data_10264 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; The solution structure of the VHS domain of human Signal transducing adaptor molecule 2 ; _BMRB_accession_number 10264 _BMRB_flat_file_name bmr10264.str _Entry_type original _Submission_date 2008-12-03 _Accession_date 2008-12-04 _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 Tochio N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 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" 880 "13C chemical shifts" 703 "15N chemical shifts" 162 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 ; The solution structure of the VHS domain of human Signal transducing adaptor molecule 2 ; _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 Tochio N. . . 2 Koshiba S. . . 3 Inoue M. . . 4 Kigawa T. . . 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 'signal transducing adaptor molecule 2' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'VHS 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 'VHS domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 163 _Mol_residue_sequence ; GSSGSSGMPLFTANPFEQDV EKATNEYNTTEDWSLIMDIC DKVGSTPNGAKDCLKAIMKR VNHKVPHVALQALTLLGACV ANCGKIFHLEVCSRDFATEV RAVIKNKAHPKVCEKLKSLM VEWSEEFQKDPQFSLISATI KSMKEEGITFPPAGSQTSGP SSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 MET 9 PRO 10 LEU 11 PHE 12 THR 13 ALA 14 ASN 15 PRO 16 PHE 17 GLU 18 GLN 19 ASP 20 VAL 21 GLU 22 LYS 23 ALA 24 THR 25 ASN 26 GLU 27 TYR 28 ASN 29 THR 30 THR 31 GLU 32 ASP 33 TRP 34 SER 35 LEU 36 ILE 37 MET 38 ASP 39 ILE 40 CYS 41 ASP 42 LYS 43 VAL 44 GLY 45 SER 46 THR 47 PRO 48 ASN 49 GLY 50 ALA 51 LYS 52 ASP 53 CYS 54 LEU 55 LYS 56 ALA 57 ILE 58 MET 59 LYS 60 ARG 61 VAL 62 ASN 63 HIS 64 LYS 65 VAL 66 PRO 67 HIS 68 VAL 69 ALA 70 LEU 71 GLN 72 ALA 73 LEU 74 THR 75 LEU 76 LEU 77 GLY 78 ALA 79 CYS 80 VAL 81 ALA 82 ASN 83 CYS 84 GLY 85 LYS 86 ILE 87 PHE 88 HIS 89 LEU 90 GLU 91 VAL 92 CYS 93 SER 94 ARG 95 ASP 96 PHE 97 ALA 98 THR 99 GLU 100 VAL 101 ARG 102 ALA 103 VAL 104 ILE 105 LYS 106 ASN 107 LYS 108 ALA 109 HIS 110 PRO 111 LYS 112 VAL 113 CYS 114 GLU 115 LYS 116 LEU 117 LYS 118 SER 119 LEU 120 MET 121 VAL 122 GLU 123 TRP 124 SER 125 GLU 126 GLU 127 PHE 128 GLN 129 LYS 130 ASP 131 PRO 132 GLN 133 PHE 134 SER 135 LEU 136 ILE 137 SER 138 ALA 139 THR 140 ILE 141 LYS 142 SER 143 MET 144 LYS 145 GLU 146 GLU 147 GLY 148 ILE 149 THR 150 PHE 151 PRO 152 PRO 153 ALA 154 GLY 155 SER 156 GLN 157 THR 158 SER 159 GLY 160 PRO 161 SER 162 SER 163 GLY stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-09-23 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 BMRB 18185 VHS-UIM_domains_of_STAM2 94.48 192 97.40 98.05 4.55e-107 PDB 1X5B "The Solution Structure Of The Vhs Domain Of Human Signal Transducing Adaptor Molecule 2" 100.00 163 100.00 100.00 2.02e-116 PDB 2L0T "Solution Structure Of The Complex Of Ubiquitin And The Vhs Domain Of Stam2" 100.00 163 100.00 100.00 2.02e-116 DBJ BAF84954 "unnamed protein product [Homo sapiens]" 92.02 525 100.00 100.00 1.60e-104 DBJ BAF85536 "unnamed protein product [Homo sapiens]" 92.02 525 100.00 100.00 1.60e-104 DBJ BAG72771 "signal transducing adaptor molecule (SH3 domain and ITAM motif) 2 [synthetic construct]" 92.02 525 98.67 98.67 4.56e-102 DBJ BAK62690 "signal transducing adapter molecule 2 [Pan troglodytes]" 92.02 525 100.00 100.00 2.31e-104 EMBL CAB63735 "hypothetical protein [Homo sapiens]" 92.02 525 98.67 98.67 4.56e-102 EMBL CAL38297 "hypothetical protein [synthetic construct]" 92.02 525 98.67 98.67 4.56e-102 GB AAC63963 "signal transducing adaptor molecule 2A [Homo sapiens]" 92.02 525 100.00 100.00 1.60e-104 GB AAC63964 "signal transducing adaptor molecule 2B [Homo sapiens]" 92.02 342 100.00 100.00 8.51e-106 GB AAH28740 "Signal transducing adaptor molecule (SH3 domain and ITAM motif) 2 [Homo sapiens]" 92.02 525 100.00 100.00 1.60e-104 GB AAH83912 "Signal transducing adaptor molecule (SH3 domain and ITAM motif) 2 [Rattus norvegicus]" 92.02 523 97.33 99.33 8.51e-102 GB AAI12605 "Signal transducing adaptor molecule (SH3 domain and ITAM motif) 2 [Bos taurus]" 92.02 525 99.33 100.00 6.72e-104 REF NP_001012085 "signal transducing adapter molecule 2 [Rattus norvegicus]" 92.02 523 97.33 99.33 8.51e-102 REF NP_001069574 "signal transducing adapter molecule 2 [Bos taurus]" 92.02 525 99.33 100.00 6.72e-104 REF NP_001267210 "signal transducing adapter molecule 2 [Pan troglodytes]" 92.02 525 100.00 100.00 2.31e-104 REF NP_005834 "signal transducing adapter molecule 2 [Homo sapiens]" 92.02 525 100.00 100.00 1.60e-104 REF XP_002749486 "PREDICTED: signal transducing adapter molecule 2 [Callithrix jacchus]" 91.41 525 100.00 100.00 1.01e-103 SP O75886 "RecName: Full=Signal transducing adapter molecule 2; Short=STAM-2; AltName: Full=Hrs-binding protein" 92.02 525 100.00 100.00 1.60e-104 SP Q5XHY7 "RecName: Full=Signal transducing adapter molecule 2; Short=STAM-2" 92.02 523 97.33 99.33 8.51e-102 TPG DAA32691 "TPA: signal transducing adaptor molecule (SH3 domain and ITAM motif) 2 [Bos taurus]" 92.02 436 99.33 100.00 4.01e-104 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 P040607-06 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 1.5 mM '[U-13C; U-15N]' 'd-Tris HCl' 20 mM 'natural abundance' NaCl 100 mM 'natural abundance' d-DTT 5 mM 'natural abundance' NaN3 0.02 % 'natural abundance' 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 20031121 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 0.926 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_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 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 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 'VHS 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 2 2 SER HA H 4.491 0.030 1 2 2 2 SER HB2 H 3.896 0.030 2 3 2 2 SER C C 174.669 0.300 1 4 2 2 SER CA C 58.336 0.300 1 5 2 2 SER CB C 63.720 0.300 1 6 3 3 SER H H 8.324 0.030 1 7 3 3 SER HA H 4.475 0.030 1 8 3 3 SER HB2 H 3.886 0.030 2 9 3 3 SER C C 173.940 0.300 1 10 3 3 SER CA C 58.336 0.300 1 11 3 3 SER CB C 64.201 0.300 1 12 3 3 SER N N 117.839 0.300 1 13 4 4 GLY H H 8.043 0.030 1 14 4 4 GLY C C 179.005 0.300 1 15 4 4 GLY CA C 46.240 0.300 1 16 4 4 GLY N N 116.840 0.300 1 17 6 6 SER HA H 4.461 0.030 1 18 6 6 SER HB2 H 3.900 0.030 2 19 6 6 SER C C 174.952 0.300 1 20 6 6 SER CA C 58.747 0.300 1 21 6 6 SER CB C 63.858 0.300 1 22 7 7 GLY H H 8.392 0.030 1 23 7 7 GLY HA2 H 3.939 0.030 1 24 7 7 GLY HA3 H 3.939 0.030 1 25 7 7 GLY C C 173.818 0.300 1 26 7 7 GLY CA C 45.202 0.300 1 27 7 7 GLY N N 110.599 0.300 1 28 8 8 MET H H 8.094 0.030 1 29 8 8 MET C C 174.197 0.300 1 30 8 8 MET CA C 53.324 0.300 1 31 8 8 MET CB C 32.435 0.300 1 32 8 8 MET N N 121.028 0.300 1 33 9 9 PRO HA H 4.362 0.030 1 34 9 9 PRO HB2 H 2.208 0.030 2 35 9 9 PRO HB3 H 1.765 0.030 2 36 9 9 PRO HD2 H 3.818 0.030 2 37 9 9 PRO HD3 H 3.638 0.030 2 38 9 9 PRO HG2 H 2.003 0.030 2 39 9 9 PRO C C 176.512 0.300 1 40 9 9 PRO CA C 62.973 0.300 1 41 9 9 PRO CB C 32.063 0.300 1 42 9 9 PRO CD C 50.659 0.300 1 43 9 9 PRO CG C 27.353 0.300 1 44 10 10 LEU H H 8.269 0.030 1 45 10 10 LEU HA H 4.237 0.030 1 46 10 10 LEU HB2 H 1.530 0.030 2 47 10 10 LEU HB3 H 1.430 0.030 2 48 10 10 LEU HD1 H 0.893 0.030 1 49 10 10 LEU HD2 H 0.838 0.030 1 50 10 10 LEU HG H 1.558 0.030 1 51 10 10 LEU C C 177.018 0.300 1 52 10 10 LEU CA C 55.162 0.300 1 53 10 10 LEU CB C 42.528 0.300 1 54 10 10 LEU CD1 C 24.784 0.300 2 55 10 10 LEU CD2 C 23.609 0.300 2 56 10 10 LEU CG C 27.067 0.300 1 57 10 10 LEU N N 122.172 0.300 1 58 11 11 PHE H H 8.182 0.030 1 59 11 11 PHE HA H 4.692 0.030 1 60 11 11 PHE HB2 H 3.109 0.030 2 61 11 11 PHE HB3 H 3.020 0.030 2 62 11 11 PHE HD1 H 7.222 0.030 1 63 11 11 PHE HD2 H 7.222 0.030 1 64 11 11 PHE HE1 H 7.321 0.030 1 65 11 11 PHE HE2 H 7.321 0.030 1 66 11 11 PHE HZ H 7.286 0.030 1 67 11 11 PHE C C 175.459 0.300 1 68 11 11 PHE CA C 57.423 0.300 1 69 11 11 PHE CB C 39.823 0.300 1 70 11 11 PHE CD1 C 131.721 0.300 1 71 11 11 PHE CD2 C 131.721 0.300 1 72 11 11 PHE CE1 C 131.275 0.300 1 73 11 11 PHE CE2 C 131.275 0.300 1 74 11 11 PHE CZ C 129.791 0.300 1 75 11 11 PHE N N 120.861 0.300 1 76 12 12 THR H H 8.052 0.030 