13 13 TYR HB2 H 2.968 0.030 2 77 13 13 TYR HB3 H 3.199 0.030 2 78 13 13 TYR HD1 H 7.427 0.030 1 79 13 13 TYR HD2 H 7.427 0.030 1 80 13 13 TYR HE1 H 7.136 0.030 1 81 13 13 TYR HE2 H 7.136 0.030 1 82 13 13 TYR C C 178.044 0.300 1 83 13 13 TYR CA C 59.673 0.300 1 84 13 13 TYR CB C 39.886 0.300 1 85 13 13 TYR CD1 C 133.436 0.300 1 86 13 13 TYR CD2 C 133.436 0.300 1 87 13 13 TYR CE1 C 119.598 0.300 1 88 13 13 TYR CE2 C 119.598 0.300 1 89 13 13 TYR N N 119.460 0.300 1 90 14 14 MET H H 9.496 0.030 1 91 14 14 MET HA H 4.769 0.030 1 92 14 14 MET HB2 H 1.639 0.030 2 93 14 14 MET HB3 H 1.357 0.030 2 94 14 14 MET HE H -0.173 0.030 1 95 14 14 MET HG2 H 2.213 0.030 2 96 14 14 MET HG3 H 1.642 0.030 2 97 14 14 MET C C 174.241 0.300 1 98 14 14 MET CA C 55.592 0.300 1 99 14 14 MET CB C 38.640 0.300 1 100 14 14 MET CE C 15.711 0.300 1 101 14 14 MET CG C 33.829 0.300 1 102 14 14 MET N N 120.177 0.300 1 103 15 15 MET H H 8.447 0.030 1 104 15 15 MET HA H 5.518 0.030 1 105 15 15 MET HB2 H 2.176 0.030 2 106 15 15 MET HB3 H 2.008 0.030 2 107 15 15 MET HE H 1.996 0.030 1 108 15 15 MET HG2 H 2.396 0.030 2 109 15 15 MET HG3 H 2.717 0.030 2 110 15 15 MET C C 174.722 0.300 1 111 15 15 MET CA C 54.555 0.300 1 112 15 15 MET CB C 35.270 0.300 1 113 15 15 MET CE C 17.490 0.300 1 114 15 15 MET CG C 32.796 0.300 1 115 15 15 MET N N 117.105 0.300 1 116 16 16 LYS H H 9.214 0.030 1 117 16 16 LYS HA H 5.097 0.030 1 118 16 16 LYS HB2 H 1.623 0.030 2 119 16 16 LYS HB3 H 1.547 0.030 2 120 16 16 LYS HD2 H 0.886 0.030 2 121 16 16 LYS HD3 H 1.025 0.030 2 122 16 16 LYS HE2 H 2.504 0.030 2 123 16 16 LYS HE3 H 2.416 0.030 2 124 16 16 LYS HG2 H 1.236 0.030 2 125 16 16 LYS HG3 H 1.128 0.030 2 126 16 16 LYS C C 175.130 0.300 1 127 16 16 LYS CA C 54.291 0.300 1 128 16 16 LYS CB C 35.680 0.300 1 129 16 16 LYS CD C 28.705 0.300 1 130 16 16 LYS CE C 41.161 0.300 1 131 16 16 LYS CG C 23.665 0.300 1 132 16 16 LYS N N 121.439 0.300 1 133 17 17 LYS H H 7.969 0.030 1 134 17 17 LYS HA H 3.517 0.030 1 135 17 17 LYS HB2 H 0.968 0.030 2 136 17 17 LYS HB3 H -0.244 0.030 2 137 17 17 LYS HD2 H 1.077 0.030 2 138 17 17 LYS HD3 H 1.006 0.030 2 139 17 17 LYS HE2 H 2.501 0.030 1 140 17 17 LYS HE3 H 2.501 0.030 1 141 17 17 LYS HG2 H -0.083 0.030 2 142 17 17 LYS HG3 H 0.737 0.030 2 143 17 17 LYS C C 177.226 0.300 1 144 17 17 LYS CA C 56.145 0.300 1 145 17 17 LYS CB C 32.228 0.300 1 146 17 17 LYS CD C 28.899 0.300 1 147 17 17 LYS CE C 41.696 0.300 1 148 17 17 LYS CG C 24.015 0.300 1 149 17 17 LYS N N 130.524 0.300 1 150 18 18 GLY H H 8.479 0.030 1 151 18 18 GLY HA2 H 4.057 0.030 2 152 18 18 GLY HA3 H 3.807 0.030 2 153 18 18 GLY CA C 45.427 0.300 1 154 18 18 GLY N N 116.155 0.300 1 155 19 19 HIS HA H 4.367 0.030 1 156 19 19 HIS HB2 H 3.067 0.030 1 157 19 19 HIS HB3 H 3.067 0.030 1 158 19 19 HIS HD2 H 6.965 0.030 1 159 19 19 HIS HE1 H 7.643 0.030 1 160 19 19 HIS CA C 58.229 0.300 1 161 19 19 HIS CB C 31.220 0.300 1 162 19 19 HIS CD2 C 119.146 0.300 1 163 19 19 HIS CE1 C 138.753 0.300 1 164 20 20 ARG H H 8.047 0.030 1 165 20 20 ARG HA H 4.227 0.030 1 166 20 20 ARG HB2 H 1.858 0.030 2 167 20 20 ARG HB3 H 1.689 0.030 2 168 20 20 ARG HD2 H 3.164 0.030 1 169 20 20 ARG HD3 H 3.164 0.030 1 170 20 20 ARG HG2 H 1.507 0.030 2 171 20 20 ARG HG3 H 1.583 0.030 2 172 20 20 ARG CA C 55.917 0.300 1 173 20 20 ARG CB C 30.767 0.300 1 174 20 20 ARG CD C 43.224 0.300 1 175 20 20 ARG CG C 27.362 0.300 1 176 21 21 ARG HA H 4.107 0.030 1 177 21 21 ARG HB2 H 1.853 0.030 2 178 21 21 ARG HB3 H 1.755 0.030 2 179 21 21 ARG HD2 H 3.137 0.030 1 180 21 21 ARG HD3 H 3.137 0.030 1 181 21 21 ARG HG2 H 1.387 0.030 1 182 21 21 ARG HG3 H 1.387 0.030 1 183 21 21 ARG CA C 57.431 0.300 1 184 21 21 ARG CB C 29.958 0.300 1 185 21 21 ARG CD C 43.272 0.300 1 186 21 21 ARG CG C 27.353 0.300 1 187 22 22 LYS H H 8.477 0.030 1 188 22 22 LYS HA H 4.072 0.030 1 189 22 22 LYS HB2 H 1.807 0.030 1 190 22 22 LYS HB3 H 1.807 0.030 1 191 22 22 LYS HD2 H 1.587 0.030 1 192 22 22 LYS HD3 H 1.587 0.030 1 193 22 22 LYS HE2 H 2.929 0.030 1 194 22 22 LYS HE3 H 2.929 0.030 1 195 22 22 LYS HG2 H 1.247 0.030 2 196 22 22 LYS HG3 H 1.302 0.030 2 197 22 22 LYS C C 175.210 0.300 1 198 22 22 LYS CA C 56.402 0.300 1 199 22 22 LYS CB C 30.871 0.300 1 200 22 22 LYS CD C 29.063 0.300 1 201 22 22 LYS CE C 42.298 0.300 1 202 22 22 LYS CG C 24.870 0.300 1 203 23 23 ASN H H 7.953 0.030 1 204 23 23 ASN HA H 4.859 0.030 1 205 23 23 ASN HB2 H 2.747 0.030 2 206 23 23 ASN HB3 H 2.704 0.030 2 207 23 23 ASN HD21 H 7.557 0.030 2 208 23 23 ASN HD22 H 6.876 0.030 2 209 23 23 ASN C C 173.969 0.300 1 210 23 23 ASN CA C 52.321 0.300 1 211 23 23 ASN CB C 39.873 0.300 1 212 23 23 ASN N N 116.821 0.300 1 213 23 23 ASN ND2 N 113.154 0.300 1 214 24 24 TRP H H 8.715 0.030 1 215 24 24 TRP HA H 4.886 0.030 1 216 24 24 TRP HB2 H 2.987 0.030 2 217 24 24 TRP HB3 H 2.915 0.030 2 218 24 24 TRP HD1 H 7.287 0.030 1 219 24 24 TRP HE1 H 10.395 0.030 1 220 24 24 TRP HE3 H 6.928 0.030 1 221 24 24 TRP HH2 H 6.832 0.030 1 222 24 24 TRP HZ2 H 7.371 0.030 1 223 24 24 TRP HZ3 H 6.648 0.030 1 224 24 24 TRP C C 176.250 0.300 1 225 24 24 TRP CA C 56.859 0.300 1 226 24 24 TRP CB C 30.994 0.300 1 227 24 24 TRP CD1 C 127.281 0.300 1 228 24 24 TRP CE3 C 118.841 0.300 1 229 24 24 TRP CH2 C 124.754 0.300 1 230 24 24 TRP CZ2 C 114.593 0.300 1 231 24 24 TRP CZ3 C 122.532 0.300 1 232 24 24 TRP N N 122.462 0.300 1 233 24 24 TRP NE1 N 130.503 0.300 1 234 25 25 THR H H 8.750 0.030 1 235 25 25 THR HA H 4.687 0.030 1 236 25 25 THR HB H 3.857 0.030 1 237 25 25 THR HG2 H 1.217 0.030 1 238 25 25 THR C C 173.186 0.300 1 239 25 25 THR CA C 60.957 0.300 1 240 25 25 THR CB C 71.872 0.300 1 241 25 25 THR CG2 C 21.318 0.300 1 242 25 25 THR N N 116.552 0.300 1 243 26 26 GLU H H 9.218 0.030 1 244 26 26 GLU HA H 4.883 0.030 1 245 26 26 GLU HB2 H 2.185 0.030 2 246 26 26 GLU HB3 H 1.958 0.030 2 247 26 26 GLU HG2 H 2.207 0.030 1 248 26 26 GLU HG3 H 2.207 0.030 1 249 26 26 GLU C C 176.224 0.300 1 250 26 26 GLU CA C 57.422 0.300 1 251 26 26 GLU CB C 30.913 0.300 1 252 26 26 GLU CG C 38.070 0.300 1 253 26 26 GLU N N 128.774 0.300 1 254 27 27 ARG H H 9.529 0.030 1 255 27 27 ARG HA H 5.116 0.030 1 256 27 27 ARG HB2 H 1.717 0.030 2 257 27 27 ARG HB3 H 1.547 0.030 2 258 27 27 ARG HD2 H 3.797 0.030 2 259 27 27 ARG HD3 H 2.697 0.030 2 260 27 27 ARG HG2 H 1.635 0.030 2 261 27 27 ARG HG3 H 1.417 0.030 2 262 27 27 ARG C C 173.344 0.300 1 263 27 27 ARG CA C 53.060 0.300 1 264 27 27 ARG CB C 34.859 0.300 1 265 27 27 ARG CD C 43.696 0.300 1 266 27 27 ARG CG C 26.843 0.300 1 267 27 27 ARG N N 126.137 0.300 1 268 28 28 TRP H H 9.125 0.030 1 269 28 28 TRP HA H 4.547 0.030 1 270 28 28 TRP HB2 H 2.597 0.030 2 271 28 28 TRP HB3 H 2.758 0.030 2 272 28 28 TRP HD1 H 6.397 0.030 1 273 28 28 TRP HE1 H 9.776 0.030 1 274 28 28 TRP HE3 H 5.208 0.030 1 275 28 28 TRP HH2 H 7.118 0.030 1 276 28 28 TRP HZ2 H 7.153 0.030 1 277 28 28 TRP HZ3 H 6.879 0.030 1 278 28 28 TRP C C 175.137 0.300 1 279 28 28 TRP CA C 56.402 0.300 1 280 28 28 TRP CB C 30.091 0.300 1 281 28 28 TRP CD1 C 126.375 0.300 1 282 28 28 TRP CE3 C 120.523 0.300 1 283 28 28 TRP CH2 C 124.377 0.300 1 284 28 28 TRP CZ2 C 114.200 0.300 1 285 28 28 TRP CZ3 C 122.851 0.300 1 286 28 28 TRP N N 123.015 0.300 1 287 28 28 TRP NE1 N 127.999 0.300 1 288 29 29 PHE H H 8.876 0.030 1 289 29 29 PHE HA H 4.958 0.030 1 290 29 29 PHE HB2 H 2.808 0.030 2 291 29 29 PHE HB3 H 2.344 0.030 2 292 29 29 PHE HD1 H 7.020 0.030 1 293 29 29 PHE HD2 H 7.020 0.030 1 294 29 29 PHE HE1 H 6.648 0.030 1 295 29 29 PHE HE2 H 6.648 0.030 1 296 29 29 PHE HZ H 6.337 0.030 1 297 29 29 PHE C C 175.048 0.300 1 298 29 29 PHE CA C 57.756 0.300 1 299 29 29 PHE CB C 42.874 0.300 1 300 29 29 PHE CD1 C 131.948 0.300 1 301 29 29 PHE CD2 C 131.948 0.300 1 302 29 29 PHE CE1 C 130.423 0.300 1 303 29 29 PHE CE2 C 130.423 0.300 1 304 29 29 PHE CZ C 127.484 0.300 1 305 29 29 PHE N N 128.273 0.300 1 306 30 30 VAL H H 9.229 0.030 1 307 30 30 VAL HA H 4.612 0.030 1 308 30 30 VAL HB H 2.301 0.030 1 309 30 30 VAL HG1 H 1.131 0.030 1 310 30 30 VAL HG2 H 1.173 0.030 1 311 30 30 VAL C C 174.651 0.300 1 312 30 30 VAL CA C 62.082 0.300 1 313 30 30 VAL CB C 35.603 0.300 1 314 30 30 VAL CG1 C 22.862 0.300 2 315 30 30 VAL CG2 C 22.323 0.300 2 316 30 30 VAL N N 118.237 0.300 1 317 31 31 LEU H H 9.324 0.030 1 318 31 31 LEU HA H 5.105 0.030 1 319 31 31 LEU HB2 H 2.045 0.030 2 320 31 31 LEU HB3 H 1.467 0.030 2 321 31 31 LEU HD1 H 0.622 0.030 1 322 31 31 LEU HD2 H 1.126 0.030 1 323 31 31 LEU HG H 1.527 0.030 1 324 31 31 LEU C C 173.752 0.300 1 325 31 31 LEU CA C 54.854 0.300 1 326 31 31 LEU CB C 44.929 0.300 1 327 31 31 LEU CD1 C 27.114 0.300 2 328 31 31 LEU CD2 C 24.624 0.300 2 329 31 31 LEU CG C 27.562 0.300 1 330 31 31 LEU N N 129.304 0.300 1 331 32 32 LYS H H 9.138 0.030 1 332 32 32 LYS HA H 4.885 0.030 1 333 32 32 LYS HB2 H 1.857 0.030 2 334 32 32 LYS HB3 H 2.248 0.030 2 335 32 32 LYS HD2 H 1.704 0.030 1 336 32 32 LYS HD3 H 1.704 0.030 1 337 32 32 LYS HE2 H 2.895 0.030 1 338 32 32 LYS HE3 H 2.895 0.030 1 339 32 32 LYS HG2 H 1.535 0.030 1 340 32 32 LYS HG3 H 1.535 0.030 1 341 32 32 LYS C C 173.697 0.300 1 342 32 32 LYS CA C 55.206 0.300 1 343 32 32 LYS CB C 33.173 0.300 1 344 32 32 LYS CD C 29.243 0.300 1 345 32 32 LYS CE C 42.361 0.300 1 346 32 32 LYS CG C 26.422 0.300 1 347 32 32 LYS N N 130.443 0.300 1 348 33 33 PRO HA H 4.187 0.030 1 349 33 33 PRO HB2 H 2.307 0.030 2 350 33 33 PRO HB3 H 1.787 0.030 2 351 33 33 PRO HD2 H 3.697 0.030 2 352 33 33 PRO HD3 H 3.955 0.030 2 353 33 33 PRO HG2 H 1.918 0.030 2 354 33 33 PRO HG3 H 2.148 0.030 2 355 33 33 PRO C C 175.742 0.300 1 356 33 33 PRO CA C 65.828 0.300 1 357 33 33 PRO CB C 31.858 0.300 1 358 33 33 PRO CD C 50.452 0.300 1 359 33 33 PRO CG C 28.425 0.300 1 360 34 34 ASN H H 7.568 0.030 1 361 34 34 ASN HA H 4.814 0.030 1 362 34 34 ASN HB2 H 3.087 0.030 2 363 34 34 ASN HB3 H 2.777 0.030 2 364 34 34 ASN HD21 H 7.664 0.030 2 365 34 34 ASN HD22 H 6.780 0.030 2 366 34 34 ASN C C 174.469 0.300 1 367 34 34 ASN CA C 52.163 0.300 1 368 34 34 ASN CB C 39.421 0.300 1 369 34 34 ASN N N 106.731 0.300 1 370 34 34 ASN ND2 N 112.085 0.300 1 371 35 35 ILE H H 7.583 0.030 1 372 35 35 ILE HA H 5.037 0.030 1 373 35 35 ILE HB H 1.835 0.030 1 374 35 35 ILE HD1 H 0.717 0.030 1 375 35 35 ILE HG12 H 0.999 0.030 2 376 35 35 ILE HG13 H 1.485 0.030 2 377 35 35 ILE HG2 H 0.876 0.030 1 378 35 35 ILE C C 172.083 0.300 1 379 35 35 ILE CA C 61.133 0.300 1 380 35 35 ILE CB C 42.668 0.300 1 381 35 35 ILE CD1 C 14.781 0.300 1 382 35 35 ILE CG1 C 28.487 0.300 1 383 35 35 ILE CG2 C 16.403 0.300 1 384 35 35 ILE N N 119.038 0.300 1 385 36 36 ILE H H 8.626 0.030 1 386 36 36 ILE HA H 5.406 0.030 1 387 36 36 ILE HB H 1.936 0.030 1 388 36 36 ILE HD1 