1 77 12 12 THR HA H 4.245 0.030 1 78 12 12 THR HB H 4.089 0.030 1 79 12 12 THR HG2 H 1.141 0.030 1 80 12 12 THR C C 173.575 0.300 1 81 12 12 THR CA C 61.304 0.300 1 82 12 12 THR CB C 70.026 0.300 1 83 12 12 THR CG2 C 21.524 0.300 1 84 12 12 THR N N 116.855 0.300 1 85 13 13 ALA H H 8.249 0.030 1 86 13 13 ALA HA H 4.218 0.030 1 87 13 13 ALA HB H 1.338 0.030 1 88 13 13 ALA C C 177.120 0.300 1 89 13 13 ALA CA C 52.224 0.300 1 90 13 13 ALA CB C 19.351 0.300 1 91 13 13 ALA N N 126.805 0.300 1 92 14 14 ASN H H 8.610 0.030 1 93 14 14 ASN HA H 4.923 0.030 1 94 14 14 ASN HB2 H 3.028 0.030 2 95 14 14 ASN HB3 H 2.848 0.030 2 96 14 14 ASN HD21 H 7.954 0.030 2 97 14 14 ASN C C 175.854 0.300 1 98 14 14 ASN CA C 50.888 0.300 1 99 14 14 ASN CB C 39.252 0.300 1 100 14 14 ASN N N 120.890 0.300 1 101 14 14 ASN ND2 N 112.468 0.300 1 102 15 15 PRO HA H 4.393 0.030 1 103 15 15 PRO HB2 H 2.252 0.030 2 104 15 15 PRO HB3 H 1.741 0.030 2 105 15 15 PRO HD2 H 3.884 0.030 2 106 15 15 PRO HD3 H 4.003 0.030 2 107 15 15 PRO HG2 H 2.085 0.030 2 108 15 15 PRO HG3 H 1.978 0.030 2 109 15 15 PRO C C 177.201 0.300 1 110 15 15 PRO CA C 64.425 0.300 1 111 15 15 PRO CB C 32.117 0.300 1 112 15 15 PRO CD C 51.563 0.300 1 113 15 15 PRO CG C 27.201 0.300 1 114 16 16 PHE H H 8.869 0.030 1 115 16 16 PHE HA H 4.321 0.030 1 116 16 16 PHE HB2 H 3.095 0.030 2 117 16 16 PHE HD1 H 7.211 0.030 1 118 16 16 PHE HD2 H 7.211 0.030 1 119 16 16 PHE HE1 H 7.482 0.030 1 120 16 16 PHE HE2 H 7.482 0.030 1 121 16 16 PHE HZ H 6.986 0.030 1 122 16 16 PHE C C 175.925 0.300 1 123 16 16 PHE CA C 59.864 0.300 1 124 16 16 PHE CB C 39.836 0.300 1 125 16 16 PHE CD1 C 131.210 0.300 1 126 16 16 PHE CD2 C 131.210 0.300 1 127 16 16 PHE CE1 C 131.865 0.300 1 128 16 16 PHE CE2 C 131.865 0.300 1 129 16 16 PHE CZ C 129.567 0.300 1 130 16 16 PHE N N 116.122 0.300 1 131 17 17 GLU H H 7.594 0.030 1 132 17 17 GLU HA H 3.731 0.030 1 133 17 17 GLU HB2 H 2.145 0.030 1 134 17 17 GLU HB3 H 2.145 0.030 1 135 17 17 GLU HG2 H 2.257 0.030 1 136 17 17 GLU HG3 H 2.257 0.030 1 137 17 17 GLU C C 177.950 0.300 1 138 17 17 GLU CA C 61.568 0.300 1 139 17 17 GLU CB C 30.356 0.300 1 140 17 17 GLU CG C 36.675 0.300 1 141 17 17 GLU N N 120.588 0.300 1 142 18 18 GLN H H 8.502 0.030 1 143 18 18 GLN HA H 4.064 0.030 1 144 18 18 GLN HB2 H 2.043 0.030 1 145 18 18 GLN HB3 H 2.043 0.030 1 146 18 18 GLN HE21 H 7.616 0.030 2 147 18 18 GLN HE22 H 6.845 0.030 2 148 18 18 GLN HG2 H 2.392 0.030 2 149 18 18 GLN HG3 H 2.328 0.030 2 150 18 18 GLN C C 178.902 0.300 1 151 18 18 GLN CA C 59.625 0.300 1 152 18 18 GLN CB C 28.148 0.300 1 153 18 18 GLN CG C 34.479 0.300 1 154 18 18 GLN N N 118.090 0.300 1 155 18 18 GLN NE2 N 112.674 0.300 1 156 19 19 ASP H H 8.509 0.030 1 157 19 19 ASP HA H 4.407 0.030 1 158 19 19 ASP HB2 H 2.465 0.030 1 159 19 19 ASP HB3 H 2.465 0.030 1 160 19 19 ASP C C 178.456 0.300 1 161 19 19 ASP CA C 57.568 0.300 1 162 19 19 ASP CB C 40.586 0.300 1 163 19 19 ASP N N 121.193 0.300 1 164 20 20 VAL H H 8.504 0.030 1 165 20 20 VAL HA H 3.386 0.030 1 166 20 20 VAL HB H 2.105 0.030 1 167 20 20 VAL HG1 H 0.711 0.030 1 168 20 20 VAL HG2 H 1.114 0.030 1 169 20 20 VAL C C 179.287 0.300 1 170 20 20 VAL CA C 66.876 0.300 1 171 20 20 VAL CB C 31.280 0.300 1 172 20 20 VAL CG1 C 21.518 0.300 2 173 20 20 VAL CG2 C 24.500 0.300 2 174 20 20 VAL N N 118.877 0.300 1 175 21 21 GLU H H 8.515 0.030 1 176 21 21 GLU HA H 3.467 0.030 1 177 21 21 GLU HB2 H 2.111 0.030 1 178 21 21 GLU HB3 H 2.111 0.030 1 179 21 21 GLU HG2 H 2.418 0.030 2 180 21 21 GLU HG3 H 2.009 0.030 2 181 21 21 GLU C C 178.396 0.300 1 182 21 21 GLU CA C 61.039 0.300 1 183 21 21 GLU CB C 28.515 0.300 1 184 21 21 GLU CG C 36.713 0.300 1 185 21 21 GLU N N 124.311 0.300 1 186 22 22 LYS H H 7.796 0.030 1 187 22 22 LYS HA H 4.020 0.030 1 188 22 22 LYS HB2 H 2.000 0.030 2 189 22 22 LYS HD2 H 1.731 0.030 2 190 22 22 LYS HE2 H 2.984 0.030 2 191 22 22 LYS HG2 H 1.606 0.030 2 192 22 22 LYS HG3 H 1.419 0.030 2 193 22 22 LYS C C 179.935 0.300 1 194 22 22 LYS CA C 59.919 0.300 1 195 22 22 LYS CB C 32.475 0.300 1 196 22 22 LYS CD C 29.432 0.300 1 197 22 22 LYS CE C 42.137 0.300 1 198 22 22 LYS CG C 25.235 0.300 1 199 22 22 LYS N N 119.431 0.300 1 200 23 23 ALA H H 8.216 0.030 1 201 23 23 ALA HA H 4.120 0.030 1 202 23 23 ALA HB H 1.302 0.030 1 203 23 23 ALA C C 176.451 0.300 1 204 23 23 ALA CA C 53.635 0.300 1 205 23 23 ALA CB C 18.878 0.300 1 206 23 23 ALA N N 119.810 0.300 1 207 24 24 THR H H 7.265 0.030 1 208 24 24 THR HA H 4.280 0.030 1 209 24 24 THR HB H 4.689 0.030 1 210 24 24 THR HG2 H 0.815 0.030 1 211 24 24 THR C C 172.583 0.300 1 212 24 24 THR CA C 59.070 0.300 1 213 24 24 THR CB C 69.590 0.300 1 214 24 24 THR CG2 C 20.479 0.300 1 215 24 24 THR N N 104.439 0.300 1 216 25 25 ASN H H 6.526 0.030 1 217 25 25 ASN HA H 4.049 0.030 1 218 25 25 ASN HB2 H 2.991 0.030 2 219 25 25 ASN HB3 H 2.579 0.030 2 220 25 25 ASN HD21 H 7.919 0.030 2 221 25 25 ASN HD22 H 7.187 0.030 2 222 25 25 ASN C C 177.160 0.300 1 223 25 25 ASN CA C 55.427 0.300 1 224 25 25 ASN CB C 40.741 0.300 1 225 25 25 ASN N N 122.175 0.300 1 226 25 25 ASN ND2 N 115.155 0.300 1 227 26 26 GLU H H 9.378 0.030 1 228 26 26 GLU HA H 3.532 0.030 1 229 26 26 GLU HB2 H 1.764 0.030 2 230 26 26 GLU HB3 H 1.444 0.030 2 231 26 26 GLU HG2 H 1.622 0.030 2 232 26 26 GLU HG3 H 1.500 0.030 2 233 26 26 GLU C C 175.277 0.300 1 234 26 26 GLU CA C 59.276 0.300 1 235 26 26 GLU CB C 29.707 0.300 1 236 26 26 GLU CG C 35.433 0.300 1 237 26 26 GLU N N 127.071 0.300 1 238 27 27 TYR H H 8.292 0.030 1 239 27 27 TYR HA H 4.614 0.030 1 240 27 27 TYR HB2 H 3.362 0.030 2 241 27 27 TYR HB3 H 2.798 0.030 2 242 27 27 TYR HD1 H 7.223 0.030 1 243 27 27 TYR HD2 H 7.223 0.030 1 244 27 27 TYR HE1 H 6.840 0.030 1 245 27 27 TYR HE2 H 6.840 0.030 1 246 27 27 TYR C C 176.471 0.300 1 247 27 27 TYR CA C 57.396 0.300 1 248 27 27 TYR CB C 37.282 0.300 1 249 27 27 TYR CD1 C 132.957 0.300 1 250 27 27 TYR CD2 C 132.957 0.300 1 251 27 27 TYR CE1 C 118.379 0.300 1 252 27 27 TYR CE2 C 118.379 0.300 1 253 27 27 TYR N N 116.250 0.300 1 254 28 28 ASN H H 7.567 0.030 1 255 28 28 ASN HA H 4.782 0.030 1 256 28 28 ASN HB2 H 3.074 0.030 2 257 28 28 ASN HB3 H 2.839 0.030 2 258 28 28 ASN HD21 H 7.750 0.030 2 259 28 28 ASN HD22 H 6.725 0.030 2 260 28 28 ASN C C 177.429 0.300 1 261 28 28 ASN CA C 53.676 0.300 1 262 28 28 ASN CB C 37.921 0.300 1 263 28 28 ASN N N 119.929 0.300 1 264 28 28 ASN ND2 N 109.758 0.300 1 265 29 29 THR H H 9.145 0.030 1 266 29 29 THR HA H 4.410 0.030 1 267 29 29 THR HB H 4.361 0.030 1 268 29 29 THR HG2 H 1.246 0.030 1 269 29 29 THR C C 174.466 0.300 1 270 29 29 THR CA C 62.425 0.300 1 271 29 29 THR CB C 69.341 0.300 1 272 29 29 THR CG2 C 21.944 0.300 1 273 30 30 THR H H 7.620 0.030 1 274 30 30 THR HA H 4.507 0.030 1 275 30 30 THR HB H 4.195 0.030 1 276 30 30 THR HG2 H 1.159 0.030 1 277 30 30 THR C C 173.211 0.300 1 278 30 30 THR CA C 60.187 0.300 1 279 30 30 THR CB C 70.639 0.300 1 280 30 30 THR CG2 C 20.330 0.300 1 281 30 30 THR N N 114.679 0.300 1 282 31 31 GLU H H 8.710 0.030 1 283 31 31 GLU HA H 4.163 0.030 1 284 31 31 GLU HB2 H 1.906 0.030 2 285 31 31 GLU HB3 H 1.275 0.030 2 286 31 31 GLU HG2 H 2.213 0.030 2 287 31 31 GLU HG3 H 2.149 0.030 2 288 31 31 GLU C C 175.702 0.300 1 289 31 31 GLU CA C 57.249 0.300 1 290 31 31 GLU CB C 30.003 0.300 1 291 31 31 GLU CG C 36.842 0.300 1 292 31 31 GLU N N 123.518 0.300 1 293 32 32 ASP H H 8.843 0.030 1 294 32 32 ASP HA H 4.832 0.030 1 295 32 32 ASP HB2 H 2.949 0.030 2 296 32 32 ASP HB3 H 2.483 0.030 2 297 32 32 ASP C C 176.390 0.300 1 298 32 32 ASP CA C 52.018 0.300 1 299 32 32 ASP CB C 40.092 0.300 1 300 32 32 ASP N N 123.897 0.300 1 301 33 33 TRP H H 8.597 0.030 1 302 33 33 TRP HA H 4.108 0.030 1 303 33 33 TRP HB2 H 3.404 0.030 2 304 33 33 TRP HB3 H 3.127 0.030 2 305 33 33 TRP HD1 H 7.297 0.030 1 306 33 33 TRP HE1 H 10.358 0.030 1 307 33 33 TRP HE3 H 7.446 0.030 1 308 33 33 TRP HH2 H 7.130 0.030 1 309 33 33 TRP HZ2 H 7.398 0.030 1 310 33 33 TRP HZ3 H 6.941 0.030 1 311 33 33 TRP C C 178.286 0.300 1 312 33 33 TRP CA C 61.078 0.300 1 313 33 33 TRP CB C 28.527 0.300 1 314 33 33 TRP CD1 C 126.613 0.300 1 315 33 33 TRP CE3 C 120.054 0.300 1 316 33 33 TRP CH2 C 124.188 0.300 1 317 33 33 TRP CZ2 C 114.794 0.300 1 318 33 33 TRP CZ3 C 121.730 0.300 1 319 33 33 TRP N N 124.644 0.300 1 320 33 33 TRP NE1 N 129.401 0.300 1 321 34 34 SER H H 8.407 0.030 1 322 34 34 SER HA H 4.007 0.030 1 323 34 34 SER HB2 H 4.282 0.030 1 324 34 34 SER HB3 H 4.282 0.030 1 325 34 34 SER C C 176.471 0.300 1 326 34 34 SER CA C 62.232 0.300 1 327 34 34 SER CB C 61.934 0.300 1 328 34 34 SER N N 117.158 0.300 1 329 35 35 LEU H H 7.255 0.030 1 330 35 35 LEU HA H 4.200 0.030 1 331 35 35 LEU HB2 H 1.734 0.030 2 332 35 35 LEU HB3 H 1.530 0.030 2 333 35 35 LEU HD1 H 0.944 0.030 1 334 35 35 LEU HD2 H 0.920 0.030 1 335 35 35 LEU HG H 1.449 0.030 1 336 35 35 LEU C C 178.801 0.300 1 337 35 35 LEU CA C 57.190 0.300 1 338 35 35 LEU CB C 41.370 0.300 1 339 35 35 LEU CD1 C 23.346 0.300 2 340 35 35 LEU CD2 C 25.527 0.300 2 341 35 35 LEU CG C 27.523 0.300 1 342 35 35 LEU N N 123.975 0.300 1 343 36 36 ILE H H 7.878 0.030 1 344 36 36 ILE HA H 3.256 0.030 1 345 36 36 ILE HB H 1.502 0.030 1 346 36 36 ILE HD1 H -0.235 0.030 1 347 36 36 ILE HG12 H 1.485 0.030 2 348 36 36 ILE HG13 H 0.544 0.030 2 349 36 36 ILE HG2 H 0.493 0.030 1 350 36 36 ILE C C 178.031 0.300 1 351 36 36 ILE CA C 66.434 0.300 1 352 36 36 ILE CB C 37.694 0.300 1 353 36 36 ILE CD1 C 11.348 0.300 1 354 36 36 ILE CG1 C 29.415 0.300 1 355 36 36 ILE CG2 C 16.984 0.300 1 356 36 36 ILE N N 118.541 0.300 1 357 37 37 MET H H 8.192 0.030 1 358 37 37 MET HA H 4.381 0.030 1 359 37 37 MET HB2 H 2.239 0.030 2 360 37 37 MET HB3 H 2.146 0.030 2 361 37 37 MET HE H 2.053 0.030 1 362 37 37 MET HG2 H 2.879 0.030 1 363 37 37 MET HG3 H 2.879 0.030 1 364 37 37 MET C C 178.882 0.300 1 365 37 37 MET CA C 57.072 0.300 1 366 37 37 MET CB C 29.850 0.300 1 367 37 37 MET CE C 16.433 0.300 1 368 37 37 MET CG C 32.544 0.300 1 369 37 37 MET N N 116.453 0.300 1 370 38 38 ASP H H 7.938 0.030 1 371 38 38 ASP HA H 4.426 0.030 1 372 38 38 ASP HB2 H 2.936 0.030 2 373 38 38 ASP HB3 H 2.690 0.030 2 374 38 38 ASP C C 179.469 0.300 1 375 38 38 ASP CA C 57.733 0.300 1 376 38 38 ASP CB C 40.559 0.300 1 377 38 38 ASP N N 122.253 0.300 1 378 39 39 ILE H H 8.244 0.030 1 379 39 39 ILE HA H 3.600 0.030 1 380 39 39 ILE HB H 2.038 0.030 1 381 39 39 ILE HD1 H 0.645 0.030 1 382 39 39 ILE HG12 H 1.976 0.030 2 383 39 39 ILE HG13 H 0.853 0.030 2 384 39 39 ILE HG2 H 0.840 0.030 1 385 39 39 ILE C C 177.788 0.300 1 386 39 39 ILE CA C 66.499 0.300 1 387 39 39 ILE CB C 37.556 0.300 1 388 39 39 ILE CD1 C 14.814 0.300 1 389 39 39 ILE CG1 C 30.028 0.300 1 390 39 39 ILE CG2 C 18.154 0.300 1 391 39 39 ILE N N 121.778 0.300 1 392 40 40 CYS H H 8.050 0.030 1 393 40 40 CYS HA H 3.687 0.030 1 394 40 40 CYS HB2 H 3.220 0.030 2 395 40 40 CYS HB3 H 2.684 0.030 2 396 40 40 CYS C C 177.910 0.300 1 397 40 40 CYS CA C 64.311 0.300 1 398 40 40 CYS CB C 26.761 0.300 1 399 40 40 CYS N N 116.694 0.300 1 400 41 41 ASP H H 8.383 0.030 1 401 41 41 ASP HA H 4.361 0.030 1 402 41 41 ASP HB2 H 2.861 0.030 2 403 41 41 ASP HB3 H 2.735 0.030 2 404 41 41 ASP C C 178.801 0.300 1 405 41 41 ASP CA C 57.307 0.300 1 406 41 41 ASP CB C 40.853 0.300 1 407 41 41 ASP N N 120.779 0.300 1 408 42 42 LYS H H 8.239 0.030 1 409 42 42 LYS HA H 4.175 0.030 1 410 42 42 LYS HB2 H 2.045 0.030 2 411 42 42 LYS HB3 H 1.951 0.030 2 412 42 42 LYS HD2 H 1.377 0.030 2 413 42 42 LYS HD3 H 1.316 0.030 2 414 42 42 LYS HE2 H 2.585 0.030 2 415 42 42 LYS HE3 H 2.449 0.030 2 416 42 42 LYS HG2 H 1.293 0.030 2 417 42 42 LYS HG3 H 1.518 0.030 2 418 42 42 LYS C C 180.279 0.300 1 419 42 42 LYS CA C 59.129 0.300 1 420 42 42 LYS CB C 33.057 0.300 1 421 42 42 LYS CD C 29.392 0.300 1 422 42 42 LYS CE C 41.610 0.300 1 423 42 42 LYS CG C 25.934 0.300 1 424 42 42 LYS N N 121.911 0.300 1 425 43 43 VAL H H 8.348 0.030 1 426 43 43 VAL HA H 3.467 0.030 1 427 43 43 VAL HB H 2.489 0.030 1 428 43 43 VAL HG1 H 0.902 0.030 1 429 43 43 VAL HG2 H 1.005 0.030 1 430 43 43 VAL C C 176.755 0.300 1 431 43 43 VAL CA C 67.827 0.300 1 432 43 43 VAL CB C 31.719 0.300 1 433 43 43 VAL CG1 C 21.399 0.300 2 434 43 43 VAL CG2 C 24.817 0.300 2 435 43 43 VAL N N 122.412 0.300 1 436 44 44 GLY H H 7.450 0.030 1 437 44 44 GLY HA2 H 4.126 0.030 2 438 44 44 GLY HA3 H 3.980 0.030 2 439 44 44 GLY C C 175.155 0.300 1 440 44 44 GLY CA C 46.318 0.300 1 441 44 44 GLY N N 101.581 0.300 1 442 45 45 SER H H 7.704 0.030 1 443 45 45 SER HA H 4.659 0.030 1 444 45 45 SER HB2 H 4.081 0.030 2 445 45 45 SER HB3 H 3.877 0.030 2 446 45 45 SER C C 174.001 0.300 1 447 45 45 SER CA C 58.336 0.300 1 448 45 45 SER CB C 64.515 0.300 1 449 45 45 SER N N 112.485 0.300 1 450 46 46 THR H H 7.372 0.030 1 451 46 46 THR HA H 4.895 0.030 1 452 46 46 THR HB H 4.141 0.030 1 453 46 46 THR HG2 H 1.347 0.030 1 454 46 46 THR C C 172.703 0.300 1 455 46 46 THR CA C 59.882 0.300 1 456 46 46 THR CB C 71.298 0.300 1 457 46 46 THR CG2 C 20.773 0.300 1 458 46 46 THR N N 117.938 0.300 1 459 47 47 PRO HA H 4.405 0.030 1 460 47 47 PRO HB2 H 2.356 0.030 2 461 47 47 PRO HB3 H 1.938 0.030 2 462 47 47 PRO HD2 H 4.003 0.030 2 463 47 47 PRO HD3 H 3.819 0.030 2 464 47 47 PRO HG2 H 2.175 0.030 2 465 47 47 PRO HG3 H 2.033 0.030 2 466 47 47 PRO C C 177.707 0.300 1 467 47 47 PRO CA C 64.210 0.300 1 468 47 47 PRO CB C 31.764 0.300 1 469 47 47 PRO CD C 51.563 0.300 1 470 47 47 PRO CG C 27.827 0.300 1 471 48 48 ASN H H 9.163 0.030 1 472 48 48 ASN HA H 4.547 0.030 1 473 48 48 ASN HB2 H 3.083 0.030 2 474 48 48 ASN HB3 H 2.841 0.030 2 475 48 48 ASN HD21 H 7.723 0.030 2 476 48 48 ASN HD22 H 6.843 0.030 2 477 48 48 ASN C C 175.965 0.300 1 478 48 48 ASN CA C 54.335 0.300 1 479 48 48 ASN CB C 38.461 0.300 1 480 48 48 ASN N N 119.119 0.300 1 481 48 48 ASN ND2 N 114.163 0.300 1 482 49 49 GLY H H 8.285 0.030 1 483 49 49 GLY HA2 H 4.247 0.030 2 484 49 49 GLY HA3 H 3.915 0.030 2 485 49 49 GLY C C 174.871 0.300 1 486 49 49 GLY CA C 48.316 0.300 1 487 49 49 GLY N N 106.688 0.300 1 488 50 50 ALA H H 8.578 0.030 1 489 50 50 ALA HA H 3.871 0.030 1 490 50 50 ALA HB H 1.184 0.030 1 491 50 50 ALA C C 177.954 0.300 1 492 50 50 ALA CA C 55.721 0.300 1 493 50 50 ALA CB C 19.501 0.300 1 494 50 50 ALA N N 121.784 0.300 1 495 51 51 LYS H H 7.619 0.030 1 496 51 51 LYS HA H 3.551 0.030 1 497 51 51 LYS HB2 H 1.674 0.030 2 498 51 51 LYS HB3 H 1.624 0.030 2 499 51 51 LYS HE2 H 3.013 0.030 2 500 51 51 LYS HG2 H 1.371 0.030 2 501 51 51 LYS HG3 H 1.301 0.030 2 502 51 51 LYS C C 179.246 0.300 1 503 51 51 LYS CA C 59.848 0.300 1 504 51 51 LYS CB C 32.345 0.300 1 505 51 51 LYS CD C 29.251 0.300 1 506 51 51 LYS CE C 41.680 0.300 1 507 51 51 LYS CG C 24.648 0.300 1 508 51 51 LYS N N 117.370 0.300 1 509 52 52 ASP H H 8.146 0.030 1 510 52 52 ASP HA H 4.507 0.030 1 511 52 52 ASP HB2 H 2.990 0.030 2 512 52 52 ASP HB3 H 2.690 0.030 2 513 52 52 ASP C C 178.983 0.300 1 514 52 52 ASP CA C 57.660 0.300 1 515 52 52 ASP CB C 39.493 0.300 1 516 52 52 ASP N N 119.041 0.300 1 517 53 53 CYS H H 8.407 0.030 1 518 53 53 CYS HA H 3.395 0.030 1 519 53 53 CYS HB2 H 2.514 0.030 2 520 53 53 CYS HB3 H 1.225 0.030 2 521 53 53 CYS C C 176.411 0.300 1 522 53 53 CYS CA C 62.655 0.300 1 523 53 53 CYS CB C 26.630 0.300 1 524 53 53 CYS N N 122.647 0.300 1 525 54 54 LEU H H 8.236 0.030 1 526 54 54 LEU HA H 4.087 0.030 1 527 54 54 LEU HB2 H 1.842 0.030 2 528 54 54 LEU HB3 H 1.207 0.030 2 529 54 54 LEU HD1 H 0.871 0.030 1 530 54 54 LEU HD2 H 0.564 0.030 1 531 54 54 LEU HG H 1.661 0.030 1 532 54 54 LEU C C 178.254 0.300 1 533 54 54 LEU CA C 58.596 0.300 1 534 54 54 LEU CB C 40.684 0.300 1 535 54 54 LEU CD1 C 23.997 0.300 2 536 54 54 LEU CD2 C 26.890 0.300 2 537 54 54 LEU CG C 26.832 0.300 1 538 54 54 LEU N N 118.489 0.300 1 539 55 55 LYS H H 7.827 0.030 1 540 55 55 LYS HA H 3.990 0.030 1 541 55 55 LYS HB2 H 1.881 0.030 2 542 55 55 LYS HD2 H 1.858 0.030 2 543 55 55 LYS HD3 H 1.718 0.030 2 544 55 55 LYS HE2 H 2.965 0.030 2 545 55 55 LYS HG2 H 1.613 0.030 2 546 55 55 LYS C C 179.651 0.300 1 547 55 55 LYS CA C 59.776 0.300 1 548 55 55 LYS CB C 32.543 0.300 1 549 55 55 LYS CD C 29.564 0.300 1 550 55 55 LYS CE C 42.150 0.300 1 551 55 55 LYS CG C 25.225 0.300 1 552 55 55 LYS N N 117.464 0.300 1 553 56 56 ALA H H 7.720 0.030 1 554 56 56 ALA HA H 4.142 0.030 1 555 56 56 ALA