H 0.949 0.030 1 389 36 36 ILE HG12 H 1.239 0.030 2 390 36 36 ILE HG13 H 1.906 0.030 2 391 36 36 ILE HG2 H 1.087 0.030 1 392 36 36 ILE C C 175.931 0.300 1 393 36 36 ILE CA C 59.816 0.300 1 394 36 36 ILE CB C 40.243 0.300 1 395 36 36 ILE CD1 C 13.916 0.300 1 396 36 36 ILE CG1 C 28.516 0.300 1 397 36 36 ILE CG2 C 18.212 0.300 1 398 36 36 ILE N N 122.922 0.300 1 399 37 37 SER H H 9.195 0.030 1 400 37 37 SER HA H 5.452 0.030 1 401 37 37 SER HB2 H 3.641 0.030 1 402 37 37 SER HB3 H 3.641 0.030 1 403 37 37 SER C C 172.028 0.300 1 404 37 37 SER CA C 57.615 0.300 1 405 37 37 SER CB C 66.652 0.300 1 406 37 37 SER N N 123.822 0.300 1 407 38 38 TYR H H 8.153 0.030 1 408 38 38 TYR HA H 5.967 0.030 1 409 38 38 TYR HB2 H 1.655 0.030 1 410 38 38 TYR HB3 H 1.655 0.030 1 411 38 38 TYR HD1 H 6.199 0.030 1 412 38 38 TYR HD2 H 6.199 0.030 1 413 38 38 TYR HE1 H 6.417 0.030 1 414 38 38 TYR HE2 H 6.417 0.030 1 415 38 38 TYR C C 174.193 0.300 1 416 38 38 TYR CA C 54.449 0.300 1 417 38 38 TYR CB C 39.709 0.300 1 418 38 38 TYR CD1 C 133.087 0.300 1 419 38 38 TYR CD2 C 133.087 0.300 1 420 38 38 TYR CE1 C 117.527 0.300 1 421 38 38 TYR CE2 C 117.527 0.300 1 422 38 38 TYR N N 117.724 0.300 1 423 39 39 TYR H H 9.420 0.030 1 424 39 39 TYR HA H 5.237 0.030 1 425 39 39 TYR HB2 H 3.266 0.030 2 426 39 39 TYR HB3 H 2.966 0.030 2 427 39 39 TYR HE1 H 6.738 0.030 1 428 39 39 TYR HE2 H 6.738 0.030 1 429 39 39 TYR C C 175.920 0.300 1 430 39 39 TYR CA C 56.103 0.300 1 431 39 39 TYR CB C 43.531 0.300 1 432 39 39 TYR CE1 C 118.524 0.300 1 433 39 39 TYR CE2 C 118.524 0.300 1 434 39 39 TYR N N 120.316 0.300 1 435 40 40 VAL H H 8.714 0.030 1 436 40 40 VAL HA H 3.987 0.030 1 437 40 40 VAL HB H 2.322 0.030 1 438 40 40 VAL HG1 H 1.127 0.030 1 439 40 40 VAL HG2 H 1.159 0.030 1 440 40 40 VAL C C 175.974 0.300 1 441 40 40 VAL CA C 67.411 0.300 1 442 40 40 VAL CB C 32.064 0.300 1 443 40 40 VAL CG1 C 21.281 0.300 2 444 40 40 VAL CG2 C 24.377 0.300 2 445 40 40 VAL N N 121.977 0.300 1 446 41 41 SER H H 8.277 0.030 1 447 41 41 SER HA H 5.206 0.030 1 448 41 41 SER HB2 H 3.948 0.030 2 449 41 41 SER HB3 H 3.804 0.030 2 450 41 41 SER C C 173.135 0.300 1 451 41 41 SER CA C 56.279 0.300 1 452 41 41 SER CB C 65.830 0.300 1 453 41 41 SER N N 110.363 0.300 1 454 42 42 GLU H H 7.269 0.030 1 455 42 42 GLU HA H 1.627 0.030 1 456 42 42 GLU HB2 H 0.578 0.030 2 457 42 42 GLU HB3 H 0.094 0.030 2 458 42 42 GLU HG2 H 1.276 0.030 2 459 42 42 GLU HG3 H 1.506 0.030 2 460 42 42 GLU C C 173.821 0.300 1 461 42 42 GLU CA C 56.472 0.300 1 462 42 42 GLU CB C 27.800 0.300 1 463 42 42 GLU CG C 34.544 0.300 1 464 42 42 GLU N N 120.106 0.300 1 465 43 43 ASP H H 7.225 0.030 1 466 43 43 ASP HA H 4.027 0.030 1 467 43 43 ASP HB2 H 2.756 0.030 2 468 43 43 ASP HB3 H 2.427 0.030 2 469 43 43 ASP C C 176.926 0.300 1 470 43 43 ASP CA C 54.432 0.300 1 471 43 43 ASP CB C 39.586 0.300 1 472 43 43 ASP N N 118.330 0.300 1 473 44 44 LEU H H 7.680 0.030 1 474 44 44 LEU HA H 3.094 0.030 1 475 44 44 LEU HB2 H 1.815 0.030 2 476 44 44 LEU HB3 H 1.006 0.030 2 477 44 44 LEU HD1 H 0.661 0.030 1 478 44 44 LEU HD2 H -0.022 0.030 1 479 44 44 LEU HG H 1.018 0.030 1 480 44 44 LEU C C 176.347 0.300 1 481 44 44 LEU CA C 55.992 0.300 1 482 44 44 LEU CB C 38.229 0.300 1 483 44 44 LEU CD1 C 25.583 0.300 2 484 44 44 LEU CD2 C 22.332 0.300 2 485 44 44 LEU CG C 25.576 0.300 1 486 44 44 LEU N N 112.529 0.300 1 487 45 45 LYS H H 8.248 0.030 1 488 45 45 LYS HA H 4.027 0.030 1 489 45 45 LYS HB2 H 1.706 0.030 2 490 45 45 LYS HB3 H 1.678 0.030 2 491 45 45 LYS HD2 H 1.590 0.030 1 492 45 45 LYS HD3 H 1.590 0.030 1 493 45 45 LYS HE2 H 2.924 0.030 1 494 45 45 LYS HE3 H 2.924 0.030 1 495 45 45 LYS HG2 H 1.251 0.030 1 496 45 45 LYS HG3 H 1.251 0.030 1 497 45 45 LYS C C 177.442 0.300 1 498 45 45 LYS CA C 59.022 0.300 1 499 45 45 LYS CB C 33.050 0.300 1 500 45 45 LYS CD C 28.943 0.300 1 501 45 45 LYS CE C 42.153 0.300 1 502 45 45 LYS CG C 25.652 0.300 1 503 45 45 LYS N N 119.292 0.300 1 504 46 46 ASP H H 8.793 0.030 1 505 46 46 ASP HA H 5.004 0.030 1 506 46 46 ASP HB2 H 2.787 0.030 2 507 46 46 ASP HB3 H 2.395 0.030 2 508 46 46 ASP C C 174.311 0.300 1 509 46 46 ASP CA C 52.515 0.300 1 510 46 46 ASP CB C 41.682 0.300 1 511 46 46 ASP N N 119.934 0.300 1 512 47 47 LYS H H 8.669 0.030 1 513 47 47 LYS HA H 3.697 0.030 1 514 47 47 LYS HB2 H 1.514 0.030 2 515 47 47 LYS HB3 H 1.665 0.030 2 516 47 47 LYS HD2 H 1.322 0.030 2 517 47 47 LYS HD3 H 1.568 0.030 2 518 47 47 LYS HE2 H 2.649 0.030 1 519 47 47 LYS HE3 H 2.649 0.030 1 520 47 47 LYS HG2 H 0.405 0.030 2 521 47 47 LYS HG3 H 0.767 0.030 2 522 47 47 LYS C C 176.459 0.300 1 523 47 47 LYS CA C 57.404 0.300 1 524 47 47 LYS CB C 31.858 0.300 1 525 47 47 LYS CD C 28.430 0.300 1 526 47 47 LYS CE C 41.558 0.300 1 527 47 47 LYS CG C 24.967 0.300 1 528 47 47 LYS N N 125.913 0.300 1 529 48 48 LYS H H 8.908 0.030 1 530 48 48 LYS HA H 4.437 0.030 1 531 48 48 LYS HB2 H 1.877 0.030 2 532 48 48 LYS HB3 H 1.297 0.030 2 533 48 48 LYS HD2 H 1.646 0.030 2 534 48 48 LYS HD3 H 1.579 0.030 2 535 48 48 LYS HE2 H 2.719 0.030 2 536 48 48 LYS HE3 H 2.861 0.030 2 537 48 48 LYS HG2 H 1.342 0.030 2 538 48 48 LYS HG3 H 1.197 0.030 2 539 48 48 LYS C C 175.845 0.300 1 540 48 48 LYS CA C 53.640 0.300 1 541 48 48 LYS CB C 33.543 0.300 1 542 48 48 LYS CD C 27.419 0.300 1 543 48 48 LYS CE C 41.901 0.300 1 544 48 48 LYS CG C 23.637 0.300 1 545 48 48 LYS N N 126.825 0.300 1 546 49 49 GLY H H 6.568 0.030 1 547 49 49 GLY HA2 H 3.669 0.030 2 548 49 49 GLY HA3 H 3.549 0.030 2 549 49 49 GLY C C 168.964 0.300 1 550 49 49 GLY CA C 45.603 0.300 1 551 49 49 GLY N N 106.631 0.300 1 552 50 50 ASP H H 7.886 0.030 1 553 50 50 ASP HA H 5.467 0.030 1 554 50 50 ASP HB2 H 2.349 0.030 2 555 50 50 ASP HB3 H 2.285 0.030 2 556 50 50 ASP C C 175.204 0.300 1 557 50 50 ASP CA C 53.184 0.300 1 558 50 50 ASP CB C 46.274 0.300 1 559 50 50 ASP N N 114.230 0.300 1 560 51 51 ILE H H 9.559 0.030 1 561 51 51 ILE HA H 3.968 0.030 1 562 51 51 ILE HB H 1.598 0.030 1 563 51 51 ILE HD1 H 0.136 0.030 1 564 51 51 ILE HG12 H 1.134 0.030 2 565 51 51 ILE HG13 H 0.013 0.030 2 566 51 51 ILE HG2 H 0.503 0.030 1 567 51 51 ILE C C 174.299 0.300 1 568 51 51 ILE CA C 61.062 0.300 1 569 51 51 ILE CB C 39.586 0.300 1 570 51 51 ILE CD1 C 13.217 0.300 1 571 51 51 ILE CG1 C 26.294 0.300 1 572 51 51 ILE CG2 C 16.568 0.300 1 573 51 51 ILE N N 122.187 0.300 1 574 52 52 LEU H H 8.477 0.030 1 575 52 52 LEU HA H 4.355 0.030 1 576 52 52 LEU HB2 H 1.659 0.030 1 577 52 52 LEU HB3 H 1.659 0.030 1 578 52 52 LEU HD1 H 0.939 0.030 1 579 52 52 LEU HD2 H 0.859 0.030 1 580 52 52 LEU HG H 1.691 0.030 1 581 52 52 LEU C C 176.115 0.300 1 582 52 52 LEU CA C 55.646 0.300 1 583 52 52 LEU CB C 40.781 0.300 1 584 52 52 LEU CD1 C 24.829 0.300 2 585 52 52 LEU CD2 C 23.887 0.300 2 586 52 52 LEU CG C 27.751 0.300 1 587 52 52 LEU N N 129.012 0.300 1 588 53 53 LEU H H 7.671 0.030 1 589 53 53 LEU HA H 4.751 0.030 1 590 53 53 LEU HB2 H 1.398 0.030 2 591 53 53 LEU HB3 H 1.007 0.030 2 592 53 53 LEU HD1 H 0.733 0.030 1 593 53 53 LEU HD2 H 0.667 0.030 1 594 53 53 LEU HG H 1.557 0.030 1 595 53 53 LEU C C 175.044 0.300 1 596 53 53 LEU CA C 53.939 0.300 1 597 53 53 LEU CB C 44.399 0.300 1 598 53 53 LEU CD1 C 25.857 0.300 2 599 53 53 LEU CD2 C 22.230 0.300 2 600 53 53 LEU CG C 26.791 0.300 1 601 53 53 LEU N N 122.088 0.300 1 602 54 54 ASP H H 7.635 0.030 1 603 54 54 ASP HA H 4.537 0.030 1 604 54 54 ASP HB2 H 2.995 0.030 2 605 54 54 ASP HB3 H 2.706 0.030 2 606 54 54 ASP C C 175.325 0.300 1 607 54 54 ASP CA C 53.113 0.300 1 608 54 54 ASP CB C 43.696 0.300 1 609 54 54 ASP N N 119.112 0.300 1 610 55 55 GLU H H 9.359 0.030 1 611 55 55 GLU HA H 4.058 0.030 1 612 55 55 GLU HB2 H 2.098 0.030 2 613 55 55 GLU HB3 H 1.805 0.030 2 614 55 55 GLU HG2 H 2.157 0.030 2 615 55 55 GLU HG3 H 2.114 0.030 2 616 55 55 GLU C C 174.850 0.300 1 617 55 55 GLU CA C 58.020 0.300 1 618 55 55 GLU CB C 29.186 0.300 1 619 55 55 GLU CG C 34.653 0.300 1 620 55 55 GLU N N 116.269 0.300 1 621 56 56 ASN H H 8.890 0.030 1 622 56 56 ASN HA H 4.848 0.030 1 623 56 56 ASN HB2 H 2.644 0.030 1 624 56 56 ASN HB3 H 2.644 0.030 1 625 56 56 ASN HD21 H 7.859 0.030 2 626 56 56 ASN HD22 H 7.082 0.030 2 627 56 56 ASN C C 176.174 0.300 1 628 56 56 ASN CA C 53.482 0.300 1 629 56 56 ASN CB C 39.466 0.300 1 630 56 56 ASN N N 118.171 0.300 1 631 56 56 ASN ND2 N 117.076 0.300 1 632 57 57 CYS H H 7.558 0.030 1 633 57 57 CYS HA H 5.484 0.030 1 634 57 57 CYS HB2 H 3.345 0.030 2 635 57 57 CYS HB3 H 2.827 0.030 2 636 57 57 CYS C C 172.702 0.300 1 637 57 57 CYS CA C 58.547 0.300 1 638 57 57 CYS CB C 46.655 0.300 1 639 57 57 CYS N N 118.902 0.300 1 640 58 58 CYS H H 9.402 0.030 1 641 58 58 CYS HA H 4.955 0.030 1 642 58 58 CYS HB2 H 3.057 0.030 2 643 58 58 CYS HB3 H 3.006 0.030 2 644 58 58 CYS C C 171.553 0.300 1 645 58 58 CYS CA C 56.666 0.300 1 646 58 58 CYS CB C 31.611 0.300 1 647 58 58 CYS N N 116.116 0.300 1 648 59 59 VAL H H 8.788 0.030 1 649 59 59 VAL HA H 5.694 0.030 1 650 59 59 VAL HB H 1.968 0.030 1 651 59 59 VAL HG1 H 1.162 0.030 1 652 59 59 VAL HG2 H 1.118 0.030 1 653 59 59 VAL C C 173.777 0.300 1 654 59 59 VAL CA C 58.723 0.300 1 655 59 59 VAL CB C 34.941 0.300 1 656 59 59 VAL CG1 C 20.102 0.300 2 657 59 59 VAL CG2 C 22.661 0.300 2 658 59 59 VAL N N 119.962 0.300 1 659 60 60 GLU H H 8.899 0.030 1 660 60 60 GLU HA H 4.836 0.030 1 661 60 60 GLU HB2 H 2.068 0.030 2 662 60 60 GLU HB3 H 1.854 0.030 2 663 60 60 GLU HG2 H 2.199 0.030 1 664 60 60 GLU HG3 H 2.199 0.030 1 665 60 60 GLU C C 175.316 0.300 1 666 60 60 GLU CA C 54.432 0.300 1 667 60 60 GLU CB C 34.407 0.300 1 668 60 60 GLU CG C 35.720 0.300 1 669 60 60 GLU N N 124.392 0.300 1 670 61 61 SER H H 8.947 0.030 1 671 61 61 SER HA H 4.286 0.030 1 672 61 61 SER HB2 H 3.856 0.030 2 673 61 61 SER HB3 H 3.803 0.030 2 674 61 61 SER C C 173.520 0.300 1 675 61 61 SER CA C 58.741 0.300 1 676 61 61 SER CB C 63.384 0.300 1 677 61 61 SER N N 116.519 0.300 1 678 62 62 LEU H H 7.640 0.030 1 679 62 62 LEU HA H 4.944 0.030 1 680 62 62 LEU HB2 H 1.631 0.030 2 681 62 62 LEU HB3 H 1.375 0.030 2 682 62 62 LEU HD1 H 0.849 0.030 1 683 62 62 LEU HD2 H 0.941 0.030 1 684 62 62 LEU HG H 1.537 0.030 1 685 62 62 LEU C C 174.399 0.300 1 686 62 62 LEU CA C 51.740 0.300 1 687 62 62 LEU CB C 44.496 0.300 1 688 62 62 LEU CD1 C 25.994 0.300 2 689 62 62 LEU CD2 C 22.956 0.300 2 690 62 62 LEU CG C 26.891 0.300 1 691 62 62 LEU N N 128.181 0.300 1 692 63 63 PRO HA H 4.516 0.030 1 693 63 63 PRO HB2 H 2.275 0.030 2 694 63 63 PRO HB3 H 1.917 0.030 2 695 63 63 PRO HD2 H 3.598 0.030 2 696 63 63 PRO HD3 H 3.737 0.030 2 697 63 63 PRO HG2 H 1.920 0.030 2 698 63 63 PRO HG3 H 1.988 0.030 2 699 63 63 PRO C C 175.044 0.300 1 700 63 63 PRO CA C 61.713 0.300 1 701 63 63 PRO CB C 