HB H 1.467 0.030 1 556 56 56 ALA C C 180.644 0.300 1 557 56 56 ALA CA C 55.074 0.300 1 558 56 56 ALA CB C 17.750 0.300 1 559 56 56 ALA N N 120.852 0.300 1 560 57 57 ILE H H 8.778 0.030 1 561 57 57 ILE HA H 3.409 0.030 1 562 57 57 ILE HB H 2.106 0.030 1 563 57 57 ILE HD1 H 0.867 0.030 1 564 57 57 ILE HG12 H 2.189 0.030 2 565 57 57 ILE HG13 H 0.741 0.030 2 566 57 57 ILE HG2 H 0.974 0.030 1 567 57 57 ILE C C 178.983 0.300 1 568 57 57 ILE CA C 66.634 0.300 1 569 57 57 ILE CB C 38.953 0.300 1 570 57 57 ILE CD1 C 16.856 0.300 1 571 57 57 ILE CG1 C 30.307 0.300 1 572 57 57 ILE CG2 C 18.400 0.300 1 573 57 57 ILE N N 118.983 0.300 1 574 58 58 MET H H 8.881 0.030 1 575 58 58 MET HA H 4.602 0.030 1 576 58 58 MET HB2 H 2.166 0.030 2 577 58 58 MET HB3 H 2.100 0.030 2 578 58 58 MET HE H 1.771 0.030 1 579 58 58 MET HG2 H 2.905 0.030 2 580 58 58 MET HG3 H 2.828 0.030 2 581 58 58 MET C C 179.611 0.300 1 582 58 58 MET CA C 56.485 0.300 1 583 58 58 MET CB C 28.660 0.300 1 584 58 58 MET CE C 14.894 0.300 1 585 58 58 MET CG C 32.414 0.300 1 586 58 58 MET N N 117.142 0.300 1 587 59 59 LYS H H 7.540 0.030 1 588 59 59 LYS HA H 4.178 0.030 1 589 59 59 LYS HB2 H 1.945 0.030 2 590 59 59 LYS HE2 H 2.978 0.030 2 591 59 59 LYS HG2 H 1.636 0.030 2 592 59 59 LYS HG3 H 1.447 0.030 2 593 59 59 LYS C C 179.570 0.300 1 594 59 59 LYS CA C 59.730 0.300 1 595 59 59 LYS CB C 32.681 0.300 1 596 59 59 LYS CD C 29.526 0.300 1 597 59 59 LYS CE C 42.055 0.300 1 598 59 59 LYS CG C 25.331 0.300 1 599 59 59 LYS N N 119.332 0.300 1 600 60 60 ARG H H 7.334 0.030 1 601 60 60 ARG HA H 4.272 0.030 1 602 60 60 ARG HB2 H 2.029 0.030 2 603 60 60 ARG HB3 H 1.808 0.030 2 604 60 60 ARG HD2 H 3.192 0.030 2 605 60 60 ARG HD3 H 3.038 0.030 2 606 60 60 ARG HE H 7.192 0.030 1 607 60 60 ARG HG2 H 2.078 0.030 2 608 60 60 ARG HG3 H 1.530 0.030 2 609 60 60 ARG C C 178.234 0.300 1 610 60 60 ARG CA C 55.780 0.300 1 611 60 60 ARG CB C 28.538 0.300 1 612 60 60 ARG CD C 40.348 0.300 1 613 60 60 ARG CG C 25.596 0.300 1 614 60 60 ARG N N 116.953 0.300 1 615 60 60 ARG NE N 83.144 0.300 1 616 61 61 VAL H H 8.301 0.030 1 617 61 61 VAL HA H 3.692 0.030 1 618 61 61 VAL HB H 2.354 0.030 1 619 61 61 VAL HG1 H 0.893 0.030 1 620 61 61 VAL HG2 H 1.135 0.030 1 621 61 61 VAL C C 174.709 0.300 1 622 61 61 VAL CA C 66.206 0.300 1 623 61 61 VAL CB C 31.487 0.300 1 624 61 61 VAL CG1 C 21.900 0.300 2 625 61 61 VAL CG2 C 24.628 0.300 2 626 61 61 VAL N N 121.574 0.300 1 627 62 62 ASN H H 6.964 0.030 1 628 62 62 ASN HA H 4.629 0.030 1 629 62 62 ASN HB2 H 2.971 0.030 2 630 62 62 ASN HB3 H 2.573 0.030 2 631 62 62 ASN HD21 H 7.205 0.030 2 632 62 62 ASN HD22 H 6.910 0.030 2 633 62 62 ASN C C 174.041 0.300 1 634 62 62 ASN CA C 53.547 0.300 1 635 62 62 ASN CB C 40.354 0.300 1 636 62 62 ASN N N 112.953 0.300 1 637 62 62 ASN ND2 N 114.325 0.300 1 638 63 63 HIS H H 7.471 0.030 1 639 63 63 HIS HA H 4.122 0.030 1 640 63 63 HIS HB2 H 3.338 0.030 2 641 63 63 HIS HB3 H 2.889 0.030 2 642 63 63 HIS HD2 H 7.108 0.030 1 643 63 63 HIS HE1 H 7.705 0.030 1 644 63 63 HIS C C 175.135 0.300 1 645 63 63 HIS CA C 59.072 0.300 1 646 63 63 HIS CB C 33.253 0.300 1 647 63 63 HIS CD2 C 118.021 0.300 1 648 63 63 HIS CE1 C 137.744 0.300 1 649 63 63 HIS N N 122.979 0.300 1 650 64 64 LYS H H 7.780 0.030 1 651 64 64 LYS HA H 4.182 0.030 1 652 64 64 LYS HB2 H 1.811 0.030 1 653 64 64 LYS HB3 H 1.811 0.030 1 654 64 64 LYS HE2 H 3.003 0.030 2 655 64 64 LYS HG2 H 1.456 0.030 2 656 64 64 LYS HG3 H 1.406 0.030 2 657 64 64 LYS C C 177.889 0.300 1 658 64 64 LYS CA C 58.112 0.300 1 659 64 64 LYS CB C 32.831 0.300 1 660 64 64 LYS CD C 29.044 0.300 1 661 64 64 LYS CE C 42.098 0.300 1 662 64 64 LYS CG C 25.050 0.300 1 663 64 64 LYS N N 123.280 0.300 1 664 65 65 VAL H H 11.467 0.030 1 665 65 65 VAL HA H 4.446 0.030 1 666 65 65 VAL HB H 2.520 0.030 1 667 65 65 VAL HG1 H 1.060 0.030 1 668 65 65 VAL HG2 H 1.195 0.030 1 669 65 65 VAL CA C 60.877 0.300 1 670 65 65 VAL CB C 31.614 0.300 1 671 65 65 VAL CG1 C 21.602 0.300 2 672 65 65 VAL CG2 C 22.211 0.300 2 673 65 65 VAL N N 129.356 0.300 1 674 66 66 PRO HA H 4.004 0.030 1 675 66 66 PRO HB2 H 1.790 0.030 2 676 66 66 PRO HB3 H 1.658 0.030 2 677 66 66 PRO HD2 H 4.289 0.030 2 678 66 66 PRO HD3 H 3.949 0.030 2 679 66 66 PRO HG2 H 2.032 0.030 2 680 66 66 PRO HG3 H 1.746 0.030 2 681 66 66 PRO C C 177.342 0.300 1 682 66 66 PRO CA C 65.616 0.300 1 683 66 66 PRO CB C 30.978 0.300 1 684 66 66 PRO CD C 51.122 0.300 1 685 66 66 PRO CG C 27.597 0.300 1 686 67 67 HIS H H 8.111 0.030 1 687 67 67 HIS HA H 4.562 0.030 1 688 67 67 HIS HB2 H 3.215 0.030 2 689 67 67 HIS HB3 H 2.717 0.030 2 690 67 67 HIS HD2 H 7.064 0.030 1 691 67 67 HIS HE1 H 7.673 0.030 1 692 67 67 HIS C C 179.267 0.300 1 693 67 67 HIS CA C 58.799 0.300 1 694 67 67 HIS CB C 32.315 0.300 1 695 67 67 HIS CD2 C 118.138 0.300 1 696 67 67 HIS CE1 C 138.991 0.300 1 697 67 67 HIS N N 113.514 0.300 1 698 68 68 VAL H H 7.249 0.030 1 699 68 68 VAL HA H 3.470 0.030 1 700 68 68 VAL HB H 2.081 0.030 1 701 68 68 VAL HG1 H 0.617 0.030 1 702 68 68 VAL HG2 H 0.495 0.030 1 703 68 68 VAL C C 177.120 0.300 1 704 68 68 VAL CA C 65.713 0.300 1 705 68 68 VAL CB C 31.428 0.300 1 706 68 68 VAL CG1 C 20.477 0.300 2 707 68 68 VAL CG2 C 20.826 0.300 2 708 68 68 VAL N N 119.604 0.300 1 709 69 69 ALA H H 6.954 0.030 1 710 69 69 ALA HA H 4.216 0.030 1 711 69 69 ALA HB H 1.662 0.030 1 712 69 69 ALA C C 180.563 0.300 1 713 69 69 ALA CA C 55.251 0.300 1 714 69 69 ALA CB C 20.732 0.300 1 715 69 69 ALA N N 122.477 0.300 1 716 70 70 LEU H H 9.207 0.030 1 717 70 70 LEU HA H 4.011 0.030 1 718 70 70 LEU HB2 H 1.878 0.030 2 719 70 70 LEU HB3 H 1.516 0.030 2 720 70 70 LEU HD1 H 0.807 0.030 1 721 70 70 LEU HD2 H 0.791 0.030 1 722 70 70 LEU HG H 1.721 0.030 1 723 70 70 LEU C C 181.089 0.300 1 724 70 70 LEU CA C 58.365 0.300 1 725 70 70 LEU CB C 41.276 0.300 1 726 70 70 LEU CD1 C 25.200 0.300 2 727 70 70 LEU CD2 C 23.350 0.300 2 728 70 70 LEU CG C 27.039 0.300 1 729 70 70 LEU N N 117.070 0.300 1 730 71 71 GLN H H 7.428 0.030 1 731 71 71 GLN HA H 4.126 0.030 1 732 71 71 GLN HB2 H 2.129 0.030 2 733 71 71 GLN HB3 H 1.920 0.030 2 734 71 71 GLN HE21 H 6.174 0.030 2 735 71 71 GLN HE22 H 5.317 0.030 2 736 71 71 GLN HG2 H 2.472 0.030 2 737 71 71 GLN HG3 H 1.856 0.030 2 738 71 71 GLN C C 179.226 0.300 1 739 71 71 GLN CA C 59.364 0.300 1 740 71 71 GLN CB C 32.242 0.300 1 741 71 71 GLN CG C 36.092 0.300 1 742 71 71 GLN N N 119.267 0.300 1 743 71 71 GLN NE2 N 106.914 0.300 1 744 72 72 ALA H H 8.458 0.030 1 745 72 72 ALA HA H 3.770 0.030 1 746 72 72 ALA HB H 1.555 0.030 1 747 72 72 ALA C C 178.740 0.300 1 748 72 72 ALA CA C 55.368 0.300 1 749 72 72 ALA CB C 18.534 0.300 1 750 72 72 ALA N N 123.939 0.300 1 751 73 73 LEU H H 8.100 0.030 1 752 73 73 LEU HA H 4.173 0.030 1 753 73 73 LEU HB2 H 2.186 0.030 2 754 73 73 LEU HB3 H 1.294 0.030 2 755 73 73 LEU HD1 H 1.040 0.030 1 756 73 73 LEU HD2 H 0.923 0.030 1 757 73 73 LEU HG H 2.164 0.030 1 758 73 73 LEU C C 179.287 0.300 1 759 73 73 LEU CA C 57.327 0.300 1 760 73 73 LEU CB C 41.471 0.300 1 761 73 73 LEU CD1 C 28.916 0.300 2 762 73 73 LEU CD2 C 25.257 0.300 2 763 73 73 LEU CG C 26.688 0.300 1 764 73 73 LEU N N 118.414 0.300 1 765 74 74 THR H H 8.036 0.030 1 766 74 74 THR HA H 4.015 0.030 1 767 74 74 THR HB H 4.336 0.030 1 768 74 74 THR HG2 H 1.121 0.030 1 769 74 74 THR C C 177.322 0.300 1 770 74 74 THR CA C 66.622 0.300 1 771 74 74 THR CB C 68.047 0.300 1 772 74 74 THR CG2 C 22.585 0.300 1 773 74 74 THR N N 119.982 0.300 1 774 75 75 LEU H H 7.756 0.030 1 775 75 75 LEU HA H 3.895 0.030 1 776 75 75 LEU HB2 H 1.994 0.030 2 777 75 75 LEU HB3 H 1.401 0.030 2 778 75 75 LEU HD1 H 0.815 0.030 1 779 75 75 LEU HD2 H 0.793 0.030 1 780 75 75 LEU HG H 1.522 0.030 1 781 75 75 LEU C C 177.180 0.300 1 782 75 75 LEU CA C 58.218 0.300 1 783 75 75 LEU CB C 41.195 0.300 1 784 75 75 LEU CD1 C 24.836 0.300 2 785 75 75 LEU CD2 C 28.077 0.300 2 786 75 75 LEU CG C 27.595 0.300 1 787 75 75 LEU N N 123.701 0.300 1 788 76 76 LEU H H 8.833 0.030 1 789 76 76 LEU HA H 4.025 0.030 1 790 76 76 LEU HB2 H 2.431 0.030 2 791 76 76 LEU HB3 H 1.778 0.030 2 792 76 76 LEU HD1 H 1.145 0.030 1 793 76 76 LEU HD2 H 1.322 0.030 1 794 76 76 