32.141 0.300 1 702 63 63 PRO CD C 50.228 0.300 1 703 63 63 PRO CG C 27.034 0.300 1 704 64 64 ASP H H 8.205 0.030 1 705 64 64 ASP HA H 4.288 0.030 1 706 64 64 ASP HB2 H 2.767 0.030 2 707 64 64 ASP HB3 H 2.477 0.030 2 708 64 64 ASP C C 176.058 0.300 1 709 64 64 ASP CA C 55.681 0.300 1 710 64 64 ASP CB C 40.380 0.300 1 711 64 64 ASP N N 119.378 0.300 1 712 65 65 LYS H H 7.575 0.030 1 713 65 65 LYS HA H 4.489 0.030 1 714 65 65 LYS HB2 H 1.778 0.030 2 715 65 65 LYS HB3 H 1.685 0.030 2 716 65 65 LYS HD2 H 1.637 0.030 1 717 65 65 LYS HD3 H 1.637 0.030 1 718 65 65 LYS HE2 H 2.924 0.030 2 719 65 65 LYS HG2 H 1.387 0.030 2 720 65 65 LYS HG3 H 1.247 0.030 2 721 65 65 LYS C C 175.461 0.300 1 722 65 65 LYS CA C 56.331 0.300 1 723 65 65 LYS CB C 35.105 0.300 1 724 65 65 LYS CD C 29.396 0.300 1 725 65 65 LYS CE C 42.134 0.300 1 726 65 65 LYS CG C 24.140 0.300 1 727 65 65 LYS N N 119.752 0.300 1 728 66 66 ASP H H 9.111 0.030 1 729 66 66 ASP HA H 4.336 0.030 1 730 66 66 ASP HB2 H 3.057 0.030 2 731 66 66 ASP HB3 H 2.747 0.030 2 732 66 66 ASP C C 175.664 0.300 1 733 66 66 ASP CA C 55.505 0.300 1 734 66 66 ASP CB C 39.791 0.300 1 735 66 66 ASP N N 121.323 0.300 1 736 67 67 GLY H H 8.461 0.030 1 737 67 67 GLY HA2 H 4.053 0.030 2 738 67 67 GLY HA3 H 3.576 0.030 2 739 67 67 GLY C C 173.818 0.300 1 740 67 67 GLY CA C 45.585 0.300 1 741 67 67 GLY N N 105.261 0.300 1 742 68 68 LYS H H 7.877 0.030 1 743 68 68 LYS HA H 4.307 0.030 1 744 68 68 LYS HB2 H 1.487 0.030 2 745 68 68 LYS HB3 H 1.278 0.030 2 746 68 68 LYS HD2 H 0.787 0.030 2 747 68 68 LYS HD3 H 0.906 0.030 2 748 68 68 LYS HE2 H 1.988 0.030 2 749 68 68 LYS HE3 H 2.154 0.030 2 750 68 68 LYS HG2 H 0.237 0.030 2 751 68 68 LYS HG3 H 0.536 0.030 2 752 68 68 LYS C C 174.904 0.300 1 753 68 68 LYS CA C 53.183 0.300 1 754 68 68 LYS CB C 34.160 0.300 1 755 68 68 LYS CD C 27.317 0.300 1 756 68 68 LYS CE C 41.506 0.300 1 757 68 68 LYS CG C 23.179 0.300 1 758 68 68 LYS N N 121.019 0.300 1 759 69 69 LYS H H 8.118 0.030 1 760 69 69 LYS HA H 4.736 0.030 1 761 69 69 LYS HB2 H 1.876 0.030 2 762 69 69 LYS HB3 H 1.593 0.030 2 763 69 69 LYS HD2 H 1.570 0.030 2 764 69 69 LYS HD3 H 1.527 0.030 2 765 69 69 LYS HE2 H 2.873 0.030 2 766 69 69 LYS HG2 H 1.157 0.030 1 767 69 69 LYS HG3 H 1.157 0.030 1 768 69 69 LYS C C 174.827 0.300 1 769 69 69 LYS CA C 53.922 0.300 1 770 69 69 LYS CB C 36.708 0.300 1 771 69 69 LYS CD C 29.071 0.300 1 772 69 69 LYS CE C 42.298 0.300 1 773 69 69 LYS CG C 25.117 0.300 1 774 69 69 LYS N N 119.127 0.300 1 775 70 70 CYS H H 8.423 0.030 1 776 70 70 CYS HA H 3.827 0.030 1 777 70 70 CYS HB2 H 2.387 0.030 2 778 70 70 CYS HB3 H 3.538 0.030 2 779 70 70 CYS C C 174.673 0.300 1 780 70 70 CYS CA C 59.461 0.300 1 781 70 70 CYS CB C 25.816 0.300 1 782 70 70 CYS N N 114.977 0.300 1 783 71 71 LEU H H 9.468 0.030 1 784 71 71 LEU HA H 5.409 0.030 1 785 71 71 LEU HB2 H 1.777 0.030 2 786 71 71 LEU HB3 H 1.297 0.030 2 787 71 71 LEU HD1 H 0.948 0.030 1 788 71 71 LEU HD2 H 0.697 0.030 1 789 71 71 LEU HG H 1.306 0.030 1 790 71 71 LEU C C 179.015 0.300 1 791 71 71 LEU CA C 54.346 0.300 1 792 71 71 LEU CB C 46.254 0.300 1 793 71 71 LEU CD1 C 26.148 0.300 2 794 71 71 LEU CD2 C 26.021 0.300 2 795 71 71 LEU CG C 27.957 0.300 1 796 71 71 LEU N N 120.076 0.300 1 797 72 72 PHE H H 9.533 0.030 1 798 72 72 PHE HA H 5.030 0.030 1 799 72 72 PHE HB2 H 3.098 0.030 2 800 72 72 PHE HB3 H 3.057 0.030 2 801 72 72 PHE HD1 H 6.835 0.030 1 802 72 72 PHE HD2 H 6.835 0.030 1 803 72 72 PHE HE1 H 6.742 0.030 1 804 72 72 PHE HE2 H 6.742 0.030 1 805 72 72 PHE HZ H 6.366 0.030 1 806 72 72 PHE C C 170.214 0.300 1 807 72 72 PHE CA C 56.894 0.300 1 808 72 72 PHE CB C 41.558 0.300 1 809 72 72 PHE CD1 C 132.260 0.300 1 810 72 72 PHE CD2 C 132.260 0.300 1 811 72 72 PHE CE1 C 130.001 0.300 1 812 72 72 PHE CE2 C 130.001 0.300 1 813 72 72 PHE CZ C 129.507 0.300 1 814 72 72 PHE N N 118.223 0.300 1 815 73 73 LEU H H 9.302 0.030 1 816 73 73 LEU HA H 5.475 0.030 1 817 73 73 LEU HB2 H 1.708 0.030 2 818 73 73 LEU HB3 H 1.497 0.030 2 819 73 73 LEU HD1 H 0.857 0.030 1 820 73 73 LEU HD2 H 0.887 0.030 1 821 73 73 LEU HG H 1.527 0.030 1 822 73 73 LEU C C 176.383 0.300 1 823 73 73 LEU CA C 52.832 0.300 1 824 73 73 LEU CB C 46.819 0.300 1 825 73 73 LEU CD1 C 26.521 0.300 2 826 73 73 LEU CD2 C 25.117 0.300 2 827 73 73 LEU CG C 26.811 0.300 1 828 73 73 LEU N N 119.623 0.300 1 829 74 74 VAL H H 8.877 0.030 1 830 74 74 VAL HA H 4.780 0.030 1 831 74 74 VAL HB H 2.027 0.030 1 832 74 74 VAL HG1 H 0.923 0.030 1 833 74 74 VAL HG2 H 1.031 0.030 1 834 74 74 VAL C C 174.152 0.300 1 835 74 74 VAL CA C 61.800 0.300 1 836 74 74 VAL CB C 33.954 0.300 1 837 74 74 VAL CG1 C 21.227 0.300 2 838 74 74 VAL CG2 C 21.869 0.300 2 839 74 74 VAL N N 123.218 0.300 1 840 75 75 LYS H H 9.137 0.030 1 841 75 75 LYS HA H 5.325 0.030 1 842 75 75 LYS HB2 H 1.906 0.030 2 843 75 75 LYS HB3 H 1.547 0.030 2 844 75 75 LYS HD2 H 1.577 0.030 1 845 75 75 LYS HD3 H 1.577 0.030 1 846 75 75 LYS HE2 H 2.860 0.030 1 847 75 75 LYS HE3 H 2.860 0.030 1 848 75 75 LYS HG2 H 1.247 0.030 2 849 75 75 LYS HG3 H 1.334 0.030 2 850 75 75 LYS C C 175.597 0.300 1 851 75 75 LYS CA C 54.836 0.300 1 852 75 75 LYS CB C 35.582 0.300 1 853 75 75 LYS CD C 29.556 0.300 1 854 75 75 LYS CE C 42.134 0.300 1 855 75 75 LYS CG C 24.422 0.300 1 856 75 75 LYS N N 128.665 0.300 1 857 76 76 CYS H H 8.789 0.030 1 858 