LEU HG H 2.039 0.030 1 795 76 76 LEU C C 178.558 0.300 1 796 76 76 LEU CA C 58.747 0.300 1 797 76 76 LEU CB C 41.883 0.300 1 798 76 76 LEU CD1 C 23.119 0.300 2 799 76 76 LEU CD2 C 26.612 0.300 2 800 76 76 LEU N N 121.073 0.300 1 801 77 77 GLY H H 8.772 0.030 1 802 77 77 GLY HA2 H 4.291 0.030 2 803 77 77 GLY HA3 H 4.141 0.030 2 804 77 77 GLY C C 176.674 0.300 1 805 77 77 GLY CA C 47.699 0.300 1 806 77 77 GLY N N 103.665 0.300 1 807 78 78 ALA H H 8.275 0.030 1 808 78 78 ALA HA H 4.377 0.030 1 809 78 78 ALA HB H 1.475 0.030 1 810 78 78 ALA C C 180.117 0.300 1 811 78 78 ALA CA C 55.104 0.300 1 812 78 78 ALA CB C 18.320 0.300 1 813 78 78 ALA N N 125.676 0.300 1 814 79 79 CYS H H 8.594 0.030 1 815 79 79 CYS HA H 4.346 0.030 1 816 79 79 CYS HB2 H 2.243 0.030 2 817 79 79 CYS HB3 H 0.662 0.030 2 818 79 79 CYS C C 177.808 0.300 1 819 79 79 CYS CA C 62.808 0.300 1 820 79 79 CYS CB C 26.363 0.300 1 821 79 79 CYS N N 118.771 0.300 1 822 80 80 VAL H H 7.917 0.030 1 823 80 80 VAL HA H 3.373 0.030 1 824 80 80 VAL HB H 2.002 0.030 1 825 80 80 VAL HG1 H 0.160 0.030 1 826 80 80 VAL HG2 H 0.513 0.030 1 827 80 80 VAL C C 177.363 0.300 1 828 80 80 VAL CA C 67.974 0.300 1 829 80 80 VAL CB C 31.796 0.300 1 830 80 80 VAL CG1 C 20.757 0.300 2 831 80 80 VAL CG2 C 24.893 0.300 2 832 80 80 VAL N N 119.957 0.300 1 833 81 81 ALA H H 7.944 0.030 1 834 81 81 ALA HA H 4.395 0.030 1 835 81 81 ALA HB H 1.564 0.030 1 836 81 81 ALA C C 179.813 0.300 1 837 81 81 ALA CA C 54.869 0.300 1 838 81 81 ALA CB C 19.301 0.300 1 839 81 81 ALA N N 119.230 0.300 1 840 82 82 ASN H H 8.115 0.030 1 841 82 82 ASN HA H 5.016 0.030 1 842 82 82 ASN HB2 H 2.921 0.030 2 843 82 82 ASN HB3 H 2.752 0.030 2 844 82 82 ASN HD21 H 7.607 0.030 2 845 82 82 ASN C C 177.322 0.300 1 846 82 82 ASN CA C 55.104 0.300 1 847 82 82 ASN CB C 41.677 0.300 1 848 82 82 ASN N N 111.482 0.300 1 849 82 82 ASN ND2 N 115.536 0.300 1 850 83 83 CYS H H 8.436 0.030 1 851 83 83 CYS HA H 4.330 0.030 1 852 83 83 CYS HB2 H 3.142 0.030 2 853 83 83 CYS HB3 H 2.647 0.030 2 854 83 83 CYS C C 175.236 0.300 1 855 83 83 CYS CA C 61.039 0.300 1 856 83 83 CYS CB C 29.075 0.300 1 857 83 83 CYS N N 115.473 0.300 1 858 84 84 GLY H H 7.924 0.030 1 859 84 84 GLY HA2 H 3.906 0.030 2 860 84 84 GLY HA3 H 3.565 0.030 2 861 84 84 GLY C C 173.150 0.300 1 862 84 84 GLY CA C 44.820 0.300 1 863 84 84 GLY N N 106.269 0.300 1 864 85 85 LYS H H 8.183 0.030 1 865 85 85 LYS HA H 3.698 0.030 1 866 85 85 LYS HB2 H 1.907 0.030 2 867 85 85 LYS HB3 H 1.816 0.030 2 868 85 85 LYS HE2 H 3.041 0.030 2 869 85 85 LYS HG2 H 1.508 0.030 1 870 85 85 LYS HG3 H 1.508 0.030 1 871 85 85 LYS C C 177.504 0.300 1 872 85 85 LYS CA C 59.416 0.300 1 873 85 85 LYS CB C 32.472 0.300 1 874 85 85 LYS CD C 29.126 0.300 1 875 85 85 LYS CE C 42.155 0.300 1 876 85 85 LYS CG C 24.831 0.300 1 877 85 85 LYS N N 119.647 0.300 1 878 86 86 ILE H H 8.301 0.030 1 879 86 86 ILE HA H 3.938 0.030 1 880 86 86 ILE HB H 1.897 0.030 1 881 86 86 ILE HD1 H 0.990 0.030 1 882 86 86 ILE HG12 H 1.435 0.030 2 883 86 86 ILE HG13 H 1.373 0.030 2 884 86 86 ILE HG2 H 0.983 0.030 1 885 86 86 ILE C C 176.208 0.300 1 886 86 86 ILE CA C 63.831 0.300 1 887 86 86 ILE CB C 37.625 0.300 1 888 86 86 ILE CD1 C 14.103 0.300 1 889 86 86 ILE CG1 C 28.067 0.300 1 890 86 86 ILE CG2 C 18.256 0.300 1 891 86 86 ILE N N 115.027 0.300 1 892 87 87 PHE H H 7.279 0.030 1 893 87 87 PHE HA H 4.018 0.030 1 894 87 87 PHE HB2 H 2.815 0.030 2 895 87 87 PHE HB3 H 2.504 0.030 2 896 87 87 PHE HD1 H 6.748 0.030 1 897 87 87 PHE HD2 H 6.748 0.030 1 898 87 87 PHE HE1 H 6.998 0.030 1 899 87 87 PHE HE2 H 6.998 0.030 1 900 87 87 PHE HZ H 6.862 0.030 1 901 87 87 PHE C C 177.444 0.300 1 902 87 87 PHE CA C 60.011 0.300 1 903 87 87 PHE CB C 42.205 0.300 1 904 87 87 PHE CD1 C 131.170 0.300 1 905 87 87 PHE CD2 C 131.170 0.300 1 906 87 87 PHE CE1 C 131.232 0.300 1 907 87 87 PHE CE2 C 131.232 0.300 1 908 87 87 PHE CZ C 129.370 0.300 1 909 87 87 PHE N N 120.820 0.300 1 910 88 88 HIS H H 7.946 0.030 1 911 88 88 HIS HA H 3.902 0.030 1 912 88 88 HIS HB2 H 2.959 0.030 2 913 88 88 HIS HB3 H 2.514 0.030 2 914 88 88 HIS HD2 H 6.279 0.030 1 915 88 88 HIS HE1 H 7.604 0.030 1 916 88 88 HIS C C 176.897 0.300 1 917 88 88 HIS CA C 57.387 0.300 1 918 88 88 HIS CB C 31.362 0.300 1 919 88 88 HIS CD2 C 114.384 0.300 1 920 88 88 HIS CE1 C 139.071 0.300 1 921 88 88 HIS N N 121.073 0.300 1 922 89 89 LEU H H 8.081 0.030 1 923 89 89 LEU HA H 3.773 0.030 1 924 89 89 LEU HB2 H 1.628 0.030 2 925 89 89 LEU HB3 H 1.382 0.030 2 926 89 89 LEU HD1 H 0.857 0.030 1 927 89 89 LEU HD2 H 0.821 0.030 1 928 89 89 LEU HG H 1.699 0.030 1 929 89 89 LEU C C 178.315 0.300 1 930 89 89 LEU CA C 57.836 0.300 1 931 89 89 LEU CB C 42.542 0.300 1 932 89 89 LEU CD1 C 25.322 0.300 2 933 89 89 LEU CD2 C 23.710 0.300 2 934 89 89 LEU CG C 26.778 0.300 1 935 89 89 LEU N N 116.161 0.300 1 936 90 90 GLU H H 6.679 0.030 1 937 90 90 GLU HA H 4.018 0.030 1 938 90 90 GLU HB2 H 1.802 0.030 2 939 90 90 GLU HB3 H 1.185 0.030 2 940 90 90 GLU HG2 H 2.065 0.030 2 941 90 90 GLU HG3 H 1.604 0.030 2 942 90 90 GLU C C 178.699 0.300 1 943 90 90 GLU CA C 56.602 0.300 1 944 90 90 GLU CB C 28.780 0.300 1 945 90 90 GLU CG C 35.030 0.300 1 946 90 90 GLU N N 113.588 0.300 1 947 91 91 VAL H H 6.846 0.030 1 948 91 91 VAL HA H 3.131 0.030 1 949 91 91 VAL HB H 1.445 0.030 1 950 91 91 VAL HG1 H 0.107 0.030 1 951 91 91 VAL HG2 H 0.282 0.030 1 952 91 91 VAL C C 175.094 0.300 1 953 91 91 VAL CA C 63.349 0.300 1 954 91 91 VAL CB C 31.434 0.300 1 955 91 91 VAL CG1 C 21.302 0.300 2 956 91 91 VAL CG2 C 21.462 0.300 2 957 91 91 VAL N N 115.728 0.300 1 958 92 92 CYS H H 7.273 0.030 1 959 92 92 CYS HA H 4.289 0.030 1 960 92 92 CYS HB2 H 2.706 0.030 2 961 92 92 CYS HB3 H 2.491 0.030 2 962 92 92 CYS C C 173.920 0.300 1 963 92 92 CYS CA C 59.041 0.300 1 964 92 92 CYS CB C 25.988 0.300 1 965 92 92 CYS N N 115.654 0.300 1 966 93 93 SER H H 7.510 0.030 1 967 93 93 SER HA H 4.633 0.030 1 968 93 93 SER HB2 H 4.211 0.030 2 969 93 93 SER HB3 H 3.884 0.030 2 970 93 93 SER C C 174.811 0.300 1 971 93 93 SER CA C 56.524 0.300 1 972 93 93 SER CB C 66.713 0.300 1 973 93 93 SER N N 113.888 0.300 1 974 94 94 ARG H H 9.094 0.030 1 975 94 94 ARG HA H 4.038 0.030 1 976 94 94 ARG HB2 H 1.876 0.030 1 977 94 94 ARG HB3 H 1.876 0.030 1 978 94 94 ARG HD2 H 3.208 0.030 1 979 94 94 ARG HD3 H 3.208 0.030 1 980 94 94 ARG HG2 H 1.755 0.030 2 981 94 94 ARG HG3 H 1.662 0.030 2 982 94 94 ARG C C 178.699 0.300 1 983 94 94 ARG CA C 59.216 0.300 1 984 94 94 ARG CB C 29.605 0.300 1 985 94 94 ARG CD C 43.248 0.300 1 986 94 94 ARG CG C 27.326 0.300 1 987 94 94 ARG N N 123.816 0.300 1 988 95 95 ASP H H 8.503 0.030 1 989 95 95 ASP HA H 4.397 0.030 1 990 95 95 ASP HB2 H 2.732 0.030 2 991 95 95 ASP HB3 H 2.628 0.030 2 992 95 95 ASP C C 178.416 0.300 1 993 95 95 ASP CA C 57.425 0.300 1 994 95 95 ASP CB C 40.128 0.300 1 995 95 95 ASP N N 118.770 0.300 1 996 96 96 PHE H H 7.803 0.030 1 997 96 96 PHE HA H 4.351 0.030 1 998 96 96 PHE HB2 H 3.265 0.030 2 999 96 96 PHE HB3 H 3.155 0.030 2 1000 96 96 PHE HD1 H 7.459 0.030 1 1001 96 96 PHE HD2 H 7.459 0.030 1 1002 96 96 PHE HE1 H 7.527 0.030 1 1003 96 96 PHE HE2 H 7.527 0.030 1 1004 96 96 PHE HZ H 7.270 0.030 1 1005 96 96 PHE C C 176.796 0.300 1 1006 96 96 PHE CA C 61.996 0.300 1 1007 96 96 PHE CB C 39.178 0.300 1 1008 96 96 PHE CD1 C 133.274 0.300 1 1009 96 96 PHE CD2 C 133.274 0.300 1 1010 96 96 PHE CE1 C 130.835 0.300 1 1011 96 96 PHE CE2 C 130.835 0.300 1 1012 96 96 PHE CZ C 128.618 0.300 1 1013 96 96 PHE N N 121.953 0.300 1 1014 97 97 ALA H H 7.832 0.030 1 1015 97 97 ALA HA H 3.902 0.030 1 1016 97 97 ALA HB H 1.569 0.030 1 1017 97 97 ALA C C 179.813 0.300 1 1018 97 97 ALA CA C 55.662 0.300 1 1019 97 97 ALA CB C 18.191 0.300 1 1020 97 97 ALA N N 120.838 0.300 1 1021 98 98 THR H H 8.266 0.030 1 1022 98 98 THR HA H 3.812 0.030 1 1023 98 98 THR HB H 4.351 0.030 1 1024 98 98 THR HG2 H 1.235 0.030 1 1025 98 98 THR C C 176.755 0.300 1 1026 98 98 THR CA C 66.540 0.300 1 1027 98 98 THR CB C 68.939 0.300 1 1028 98 98 THR CG2 C 21.763 0.300 1 1029 98 98 THR N N 113.597 0.300 1 1030 99 99 GLU H H 7.735 0.030 1 1031 99 99 GLU HA H 4.070 0.030 1 1032 99 99 GLU