76 76 CYS HA H 4.933 0.030 1 859 76 76 CYS HB2 H 3.385 0.030 2 860 76 76 CYS HB3 H 2.936 0.030 2 861 76 76 CYS C C 174.350 0.300 1 862 76 76 CYS CA C 54.819 0.300 1 863 76 76 CYS CB C 45.792 0.300 1 864 76 76 CYS N N 124.592 0.300 1 865 77 77 PHE H H 9.228 0.030 1 866 77 77 PHE HA H 4.152 0.030 1 867 77 77 PHE HB2 H 3.309 0.030 2 868 77 77 PHE HB3 H 3.256 0.030 2 869 77 77 PHE HD1 H 7.268 0.030 1 870 77 77 PHE HD2 H 7.268 0.030 1 871 77 77 PHE HE1 H 7.357 0.030 1 872 77 77 PHE HE2 H 7.357 0.030 1 873 77 77 PHE HZ H 7.297 0.030 1 874 77 77 PHE C C 174.993 0.300 1 875 77 77 PHE CA C 60.200 0.300 1 876 77 77 PHE CB C 36.987 0.300 1 877 77 77 PHE CD1 C 131.633 0.300 1 878 77 77 PHE CD2 C 131.633 0.300 1 879 77 77 PHE CE1 C 131.633 0.300 1 880 77 77 PHE CE2 C 131.633 0.300 1 881 77 77 PHE CZ C 130.043 0.300 1 882 77 77 PHE N N 123.914 0.300 1 883 78 78 ASP H H 8.689 0.030 1 884 78 78 ASP HA H 4.467 0.030 1 885 78 78 ASP HB2 H 2.737 0.030 2 886 78 78 ASP HB3 H 2.530 0.030 2 887 78 78 ASP C C 175.566 0.300 1 888 78 78 ASP CA C 54.238 0.300 1 889 78 78 ASP CB C 40.499 0.300 1 890 78 78 ASP N N 119.241 0.300 1 891 79 79 LYS H H 7.869 0.030 1 892 79 79 LYS HA H 4.465 0.030 1 893 79 79 LYS HB2 H 1.896 0.030 2 894 79 79 LYS HB3 H 1.647 0.030 2 895 79 79 LYS HD2 H 1.739 0.030 1 896 79 79 LYS HD3 H 1.739 0.030 1 897 79 79 LYS HE2 H 3.057 0.030 1 898 79 79 LYS HE3 H 3.057 0.030 1 899 79 79 LYS HG2 H 1.366 0.030 2 900 79 79 LYS HG3 H 1.499 0.030 2 901 79 79 LYS C C 174.661 0.300 1 902 79 79 LYS CA C 55.698 0.300 1 903 79 79 LYS CB C 34.982 0.300 1 904 79 79 LYS CD C 29.063 0.300 1 905 79 79 LYS CE C 42.463 0.300 1 906 79 79 LYS CG C 24.811 0.300 1 907 79 79 LYS N N 120.886 0.300 1 908 80 80 THR H H 8.008 0.030 1 909 80 80 THR HA H 5.064 0.030 1 910 80 80 THR HB H 3.906 0.030 1 911 80 80 THR HG2 H 1.078 0.030 1 912 80 80 THR C C 173.486 0.300 1 913 80 80 THR CA C 60.482 0.300 1 914 80 80 THR CB C 71.508 0.300 1 915 80 80 THR CG2 C 22.404 0.300 1 916 80 80 THR N N 115.004 0.300 1 917 81 81 PHE H H 9.012 0.030 1 918 81 81 PHE HA H 4.814 0.030 1 919 81 81 PHE HB2 H 2.895 0.030 2 920 81 81 PHE HB3 H 2.667 0.030 2 921 81 81 PHE HD1 H 7.088 0.030 1 922 81 81 PHE HD2 H 7.088 0.030 1 923 81 81 PHE HE1 H 7.266 0.030 1 924 81 81 PHE HE2 H 7.266 0.030 1 925 81 81 PHE HZ H 7.219 0.030 1 926 81 81 PHE C C 173.547 0.300 1 927 81 81 PHE CA C 55.944 0.300 1 928 81 81 PHE CB C 41.394 0.300 1 929 81 81 PHE CD1 C 131.471 0.300 1 930 81 81 PHE CD2 C 131.471 0.300 1 931 81 81 PHE CE1 C 131.460 0.300 1 932 81 81 PHE CE2 C 131.460 0.300 1 933 81 81 PHE CZ C 130.015 0.300 1 934 81 81 PHE N N 123.053 0.300 1 935 82 82 GLU H H 8.811 0.030 1 936 82 82 GLU HA H 4.713 0.030 1 937 82 82 GLU HB2 H 1.767 0.030 2 938 82 82 GLU HB3 H 1.669 0.030 2 939 82 82 GLU HG2 H 2.017 0.030 1 940 82 82 GLU HG3 H 2.017 0.030 1 941 82 82 GLU C C 174.133 0.300 1 942 82 82 GLU CA C 56.244 0.300 1 943 82 82 GLU CB C 31.611 0.300 1 944 82 82 GLU CG C 36.911 0.300 1 945 82 82 GLU N N 125.567 0.300 1 946 83 83 ILE H H 8.478 0.030 1 947 83 83 ILE HA H 4.758 0.030 1 948 83 83 ILE HB H -0.153 0.030 1 949 83 83 ILE HD1 H 0.087 0.030 1 950 83 83 ILE HG12 H 0.355 0.030 2 951 83 83 ILE HG13 H 0.907 0.030 2 952 83 83 ILE HG2 H 0.067 0.030 1 953 83 83 ILE C C 173.479 0.300 1 954 83 83 ILE CA C 59.216 0.300 1 955 83 83 ILE CB C 40.777 0.300 1 956 83 83 ILE CD1 C 12.540 0.300 1 957 83 83 ILE CG1 C 27.362 0.300 1 958 83 83 ILE CG2 C 20.427 0.300 1 959 83 83 ILE N N 124.737 0.300 1 960 84 84 SER H H 8.900 0.030 1 961 84 84 SER HA H 5.049 0.030 1 962 84 84 SER HB2 H 3.155 0.030 2 963 84 84 SER HB3 H 3.099 0.030 2 964 84 84 SER C C 174.721 0.300 1 965 84 84 SER CA C 55.821 0.300 1 966 84 84 SER CB C 65.168 0.300 1 967 84 84 SER N N 117.273 0.300 1 968 85 85 ALA H H 8.627 0.030 1 969 85 85 ALA HA H 4.792 0.030 1 970 85 85 ALA HB H 1.547 0.030 1 971 85 85 ALA C C 176.754 0.300 1 972 85 85 ALA CA C 50.106 0.300 1 973 85 85 ALA CB C 21.025 0.300 1 974 85 85 ALA N N 129.885 0.300 1 975 86 86 SER H H 8.410 0.030 1 976 86 86 SER HA H 4.017 0.030 1 977 86 86 SER HB2 H 4.075 0.030 2 978 86 86 SER HB3 H 3.958 0.030 2 979 86 86 SER C C 174.186 0.300 1 980 86 86 SER CA C 61.186 0.300 1 981 86 86 SER CB C 63.466 0.300 1 982 86 86 SER N N 111.184 0.300 1 983 87 87 ASP H H 7.459 0.030 1 984 87 87 ASP HA H 4.814 0.030 1 985 87 87 ASP HB2 H 3.017 0.030 2 986 87 87 ASP HB3 H 2.955 0.030 2 987 87 87 ASP C C 176.359 0.300 1 988 87 87 ASP CA C 54.484 0.300 1 989 87 87 ASP CB C 42.874 0.300 1 990 87 87 ASP N N 114.317 0.300 1 991 88 88 LYS H H 8.656 0.030 1 992 88 88 LYS HA H 3.890 0.030 1 993 88 88 LYS HB2 H 1.876 0.030 1 994 88 88 LYS HB3 H 1.876 0.030 1 995 88 88 LYS HD2 H 1.717 0.030 1 996 88 88 LYS HD3 H 1.717 0.030 1 997 88 88 LYS HE2 H 3.026 0.030 2 998 88 88 LYS HG2 H 1.624 0.030 2 999 88 88 LYS HG3 H 1.508 0.030 2 1000 88 88 LYS C C 178.673 0.300 1 1001 88 88 LYS CA C 60.499 0.300 1 1002 88 88 LYS CB C 32.927 0.300 1 1003 88 88 LYS CD C 29.638 0.300 1 1004 88 88 LYS CE C 41.961 0.300 1 1005 88 88 LYS CG C 26.021 0.300 1 1006 88 88 LYS N N 119.232 0.300 1 1007 89 89 LYS H H 8.282 0.030 1 1008 89 89 LYS HA H 4.105 0.030 1 1009 89 89 LYS HB2 H 1.958 0.030 2 1010 89 89 LYS HB3 H 1.866 0.030 2 1011 89 89 LYS HD2 H 1.694 0.030 1 1012 89 89 LYS HD3 H 1.694 0.030 1 1013 89 89 LYS HE2 H 2.997 0.030 2 1014 