HB2 H 2.045 0.030 2 1033 99 99 GLU HB3 H 1.905 0.030 2 1034 99 99 GLU HG2 H 2.282 0.030 2 1035 99 99 GLU HG3 H 2.199 0.030 2 1036 99 99 GLU C C 179.287 0.300 1 1037 99 99 GLU CA C 59.629 0.300 1 1038 99 99 GLU CB C 29.316 0.300 1 1039 99 99 GLU CG C 36.197 0.300 1 1040 99 99 GLU N N 123.377 0.300 1 1041 100 100 VAL H H 8.490 0.030 1 1042 100 100 VAL HA H 3.445 0.030 1 1043 100 100 VAL HB H 1.907 0.030 1 1044 100 100 VAL HG1 H 0.679 0.030 1 1045 100 100 VAL HG2 H 0.688 0.030 1 1046 100 100 VAL C C 177.565 0.300 1 1047 100 100 VAL CA C 66.534 0.300 1 1048 100 100 VAL CB C 31.187 0.300 1 1049 100 100 VAL CG1 C 21.989 0.300 2 1050 100 100 VAL CG2 C 21.953 0.300 2 1051 100 100 VAL N N 117.350 0.300 1 1052 101 101 ARG H H 7.698 0.030 1 1053 101 101 ARG HA H 3.830 0.030 1 1054 101 101 ARG HB2 H 1.853 0.030 1 1055 101 101 ARG HB3 H 1.853 0.030 1 1056 101 101 ARG HD2 H 3.196 0.030 2 1057 101 101 ARG HD3 H 3.149 0.030 2 1058 101 101 ARG HG2 H 1.771 0.030 2 1059 101 101 ARG HG3 H 1.598 0.030 2 1060 101 101 ARG C C 177.930 0.300 1 1061 101 101 ARG CA C 59.834 0.300 1 1062 101 101 ARG CB C 30.405 0.300 1 1063 101 101 ARG CD C 43.671 0.300 1 1064 101 101 ARG CG C 28.562 0.300 1 1065 101 101 ARG N N 118.940 0.300 1 1066 102 102 ALA H H 7.516 0.030 1 1067 102 102 ALA HA H 4.045 0.030 1 1068 102 102 ALA HB H 1.468 0.030 1 1069 102 102 ALA C C 179.651 0.300 1 1070 102 102 ALA CA C 55.221 0.300 1 1071 102 102 ALA CB C 17.861 0.300 1 1072 102 102 ALA N N 120.561 0.300 1 1073 103 103 VAL H H 7.886 0.030 1 1074 103 103 VAL HA H 3.575 0.030 1 1075 103 103 VAL HB H 2.036 0.030 1 1076 103 103 VAL HG1 H 0.750 0.030 1 1077 103 103 VAL HG2 H 0.993 0.030 1 1078 103 103 VAL C C 178.801 0.300 1 1079 103 103 VAL CA C 66.475 0.300 1 1080 103 103 VAL CB C 31.994 0.300 1 1081 103 103 VAL CG1 C 21.469 0.300 2 1082 103 103 VAL CG2 C 22.356 0.300 2 1083 103 103 VAL N N 118.600 0.300 1 1084 104 104 ILE H H 7.620 0.030 1 1085 104 104 ILE HA H 3.820 0.030 1 1086 104 104 ILE HB H 1.854 0.030 1 1087 104 104 ILE HD1 H 0.737 0.030 1 1088 104 104 ILE HG12 H 1.119 0.030 2 1089 104 104 ILE HG13 H 1.628 0.030 2 1090 104 104 ILE HG2 H 0.817 0.030 1 1091 104 104 ILE C C 178.841 0.300 1 1092 104 104 ILE CA C 64.286 0.300 1 1093 104 104 ILE CB C 37.844 0.300 1 1094 104 104 ILE CD1 C 13.589 0.300 1 1095 104 104 ILE CG1 C 30.094 0.300 1 1096 104 104 ILE CG2 C 18.115 0.300 1 1097 104 104 ILE N N 117.501 0.300 1 1098 105 105 LYS H H 8.561 0.030 1 1099 105 105 LYS HA H 4.008 0.030 1 1100 105 105 LYS HB2 H 1.837 0.030 1 1101 105 105 LYS HB3 H 1.837 0.030 1 1102 105 105 LYS HE2 H 2.946 0.030 2 1103 105 105 LYS HG2 H 1.552 0.030 2 1104 105 105 LYS HG3 H 1.410 0.030 2 1105 105 105 LYS C C 178.092 0.300 1 1106 105 105 LYS CA C 58.747 0.300 1 1107 105 105 LYS CB C 31.934 0.300 1 1108 105 105 LYS CD C 28.700 0.300 1 1109 105 105 LYS CE C 41.831 0.300 1 1110 105 105 LYS CG C 25.248 0.300 1 1111 105 105 LYS N N 120.072 0.300 1 1112 106 106 ASN H H 8.039 0.030 1 1113 106 106 ASN HA H 4.608 0.030 1 1114 106 106 ASN HB2 H 2.907 0.030 2 1115 106 106 ASN HB3 H 2.840 0.030 2 1116 106 106 ASN HD21 H 7.565 0.030 2 1117 106 106 ASN HD22 H 6.911 0.030 2 1118 106 106 ASN C C 175.297 0.300 1 1119 106 106 ASN CA C 54.046 0.300 1 1120 106 106 ASN CB C 38.175 0.300 1 1121 106 106 ASN N N 116.158 0.300 1 1122 106 106 ASN ND2 N 112.527 0.300 1 1123 107 107 LYS H H 7.729 0.030 1 1124 107 107 LYS HA H 3.974 0.030 1 1125 107 107 LYS HB2 H 1.866 0.030 1 1126 107 107 LYS HB3 H 1.866 0.030 1 1127 107 107 LYS HE2 H 3.003 0.030 2 1128 107 107 LYS HG2 H 1.403 0.030 2 1129 107 107 LYS C C 175.823 0.300 1 1130 107 107 LYS CA C 57.102 0.300 1 1131 107 107 LYS CB C 30.415 0.300 1 1132 107 107 LYS CD C 29.862 0.300 1 1133 107 107 LYS CE C 42.311 0.300 1 1134 107 107 LYS CG C 24.809 0.300 1 1135 107 107 LYS N N 115.798 0.300 1 1136 108 108 ALA H H 7.825 0.030 1 1137 108 108 ALA HA H 4.137 0.030 1 1138 108 108 ALA HB H 1.263 0.030 1 1139 108 108 ALA C C 177.160 0.300 1 1140 108 108 ALA CA C 53.965 0.300 1 1141 108 108 ALA CB C 18.907 0.300 1 1142 108 108 ALA N N 121.675 0.300 1 1143 109 109 HIS H H 8.629 0.030 1 1144 109 109 HIS HA H 4.862 0.030 1 1145 109 109 HIS HB2 H 3.269 0.030 2 1146 109 109 HIS HB3 H 2.935 0.030 2 1147 109 109 HIS HD2 H 7.304 0.030 1 1148 109 109 HIS HE1 H 7.828 0.030 1 1149 109 109 HIS C C 175.409 0.300 1 1150 109 109 HIS CA C 54.964 0.300 1 1151 109 109 HIS CB C 32.283 0.300 1 1152 109 109 HIS CD2 C 119.078 0.300 1 1153 109 109 HIS CE1 C 138.676 0.300 1 1154 109 109 HIS N N 117.996 0.300 1 1155 110 110 PRO HA H 4.180 0.030 1 1156 110 110 PRO HB2 H 2.370 0.030 2 1157 110 110 PRO HB3 H 1.961 0.030 2 1158 110 110 PRO HD2 H 3.666 0.030 2 1159 110 110 PRO HD3 H 2.922 0.030 2 1160 110 110 PRO HG2 H 1.956 0.030 1 1161 110 110 PRO HG3 H 1.956 0.030 1 1162 110 110 PRO C C 179.064 0.300 1 1163 110 110 PRO CA C 66.354 0.300 1 1164 110 110 PRO CB C 32.386 0.300 1 1165 110 110 PRO CD C 50.725 0.300 1 1166 110 110 PRO CG C 27.597 0.300 1 1167 111 111 LYS H H 10.000 0.030 1 1168 111 111 LYS HA H 4.140 0.030 1 1169 111 111 LYS HB2 H 2.045 0.030 2 1170 111 111 LYS HB3 H 1.907 0.030 2 1171 111 111 LYS HE2 H 2.989 0.030 2 1172 111 111 LYS HG2 H 1.701 0.030 2 1173 111 111 LYS HG3 H 1.559 0.030 2 1174 111 111 LYS CA C 59.531 0.300 1 1175 111 111 LYS CB C 32.592 0.300 1 1176 111 111 LYS CD C 29.070 0.300 1 1177 111 111 LYS CE C 42.038 0.300 1 1178 111 111 LYS CG C 25.783 0.300 1 1179 111 111 LYS N N 118.420 0.300 1 1180 112 112 VAL H H 7.499 0.030 1 1181 112 112 VAL HA H 3.505 0.030 1 1182 112 112 VAL HB H 2.627 0.030 1 1183 112 112 VAL HG1 H 0.957 0.030 1 1184 112 112 VAL HG2 H 1.108 0.030 1 1185 112 112 VAL C C 177.180 0.300 1 1186 112 112 VAL CA C 65.887 0.300 1 1187 112 112 VAL CB C 31.854 0.300 1 1188 112 112 VAL CG1 C 20.577 0.300 2 1189 112 112 VAL CG2 C 23.704 0.300 2 1190 112 112 VAL N N 121.275 0.300 1 1191 113 113 CYS H H 7.894 0.030 1 1192 113 113 CYS HA H 3.733 0.030 1 1193 113 113 CYS HB2 H 3.133 0.030 2 1194 113 113 CYS HB3 H 2.676 0.030 2 1195 113 113 CYS C C 176.622 0.300 1 1196 113 113 CYS CA C 63.928 0.300 1 1197 113 113 CYS CB C 26.967 0.300 1 1198 113 113 CYS N N 116.704 0.300 1 1199 114 114 GLU H H 8.409 0.030 1 1200 114 114 GLU HA H 3.793 0.030 1 1201 114 114 GLU HB2 H 2.059 0.030 2 1202 114 114 GLU HB3 H 1.980 0.030 2 1203 114 114 GLU HG2 H 2.344 0.030 2 1204 114 114 GLU HG3 H 2.303 0.030 2 1205 114 114 GLU C C 178.639 0.300 1 1206 114 114 GLU CA C 59.452 0.300 1 1207 114 114 GLU CB C 29.497 0.300 1 1208 114 114 GLU CG C 36.003 0.300 1 1209 114 114 GLU N N 117.127 0.300 1 1210 115 115 LYS H H 7.659 0.030 1 1211 115 115 LYS HA H 4.216 0.030 1 1212 115 115 LYS HB2 H 1.968 0.030 2 1213 115 115 LYS HB3 H 1.899 0.030 2 1214 115 115 LYS HD2 H 1.849 0.030 2 1215 115 115 LYS HD3 H 1.624 0.030 2 1216 115 115 LYS HE2 H 2.919 0.030 2 1217 115 115 LYS HE3 H 2.742 0.030 2 1218 115 115 LYS HG2 H 1.289 0.030 2 1219 115 115 LYS HG3 H 1.471 0.030 2 1220 115 115 LYS C C 178.011 0.300 1 1221 115 115 LYS CA C 58.424 0.300 1 1222 115 115 LYS CB C 31.033 0.300 1 1223 115 115 LYS CD C 29.251 0.300 1 1224 115 115 LYS CE C 42.059 0.300 1 1225 115 115 LYS CG C 25.609 0.300 1 1226 115 115 LYS N N 120.636 0.300 1 1227 116 116 LEU H H 8.226 0.030 1 1228 116 116 LEU HA H 4.063 0.030 1 1229 116 116 LEU HB2 H 1.874 0.030 2 1230 116 116 LEU HB3 H 1.556 0.030 2 1231 116 116 LEU HD1 H 0.956 0.030 1 1232 116 116 LEU HD2 H 0.876 0.030 1 1233 116 116 LEU HG H 1.570 0.030 1 1234 116 116 LEU C C 177.930 0.300 1 1235 116 116 LEU CA C 58.189 0.300 1 1236 116 116 LEU CB C 41.602 0.300 1 1237 116 116 LEU CD1 C 21.538 0.300 2 1238 116 116 LEU CD2 C 26.441 0.300 2 1239 116 116 LEU CG C 27.168 0.300 1 1240 116 116 LEU N N 120.449 0.300 1 1241 117 117 LYS H H 8.148 0.030 1 1242 117 117 LYS HA H 3.875 0.030 1 1243 117 117 LYS HB2 H 1.778 0.030 2 1244 117 117 LYS HB3 H 1.500 0.030 2 1245 117 117 LYS HD2 H 1.095 0.030 2 1246 117 117 LYS HD3 H 0.920 0.030 2 1247 117 117 LYS HE2 H 2.510 0.030 2 1248 117 117 LYS HE3 H 2.147 0.030 2 1249 117 117 LYS HG2 H 1.683 0.030 2 1250 117 117 LYS HG3 H 0.757 0.030 2 1251 117 117 LYS C C 178.254 0.300 1 1252 117 117 LYS