89 89 LYS HG2 H 1.469 0.030 2 1015 89 89 LYS HG3 H 1.367 0.030 2 1016 89 89 LYS C C 178.839 0.300 1 1017 89 89 LYS CA C 59.374 0.300 1 1018 89 89 LYS CB C 31.899 0.300 1 1019 89 89 LYS CD C 29.310 0.300 1 1020 89 89 LYS CE C 42.134 0.300 1 1021 89 89 LYS CG C 24.908 0.300 1 1022 89 89 LYS N N 123.392 0.300 1 1023 90 90 LYS H H 8.866 0.030 1 1024 90 90 LYS HA H 4.109 0.030 1 1025 90 90 LYS HB2 H 2.015 0.030 2 1026 90 90 LYS HB3 H 1.886 0.030 2 1027 90 90 LYS HD2 H 1.993 0.030 2 1028 90 90 LYS HD3 H 1.841 0.030 2 1029 90 90 LYS HE2 H 3.149 0.030 1 1030 90 90 LYS HE3 H 3.149 0.030 1 1031 90 90 LYS HG2 H 1.698 0.030 2 1032 90 90 LYS HG3 H 1.841 0.030 2 1033 90 90 LYS C C 179.034 0.300 1 1034 90 90 LYS CA C 59.092 0.300 1 1035 90 90 LYS CB C 32.639 0.300 1 1036 90 90 LYS CD C 28.965 0.300 1 1037 90 90 LYS CE C 41.994 0.300 1 1038 90 90 LYS CG C 25.630 0.300 1 1039 90 90 LYS N N 120.995 0.300 1 1040 91 91 LYS H H 7.919 0.030 1 1041 91 91 LYS HA H 3.739 0.030 1 1042 91 91 LYS HB2 H 2.027 0.030 2 1043 91 91 LYS HB3 H 1.776 0.030 2 1044 91 91 LYS HD2 H 1.417 0.030 2 1045 91 91 LYS HD3 H 1.646 0.030 2 1046 91 91 LYS HE2 H 3.087 0.030 2 1047 91 91 LYS HE3 H 2.839 0.030 2 1048 91 91 LYS HG2 H 1.069 0.030 2 1049 91 91 LYS HG3 H 1.159 0.030 2 1050 91 91 LYS C C 176.197 0.300 1 1051 91 91 LYS CA C 59.902 0.300 1 1052 91 91 LYS CB C 32.598 0.300 1 1053 91 91 LYS CD C 29.973 0.300 1 1054 91 91 LYS CE C 43.202 0.300 1 1055 91 91 LYS CG C 24.906 0.300 1 1056 91 91 LYS N N 118.334 0.300 1 1057 92 92 GLN H H 7.844 0.030 1 1058 92 92 GLN HA H 3.837 0.030 1 1059 92 92 GLN HB2 H 2.188 0.030 1 1060 92 92 GLN HB3 H 2.188 0.030 1 1061 92 92 GLN HE21 H 7.467 0.030 2 1062 92 92 GLN HE22 H 6.827 0.030 2 1063 92 92 GLN HG2 H 2.458 0.030 2 1064 92 92 GLN HG3 H 2.408 0.030 2 1065 92 92 GLN C C 178.536 0.300 1 1066 92 92 GLN CA C 58.899 0.300 1 1067 92 92 GLN CB C 27.912 0.300 1 1068 92 92 GLN CG C 33.584 0.300 1 1069 92 92 GLN N N 117.734 0.300 1 1070 92 92 GLN NE2 N 111.489 0.300 1 1071 93 93 GLU H H 8.498 0.030 1 1072 93 93 GLU HA H 3.898 0.030 1 1073 93 93 GLU HB2 H 2.197 0.030 2 1074 93 93 GLU HB3 H 1.626 0.030 2 1075 93 93 GLU HG2 H 2.127 0.030 2 1076 93 93 GLU HG3 H 2.577 0.030 2 1077 93 93 GLU C C 180.831 0.300 1 1078 93 93 GLU CA C 59.039 0.300 1 1079 93 93 GLU CB C 30.522 0.300 1 1080 93 93 GLU CG C 36.195 0.300 1 1081 93 93 GLU N N 118.276 0.300 1 1082 94 94 TRP H H 8.509 0.030 1 1083 94 94 TRP HA H 3.817 0.030 1 1084 94 94 TRP HB2 H 2.895 0.030 2 1085 94 94 TRP HB3 H 2.709 0.030 2 1086 94 94 TRP HD1 H 7.266 0.030 1 1087 94 94 TRP HE1 H 10.569 0.030 1 1088 94 94 TRP HE3 H 7.292 0.030 1 1089 94 94 TRP HH2 H 6.674 0.030 1 1090 94 94 TRP HZ2 H 6.748 0.030 1 1091 94 94 TRP HZ3 H 6.726 0.030 1 1092 94 94 TRP C C 178.196 0.300 1 1093 94 94 TRP CA C 62.707 0.300 1 1094 94 94 TRP CB C 28.940 0.300 1 1095 94 94 TRP CD1 C 128.083 0.300 1 1096 94 94 TRP CE3 C 118.524 0.300 1 1097 94 94 TRP CH2 C 123.522 0.300 1 1098 94 94 TRP CZ2 C 113.974 0.300 1 1099 94 94 TRP CZ3 C 120.267 0.300 1 1100 94 94 TRP N N 121.400 0.300 1 1101 94 94 TRP NE1 N 130.660 0.300 1 1102 95 95 ILE H H 8.305 0.030 1 1103 95 95 ILE HA H 3.232 0.030 1 1104 95 95 ILE HB H 1.578 0.030 1 1105 95 95 ILE HD1 H 0.637 0.030 1 1106 95 95 ILE HG12 H 0.256 0.030 2 1107 95 95 ILE HG13 H 1.108 0.030 2 1108 95 95 ILE HG2 H 0.706 0.030 1 1109 95 95 ILE C C 177.652 0.300 1 1110 95 95 ILE CA C 66.780 0.300 1 1111 95 95 ILE CB C 37.621 0.300 1 1112 95 95 ILE CD1 C 14.754 0.300 1 1113 95 95 ILE CG1 C 28.919 0.300 1 1114 95 95 ILE CG2 C 16.320 0.300 1 1115 95 95 ILE N N 119.269 0.300 1 1116 96 96 GLN H H 8.097 0.030 1 1117 96 96 GLN HA H 4.008 0.030 1 1118 96 96 GLN HB2 H 2.077 0.030 2 1119 96 96 GLN HB3 H 1.998 0.030 2 1120 96 96 GLN HE21 H 7.395 0.030 2 1121 96 96 GLN HE22 H 6.829 0.030 2 1122 96 96 GLN HG2 H 2.439 0.030 2 1123 96 96 GLN HG3 H 2.357 0.030 2 1124 96 96 GLN C C 178.951 0.300 1 1125 96 96 GLN CA C 58.969 0.300 1 1126 96 96 GLN CB C 28.117 0.300 1 1127 96 96 GLN CG C 33.995 0.300 1 1128 96 96 GLN N N 116.735 0.300 1 1129 96 96 GLN NE2 N 111.834 0.300 1 1130 97 97 ALA H H 8.034 0.030 1 1131 97 97 ALA HA H 4.090 0.030 1 1132 97 97 ALA HB H 1.116 0.030 1 1133 97 97 ALA C C 180.733 0.300 1 1134 97 97 ALA CA C 55.036 0.300 1 1135 97 97 ALA CB C 18.376 0.300 1 1136 97 97 ALA N N 121.771 0.300 1 1137 98 98 ILE H H 8.849 0.030 1 1138 98 98 ILE HA H 3.557 0.030 1 1139 98 98 ILE HB H 1.892 0.030 1 1140 98 98 ILE HD1 H 1.023 0.030 1 1141 98 98 ILE HG12 H 1.014 0.030 2 1142 98 98 ILE HG13 H 2.327 0.030 2 1143 98 98 ILE HG2 H 0.917 0.030 1 1144 98 98 ILE C C 177.392 0.300 1 1145 98 98 ILE CA C 66.303 0.300 1 1146 98 98 ILE CB C 38.536 0.300 1 1147 98 98 ILE CD1 C 14.547 0.300 1 1148 98 98 ILE CG1 C 30.611 0.300 1 1149 98 98 ILE CG2 C 17.962 0.300 1 1150 98 98 ILE N N 120.657 0.300 1 1151 99 99 HIS H H 9.269 0.030 1 1152 99 99 HIS HA H 4.028 0.030 1 1153 99 99 HIS HB2 H 3.140 0.030 1 1154 99 99 HIS HB3 H 3.140 0.030 1 1155 99 99 HIS HD2 H 6.946 0.030 1 1156 99 99 HIS HE1 H 7.701 0.030 1 1157 99 99 HIS C C 178.474 0.300 1 1158 99 99 HIS CA C 61.484 0.300 1 1159 99 99 HIS CB C 31.187 0.300 1 1160 99 99 HIS CD2 C 118.818 0.300 1 1161 99 99 HIS CE1 C 138.942 0.300 1 1162 99 99 HIS N N 121.187 0.300 1 1163 100 100 SER H H 8.487 0.030 1 1164 100 100 SER HA H 4.209 0.030 1 1165 100 100 SER HB2 H 4.045 0.030 1 1166 100 100 SER HB3 H 4.045 0.030 1 1167 100 100 SER C C 176.205 0.300 1 1168 100 100 SER CA C 61.913 0.300 1 1169 100 100 SER CB C 62.855 0.300 1 1170 100 100 SER N N 113.810 0.300 1 1171 101 101 THR H H 7.688 0.030 1 1172 101 101 THR HA H 3.969 0.030 1 1173 101 101 THR HB H 4.288 0.030 1 1174 101 101 THR HG2 H 1.217 0.030 1 1175 101 101 THR C C 177.267 0.300 1 1176 101 101 THR CA C 67.393 0.300 1 1177 101 101 THR CB C 68.601 0.300 1 1178 101 101 THR CG2 C 22.807 0.300 1 1179 101 101 THR N N 119.355 0.300 1 1180 102 102 ILE H H 8.233 0.030 1 1181 102 102 ILE HA H 3.465 0.030 1 1182 102 102 ILE HB H 1.742 0.030 1 1183 102 102 ILE HD1 H 0.657 0.030 1 1184 102 102 ILE HG12 H 0.795 0.030 2 1185 102 102 ILE HG13 H 1.808 0.030 2 1186 102 102 ILE HG2 H 0.908 0.030 1 1187 102 102 ILE C C 177.713 0.300 1 1188 102 102 ILE CA C 65.748 0.300 1 1189 102 102 ILE CB C 38.434 0.300 1 1190 102 102 ILE CD1 C 14.512 0.300 1 1191 102 102 ILE CG1 C 29.587 0.300 1 1192 102 102 ILE CG2 C 17.649 0.300 1 1193 102 102 ILE N N 123.048 0.300 1 1194 103 103 HIS H H 8.361 0.030 1 1195 103 103 HIS HA H 4.093 0.030 1 1196 103 103 HIS HB2 H 3.232 0.030 2 1197 103 103 HIS HB3 H 2.869 0.030 2 1198 103 103 HIS HD2 H 6.889 0.030 1 1199 103 103 HIS HE1 H 7.778 0.030 1 1200 103 103 HIS C C 177.612 0.300 1 1201 103 103 HIS CA C 60.235 0.300 1 1202 103 103 HIS CB C 30.173 0.300 1 1203 103 103 HIS CD2 C 119.283 0.300 1 1204 103 103 HIS CE1 C 138.228 0.300 1 1205 103 103 HIS N N 119.976 0.300 1 1206 104 104 LEU H H 7.707 0.030 1 1207 104 104 LEU HA H 3.996 0.030 1 1208 104 104 LEU HB2 H 1.847 0.030 2 1209 104 104 LEU HB3 H 1.556 0.030 2 1210 104 104 LEU HD1 H 0.948 0.030 1 1211 104 104 LEU HD2 H 0.907 0.030 1 1212 104 104 LEU HG H 1.875 0.030 1 1213 104 104 LEU C C 180.347 0.300 1 1214 104 104 LEU CA C 57.826 0.300 1 1215 104 104 LEU CB C 41.558 0.300 1 1216 104 104 LEU CD1 C 25.117 0.300 2 1217 104 104 LEU CD2 C 23.309 0.300 2 1218 104 104 LEU CG C 27.356 0.300 1 1219 104 104 LEU N N 117.624 0.300 1 1220 105 105 LEU H H 7.607 0.030 1 1221 105 105 LEU HA H 4.167 0.030 1 1222 105 105 LEU HB2 H 2.061 0.030 2 1223 105 105 LEU HB3 H 1.417 0.030 2 1224 105 105 LEU HD1 H 0.725 0.030 1 1225 105 105 LEU HD2 H 0.859 0.030 1 1226 105 105 LEU HG H 1.965 0.030 1 1227 105 105 LEU C C 179.747 0.300 1 1228 105 105 LEU CA C 57.299 0.300 1 1229 105 105 LEU CB C 40.736 0.300 1 1230 105 105 LEU CD1 C 26.021 0.300 2 1231 105 105 LEU CD2 C 22.322 0.300 2 1232 105 105 LEU CG C 26.152 0.300 1 1233 105 105 LEU N N 120.458 0.300 1 1234 106 106 LYS H H 8.032 0.030 1 1235 106 106 LYS HA H 4.030 0.030 1 1236 106 106 LYS HB2 H 1.916 0.030 1 1237 106 106 LYS HB3 H 1.916 0.030 1 1238 106 106 LYS HD2 H 1.677 0.030 1 1239 106 106 LYS HD3 H 1.677 0.030 1 1240 106 106 LYS HE2 H 2.987 0.030 1 1241 106 106 LYS HE3 H 2.987 0.030 1 1242 106 106 LYS HG2 H 1.509 0.030 2 1243 106 106 LYS HG3 H 1.597 0.030 2 1244 106 106 LYS C C 178.768 0.300 1 1245 106 106 LYS CA C 58.934 0.300 1 1246 106 106 LYS CB C 32.392 0.300 1 1247 106 106 LYS CD C 29.556 0.300 1 1248 106 106 LYS CE C 42.271 0.300 1 1249 106 106 LYS CG C 25.610 0.300 1 1250 106 106 LYS N N 120.414 0.300 1 1251 107 107 LEU H H 7.989 0.030 1 1252 107 107 LEU HA H 4.097 0.030 1 1253 107 107 LEU HB2 H 1.690 0.030 2 1254 107 107 LEU HB3 H 1.537 0.030 2 1255 107 107 LEU HD1 H 0.787 0.030 1 1256 107 107 LEU HD2 H 0.777 0.030 1 1257 107 107 LEU HG H 1.527 0.030 1 1258 107 107 LEU C C 179.013 0.300 1 1259 107 107 LEU CA C 56.595 0.300 1 1260 107 107 LEU CB C 42.011 0.300 1 1261 107 107 LEU CD1 C 25.035 0.300 2 1262 107 107 LEU CD2 C 22.905 0.300 2 1263 107 107 LEU CG C 26.541 0.300 1 1264 107 107 LEU N N 120.057 0.300 1 1265 108 108 GLY H H 7.926 0.030 1 1266 108 108 GLY HA2 H 3.996 0.030 2 1267 108 108 GLY HA3 H 3.907 0.030 2 1268 108 108 GLY C C 174.556 0.300 1 1269 108 108 GLY CA C 45.744 0.300 1 1270 108 108 GLY N N 106.613 0.300 1 1271 109 109 SER H H 7.896 0.030 1 1272 109 109 SER HA H 4.505 0.030 1 1273 109 109 SER HB2 H 3.934 0.030 2 1274 109 109 SER HB3 H 3.875 0.030 2 1275 109 109 SER C C 174.753 0.300 1 1276 109 109 SER CA C 58.419 0.300 1 1277 109 109 SER CB C 63.877 0.300 1 1278 109 109 SER N N 115.290 0.300 1 1279 110 110 SER H H 8.277 0.030 1 1280 110 110 SER HA H 4.537 0.030 1 1281 110 110 SER HB2 H 3.925 0.030 1 1282 110 110 SER HB3 H 3.925 0.030 1 1283 110 110 SER CA C 58.739 0.300 1 1284 110 110 SER CB C 64.000 0.300 1 1285 110 110 SER N N 117.409 0.300 1 1286 111 111 GLY H H 8.214 0.030 1 1287 111 111 GLY HA2 H 4.117 0.030 1 1288 111 111 GLY HA3 H 4.117 0.030 1 1289 111 111 GLY CA C 44.831 0.300 1 1290 111 111 GLY N N 110.581 0.300 1 1291 112 112 PRO HA H 4.468 0.030 1 1292 112 112 PRO HB2 H 2.280 0.030 2 1293 112 112 PRO HB3 H 1.970 0.030 2 1294 112 112 PRO HD2 H 3.627 0.030 1 1295 112 112 PRO HD3 H 3.627 0.030 1 1296 112 112 PRO HG2 H 2.006 0.030 1 1297 112 112 PRO HG3 H 2.006 0.030 1 1298 112 112 PRO C C 177.393 0.300 1 1299 112 112 PRO CA C 63.225 0.300 1 1300 112 112 PRO CB C 32.105 0.300 1 1301 112 112 PRO CD C 49.871 0.300 1 1302 112 112 PRO CG C 27.164 0.300 1 1303 113 113 SER H H 8.520 0.030 1 1304 113 113 SER C C 174.738 0.300 1 1305 113 113 SER CA C 58.371 0.300 1 1306 113 113 SER CB C 64.083 0.300 1 1307 113 113 SER N N 116.361 0.300 1 1308 114 114 SER H H 7.325 0.030 1 stop_ save_