CA C 61.117 0.300 1 1253 117 117 LYS CB C 32.612 0.300 1 1254 117 117 LYS CD C 29.058 0.300 1 1255 117 117 LYS CE C 42.082 0.300 1 1256 117 117 LYS CG C 25.941 0.300 1 1257 117 117 LYS N N 116.686 0.300 1 1258 118 118 SER H H 8.053 0.030 1 1259 118 118 SER HA H 4.020 0.030 1 1260 118 118 SER HB2 H 4.030 0.030 2 1261 118 118 SER C C 176.674 0.300 1 1262 118 118 SER CA C 62.124 0.300 1 1263 118 118 SER CB C 62.759 0.300 1 1264 118 118 SER N N 113.260 0.300 1 1265 119 119 LEU H H 7.984 0.030 1 1266 119 119 LEU HA H 3.531 0.030 1 1267 119 119 LEU HB2 H 1.510 0.030 2 1268 119 119 LEU HB3 H 0.218 0.030 2 1269 119 119 LEU HD1 H 0.903 0.030 1 1270 119 119 LEU HD2 H 0.876 0.030 1 1271 119 119 LEU HG H 1.485 0.030 1 1272 119 119 LEU C C 176.613 0.300 1 1273 119 119 LEU CA C 57.543 0.300 1 1274 119 119 LEU CB C 40.921 0.300 1 1275 119 119 LEU CD1 C 26.648 0.300 2 1276 119 119 LEU CD2 C 23.215 0.300 2 1277 119 119 LEU CG C 26.673 0.300 1 1278 119 119 LEU N N 123.250 0.300 1 1279 120 120 MET H H 7.456 0.030 1 1280 120 120 MET HA H 3.722 0.030 1 1281 120 120 MET HB2 H 2.366 0.030 2 1282 120 120 MET HB3 H 2.029 0.030 2 1283 120 120 MET HE H 2.130 0.030 1 1284 120 120 MET HG2 H 2.741 0.030 2 1285 120 120 MET HG3 H 2.468 0.030 2 1286 120 120 MET C C 178.193 0.300 1 1287 120 120 MET CA C 59.620 0.300 1 1288 120 120 MET CB C 33.245 0.300 1 1289 120 120 MET CE C 16.987 0.300 1 1290 120 120 MET CG C 32.940 0.300 1 1291 120 120 MET N N 113.843 0.300 1 1292 121 121 VAL H H 7.843 0.030 1 1293 121 121 VAL HA H 3.433 0.030 1 1294 121 121 VAL HB H 2.155 0.030 1 1295 121 121 VAL HG1 H 0.902 0.030 1 1296 121 121 VAL HG2 H 1.282 0.030 1 1297 121 121 VAL C C 178.801 0.300 1 1298 121 121 VAL CA C 66.694 0.300 1 1299 121 121 VAL CB C 32.091 0.300 1 1300 121 121 VAL CG1 C 20.887 0.300 2 1301 121 121 VAL CG2 C 23.432 0.300 2 1302 121 121 VAL N N 118.617 0.300 1 1303 122 122 GLU H H 8.258 0.030 1 1304 122 122 GLU HA H 3.981 0.030 1 1305 122 122 GLU HB2 H 2.062 0.030 1 1306 122 122 GLU HB3 H 2.062 0.030 1 1307 122 122 GLU HG2 H 2.377 0.030 2 1308 122 122 GLU HG3 H 2.240 0.030 2 1309 122 122 GLU C C 180.158 0.300 1 1310 122 122 GLU CA C 59.776 0.300 1 1311 122 122 GLU CB C 28.882 0.300 1 1312 122 122 GLU CG C 36.068 0.300 1 1313 122 122 GLU N N 122.034 0.300 1 1314 123 123 TRP H H 9.010 0.030 1 1315 123 123 TRP HA H 4.525 0.030 1 1316 123 123 TRP HB2 H 3.483 0.030 2 1317 123 123 TRP HB3 H 3.079 0.030 2 1318 123 123 TRP HD1 H 7.139 0.030 1 1319 123 123 TRP HE1 H 10.602 0.030 1 1320 123 123 TRP HE3 H 7.509 0.030 1 1321 123 123 TRP HH2 H 7.023 0.030 1 1322 123 123 TRP HZ2 H 7.095 0.030 1 1323 123 123 TRP HZ3 H 7.121 0.030 1 1324 123 123 TRP C C 178.153 0.300 1 1325 123 123 TRP CA C 57.631 0.300 1 1326 123 123 TRP CB C 28.659 0.300 1 1327 123 123 TRP CD1 C 124.809 0.300 1 1328 123 123 TRP CE3 C 119.644 0.300 1 1329 123 123 TRP CH2 C 122.447 0.300 1 1330 123 123 TRP CZ2 C 114.366 0.300 1 1331 123 123 TRP CZ3 C 120.693 0.300 1 1332 123 123 TRP N N 121.031 0.300 1 1333 123 123 TRP NE1 N 128.723 0.300 1 1334 124 124 SER H H 8.416 0.030 1 1335 124 124 SER HA H 4.081 0.030 1 1336 124 124 SER HB2 H 4.012 0.030 2 1337 124 124 SER HB3 H 3.954 0.030 2 1338 124 124 SER C C 176.107 0.300 1 1339 124 124 SER CA C 61.623 0.300 1 1340 124 124 SER CB C 62.870 0.300 1 1341 124 124 SER N N 113.073 0.300 1 1342 125 125 GLU H H 7.583 0.030 1 1343 125 125 GLU HA H 4.198 0.030 1 1344 125 125 GLU HB2 H 2.088 0.030 2 1345 125 125 GLU HG2 H 2.298 0.030 2 1346 125 125 GLU HG3 H 2.229 0.030 2 1347 125 125 GLU C C 178.983 0.300 1 1348 125 125 GLU CA C 58.453 0.300 1 1349 125 125 GLU CB C 30.096 0.300 1 1350 125 125 GLU CG C 36.282 0.300 1 1351 125 125 GLU N N 119.325 0.300 1 1352 126 126 GLU H H 8.436 0.030 1 1353 126 126 GLU HA H 3.933 0.030 1 1354 126 126 GLU HB2 H 1.860 0.030 2 1355 126 126 GLU HB3 H 1.487 0.030 2 1356 126 126 GLU HG2 H 1.784 0.030 2 1357 126 126 GLU HG3 H 1.697 0.030 2 1358 126 126 GLU C C 178.861 0.300 1 1359 126 126 GLU CA C 58.747 0.300 1 1360 126 126 GLU CB C 29.591 0.300 1 1361 126 126 GLU CG C 35.050 0.300 1 1362 126 126 GLU N N 120.986 0.300 1 1363 127 127 PHE H H 8.207 0.030 1 1364 127 127 PHE HA H 4.695 0.030 1 1365 127 127 PHE HB2 H 3.047 0.030 2 1366 127 127 PHE HB3 H 2.124 0.030 2 1367 127 127 PHE HD1 H 6.774 0.030 1 1368 127 127 PHE HD2 H 6.774 0.030 1 1369 127 127 PHE HE1 H 6.712 0.030 1 1370 127 127 PHE HE2 H 6.712 0.030 1 1371 127 127 PHE HZ H 6.606 0.030 1 1372 127 127 PHE C C 176.654 0.300 1 1373 127 127 PHE CA C 56.494 0.300 1 1374 127 127 PHE CB C 37.665 0.300 1 1375 127 127 PHE CD1 C 131.002 0.300 1 1376 127 127 PHE CD2 C 131.002 0.300 1 1377 127 127 PHE CE1 C 130.099 0.300 1 1378 127 127 PHE CE2 C 130.099 0.300 1 1379 127 127 PHE CZ C 128.367 0.300 1 1380 127 127 PHE N N 116.122 0.300 1 1381 128 128 GLN H H 6.942 0.030 1 1382 128 128 GLN HA H 4.127 0.030 1 1383 128 128 GLN HB2 H 2.268 0.030 1 1384 128 128 GLN HB3 H 2.268 0.030 1 1385 128 128 GLN HE21 H 7.683 0.030 2 1386 128 128 GLN HE22 H 6.837 0.030 2 1387 128 128 GLN HG2 H 2.485 0.030 2 1388 128 128 GLN HG3 H 2.269 0.030 2 1389 128 128 GLN C C 176.796 0.300 1 1390 128 128 GLN CA C 58.686 0.300 1 1391 128 128 GLN CB C 29.247 0.300 1 1392 128 128 GLN CG C 33.830 0.300 1 1393 128 128 GLN N N 117.272 0.300 1 1394 128 128 GLN NE2 N 112.112 0.300 1 1395 129 129 LYS H H 8.314 0.030 1 1396 129 129 LYS HA H 4.294 0.030 1 1397 129 129 LYS HB2 H 2.014 0.030 2 1398 129 129 LYS HB3 H 1.794 0.030 2 1399 129 129 LYS HE2 H 3.041 0.030 2 1400 129 129 LYS HG2 H 1.461 0.030 2 1401 129 129 LYS C C 175.945 0.300 1 1402 129 129 LYS CA C 56.583 0.300 1 1403 129 129 LYS CB C 31.953 0.300 1 1404 129 129 LYS CD C 29.113 0.300 1 1405 129 129 LYS CE C 42.199 0.300 1 1406 129 129 LYS CG C 25.197 0.300 1 1407 129 129 LYS N N 116.378 0.300 1 1408 130 130 ASP H H 8.004 0.030 1 1409 130 130 ASP HA H 5.184 0.030 1 1410 130 130 ASP HB2 H 3.362 0.030 2 1411 130 130 ASP HB3 H 2.645 0.030 2 1412 130 130 ASP C C 175.773 0.300 1 1413 130 130 ASP CA C 50.982 0.300 1 1414 130 130 ASP CB C 42.904 0.300 1 1415 130 130 ASP N N 121.832 0.300 1 1416 131 131 PRO HA H 4.431 0.030 1 1417 131 131 PRO HB2 H 2.043 0.030 2 1418 131 131 PRO HB3 H 2.438 0.030 2 1419 131 131 PRO HD2 H 4.125 0.030 2 1420 131 131 PRO HD3 H 4.029 0.030 2 1421 131 131 PRO HG2 H 2.083 0.030 2 1422 131 131 PRO C C 179.023 0.300 1 1423 131 131 PRO CA C 64.596 0.300 1 1424 131 131 PRO CB C 32.361 0.300 1 1425 131 131 PRO CD C 51.548 0.300 1 1426 131 131 PRO CG C 27.198 0.300 1 1427 132 132 GLN H H 8.667 0.030 1 1428 132 132 GLN HA H 4.144 0.030 1 1429 132 132 GLN HB2 H 1.984 0.030 2 1430 132 132 GLN HB3 H 1.792 0.030 2 1431 132 132 GLN HE21 H 7.809 0.030 2 1432 132 132 GLN HE22 H 6.498 0.030 2 1433 132 132 GLN HG2 H 2.181 0.030 1 1434 132 132 GLN HG3 H 2.181 0.030 1 1435 132 132 GLN C C 177.991 0.300 1 1436 132 132 GLN CA C 58.277 0.300 1 1437 132 132 GLN CB C 28.286 0.300 1 1438 132 132 GLN CG C 33.853 0.300 1 1439 132 132 GLN N N 118.168 0.300 1 1440 132 132 GLN NE2 N 111.673 0.300 1 1441 133 133 PHE H H 7.991 0.030 1 1442 133 133 PHE HA H 4.663 0.030 1 1443 133 133 PHE HB2 H 3.271 0.030 2 1444 133 133 PHE HB3 H 3.064 0.030 2 1445 133 133 PHE HD1 H 6.923 0.030 1 1446 133 133 PHE HD2 H 6.923 0.030 1 1447 133 133 PHE HE1 H 6.490 0.030 1 1448 133 133 PHE HE2 H 6.490 0.030 1 1449 133 133 PHE HZ H 5.824 0.030 1 1450 133 133 PHE C C 177.160 0.300 1 1451 133 133 PHE CA C 58.806 0.300 1 1452 133 133 PHE CB C 38.911 0.300 1 1453 133 133 PHE CD1 C 131.554 0.300 1 1454 133 133 PHE CD2 C 131.554 0.300 1 1455 133 133 PHE CE1 C 130.695 0.300 1 1456 133 133 PHE CE2 C 130.695 0.300 1 1457 133 133 PHE CZ C 128.081 0.300 1 1458 133 133 PHE N N 117.661 0.300 1 1459 134 134 SER H H 7.826 0.030 1 1460 134 134 SER HA H 4.315 0.030 1 1461 134 134 SER HB2 H 4.071 0.030 1 1462 134 134 SER HB3 H 4.071 0.030 1 1463 134 134 SER C C 176.451 0.300 1 1464 134 134 SER CA C 61.647 0.300 1 1465 134 134 SER CB C 63.041 0.300 1 1466 134 134 SER N N 117.522 0.300 1 1467 135 135 LEU H H 7.943 0.030 1 1468 135 135 LEU HA H 4.296 0.030 1 1469 135 135 LEU HB2 H 1.436 0.030 2 1470 135 135 LEU HB3 H 1.792 0.030 2 1471 135 135 LEU HD1 H 0.774 0.030 1 1472 135 135 LEU HD2 H 0.877 0.030 1 1473 135 135 LEU HG H 1.610 0.030 1 1474 135 135 LEU C C 180.421 0.300 1 1475 135 135 LEU CA C 57.895 0.300 1 1476 135 135 LEU CB C 42.017 0.300 1 1477 135 135 LEU CD1 C 24.729 0.300 2 1478 135 135 LEU CD2 C 24.148 0.300 2 1479 135 135 LEU CG C 27.597 0.300 1 1480 135 135 LEU N N 122.383 0.300 1 1481 136 136 ILE H H 7.475 0.030 1 1482 136 136 ILE HA H 4.004 0.030 1 1483 136 136 ILE HB H 2.646 0.030 1 1484 136 136 ILE HD1 H 1.165 0.030 1 1485 136 136 ILE HG12 H 1.786 0.030 1 1486 136 136 ILE HG13 H 1.786 0.030 1 1487 136 136 ILE HG2 H 1.303 0.030 1 1488 136 136 ILE C C 178.011 0.300 1 1489 136 136 ILE CA C 63.138 0.300 1 1490 136 136 ILE CB C 35.570 0.300 1 1491 136 136 ILE CD1 C 9.186 0.300 1 1492 136 136 ILE CG1 C 28.628 0.300 1 1493 136 136 ILE CG2 C 18.146 0.300 1 1494 136 136 ILE N N 121.352 0.300 1 1495 137 137 SER H H 8.275 0.030 1 1496 137 137 SER HA H 4.104 0.030 1 1497 137 137 SER HB2 H 4.045 0.030 2 1498 137 137 SER C C 177.322 0.300 1 1499 137 137 SER CA C 62.369 0.300 1 1500 137 137 SER N N 116.497 0.300 1 1501 138 138 ALA H H 8.494 0.030 1 1502 138 138 ALA HA H 4.157 0.030 1 1503 138 138 ALA HB H 1.553 0.030 1 1504 138 138 ALA C C 180.360 0.300 1 1505 138 138 ALA CA C 55.165 0.300 1 1506 138 138 ALA CB C 18.599 0.300 1 1507 138 138 ALA N N 124.129 0.300 1 1508 139 139 THR H H 8.118 0.030 1 1509 139 139 THR HA H 3.927 0.030 1 1510 139 139 THR HB H 4.476 0.030 1 1511 139 139 THR HG2 H 1.251 0.030 1 1512 139 139 THR C C 175.985 0.300 1 1513 139 139 THR CA C 67.356 0.300 1 1514 139 139 THR CB C 68.438 0.300 1 1515 139 139 THR CG2 C 21.271 0.300 1 1516 139 139 THR N N 118.523 0.300 1 1517 140 140 ILE H H 7.996 0.030 1 1518 140 140 ILE HA H 3.171 0.030 1 1519 140 140 ILE HB H 1.663 0.030 1 1520 140 140 ILE HD1 H 0.686 0.030 1 1521 140 140 ILE HG12 H 1.711 0.030 2 1522 140 140 ILE HG13 H 0.443 0.030 2 1523 140 140 ILE HG2 H -0.066 0.030 1 1524 140 140 ILE C C 177.059 0.300 1 1525 140 140 ILE CA C 65.822 0.300 1 1526 140 140 ILE CB C 38.371 0.300 1 1527 140 140 ILE CD1 C 14.521 0.300 1 1528 140 140 ILE CG1 C 28.149 0.300 1 1529 140 140 ILE CG2 C 15.356 0.300 1 1530 140 140 ILE N N 122.376 0.300 1 1531 141 141 LYS H H 7.730 0.030 1 1532 141 141 LYS HA H 3.784 0.030 1 1533 141 141 LYS HB2 H 1.882 0.030 2 1534 141 141 LYS HD2 H 1.663 0.030 2 1535 141 141 LYS HE2 H 2.965 0.030 2 1536 141 141 LYS HG2 H 1.481 0.030 2 1537 141 141 LYS HG3 H 1.343 0.030 2 1538 141 141 LYS C C 178.841 0.300 1 1539 141 141 LYS CA C 60.334 0.300 1 1540 141 141 LYS CB C 32.475 0.300 1 1541 141 141 LYS CD C 29.341 0.300 1 1542 141 141 LYS CE C 42.274 0.300 1 1543 141 141 LYS CG C 25.057 0.300 1 1544 141 141 LYS N N 118.511 0.300 1 1545 142 142 SER H H 8.073 0.030 1 1546 142 142 SER HA H 4.263 0.030 1 1547 142 142 SER HB2 H 4.004 0.030 1 1548 142 142 SER HB3 H 4.004 0.030 1 1549 142 142 SER C C 177.484 0.300 1 1550 142 142 SER CA C 61.450 0.300 1 1551 142 142 SER CB C 62.828 0.300 1 1552 142 142 SER N N 113.487 0.300 1 1553 143 143 MET H H 8.337 0.030 1 1554 143 143 MET HA H 4.240 0.030 1 1555 143 143 MET HB2 H 3.003 0.030 2 1556 143 143 MET HB3 H 2.427 0.030 2 1557 143 143 MET HE H 2.069 0.030 1 1558 143 143 MET HG2 H 2.191 0.030 2 1559 143 143 MET HG3 H 2.463 0.030 2 1560 143 143 MET C C 179.165 0.300 1 1561 143 143 MET CA C 60.011 0.300 1 1562 143 143 MET CB C 34.071 0.300 1 1563 143 143 MET CE C 18.317 0.300 1 1564 143 143 MET CG C 33.848 0.300 1 1565 143 143 MET N N 121.006 0.300 1 1566 144 144 LYS H H 8.896 0.030 1 1567 144 144 LYS HA H 4.841 0.030 1 1568 144 144 LYS HB2 H 2.025 0.030 2 1569 144 144 LYS HB3 H 1.921 0.030 2 1570 144 144 LYS HD2 H 1.646 0.030 2 1571 144 144 LYS HD3 H 1.540 0.030 2 1572 144 144 LYS HE2 H 3.042 0.030 2 1573 144 144 LYS HE3 H 2.558 0.030 2 1574 144 144 LYS HG2 H 1.769 0.030 2 1575 144 144 LYS HG3 H 1.662 0.030 2 1576 144 144 LYS C C 182.183 0.300 1 1577 144 144 LYS CA C 59.923 0.300 1 1578 144 144 LYS CB C 32.681 0.300 1 1579 144 144 LYS CD C 30.310 0.300 1 1580 144 144 LYS CE C 41.993 0.300 1 1581 144 144 LYS CG C 26.994 0.300 1 1582 144 144 LYS N N 122.202 0.300 1 1583 145 145 GLU H H 7.948 0.030 1 1584 145 145 GLU HA H 4.108 0.030 1 1585 145 145 GLU HB2 H 2.315 0.030 2 1586 145 145 GLU HB3 H 2.159 0.030 2 1587 145 145 GLU HG2 H 2.572 0.030 2 1588 145 145 GLU HG3 H 2.327 0.030 2 1589 145 145 GLU C C 177.991 0.300 1 1590 145 145 GLU CA C 58.915 0.300 1 1591 145 145 GLU CB C 29.179 0.300 1 1592 145 145 GLU CG C 36.782 0.300 1 1593 145 145 GLU N N 120.419 0.300 1 1594 146 146 GLU H H 7.508 0.030 1 1595 146 146 GLU HA H 4.471 0.030 1 1596 146 146 GLU HB2 H 2.321 0.030 2 1597 146 146 GLU HB3 H 2.241 0.030 2 1598 146 146 GLU HG2 H 2.502 0.030 2 1599 146 146 GLU HG3 H 2.401 0.030 2 1600 146 146 GLU C C 176.613 0.300 1 1601 146 146 GLU CA C 56.191 0.300 1 1602 146 146 GLU CB C 30.003 0.300 1 1603 146 146 GLU CG C 36.662 0.300 1 1604 146 146 GLU N N 116.986 0.300 1 1605 147 147 GLY H H 7.906 0.030 1 1606 147 147 GLY HA2 H 4.302 0.030 2 1607 147 147 GLY HA3 H 3.694 0.030 2 1608 147 147 GLY C C 174.142 0.300 1 1609 147 147 GLY CA C 45.260 0.300 1 1610 147 147 GLY N N 107.166 0.300 1 1611 148 148 ILE H H 7.802 0.030 1 1612 148 148 ILE HA H 3.968 0.030 1 1613 148 148 ILE HB H 1.676 0.030 1 1614 148 148 ILE HD1 H 0.802 0.030 1 1615 148 148 ILE HG12 H 1.428 0.030 2 1616 148 148 ILE HG13 H 1.183 0.030 2 1617 148 148 ILE HG2 H 0.560 0.030 1 1618 148 148 ILE C C 175.783 0.300 1 1619 148 148 ILE CA C 60.892 0.300 1 1620 148 148 ILE CB C 37.333 0.300 1 1621 148 148 ILE CD1 C 12.389 0.300 1 1622 148 148 ILE CG1 C 28.080 0.300 1 1623 148 148 ILE CG2 C 18.265 0.300 1 1624 148 148 ILE N N 123.097 0.300 1 1625 149 149 THR H H 8.268 0.030 1 1626 149 149 THR HA H 4.507 0.030 1 1627 149 149 THR HB H 4.106 0.030 1 1628 149 149 THR HG2 H 1.161 0.030 1 1629 149 149 THR C C 174.041 0.300 1 1630 149 149 THR CA C 61.215 0.300 1 1631 149 149 THR CB C 69.984 0.300 1 1632 149 149 THR CG2 C 21.834 0.300 1 1633 149 149 THR N N 119.973 0.300 1 1634 150 150 PHE H H 8.967 0.030 1 1635 150 150 PHE HA H 4.660 0.030 1 1636 150 150 PHE HB2 H 2.866 0.030 2 1637 150 150 PHE HB3 H 2.652 0.030 2 1638 150 150 PHE HD1 H 7.241 0.030 1 1639 150 150 PHE HD2 H 7.241 0.030 1 1640 150 150 PHE HE1 H 7.151 0.030 1 1641 150 150 PHE HE2 H 7.151 0.030 1 1642 150 150 PHE HZ H 7.407 0.030 1 1643 150 150 PHE C C 173.006 0.300 1 1644 150 150 PHE CA C 55.609 0.300 1 1645 150 150 PHE CB C 41.043 0.300 1 1646 150 150 PHE CD1 C 131.943 0.300 1 1647 150 150 PHE CD2 C 131.943 0.300 1 1648 150 150 PHE CE1 C 131.275 0.300 1 1649 150 150 PHE CE2 C 131.275 0.300 1 1650 150 150 PHE CZ C 128.674 0.300 1 1651 150 150 PHE N N 122.713 0.300 1 1652 151 151 PRO HA H 4.743 0.030 1 1653 151 151 PRO HB2 H 2.302 0.030 2 1654 151 151 PRO HB3 H 1.999 0.030 2 1655 151 151 PRO HD2 H 3.644 0.030 2 1656 151 151 PRO HD3 H 3.519 0.030 2 1657 151 151 PRO HG2 H 2.085 0.030 2 1658 151 151 PRO CA C 61.059 0.300 1 1659 151 151 PRO CB C 30.926 0.300 1 1660 151 151 PRO CD C 50.699 0.300 1 1661 151 151 PRO CG C 26.786 0.300 1 1662 152 152 PRO HA H 4.440 0.030 1 1663 152 152 PRO HB2 H 2.255 0.030 2 1664 152 152 PRO HB3 H 1.886 0.030 2 1665 152 152 PRO HD2 H 3.744 0.030 2 1666 152 152 PRO HD3 H 3.598 0.030 2 1667 152 152 PRO HG2 H 1.989 0.030 1 1668 152 152 PRO HG3 H 1.989 0.030 1 1669 152 152 PRO C C 176.856 0.300 1 1670 152 152 PRO CA C 62.214 0.300 1 1671 152 152 PRO CB C 32.063 0.300 1 1672 152 152 PRO CD C 50.130 0.300 1 1673 152 152 PRO CG C 27.284 0.300 1 1674 153 153 ALA H H 8.410 0.030 1 1675 153 153 ALA HA H 4.177 0.030 1 1676 153 153 ALA HB H 1.304 0.030 1 1677 153 153 ALA C C 178.477 0.300 1 1678 153 153 ALA CA C 52.342 0.300 1 1679 153 153 ALA CB C 19.274 0.300 1 1680 153 153 ALA N N 124.017 0.300 1 1681 154 154 GLY H H 9.001 0.030 1 1682 154 154 GLY HA2 H 3.955 0.030 2 1683 154 154 GLY HA3 H 3.904 0.030 2 1684 154 154 GLY C C 174.689 0.300 1 1685 154 154 GLY CA C 45.584 0.300 1 1686 154 154 GLY N N 110.131 0.300 1 1687 155 155 SER H H 8.201 0.030 1 1688 155 155 SER HA H 4.384 0.030 1 1689 155 155 SER HB2 H 3.869 0.030 2 1690 155 155 SER HB3 H 3.828 0.030 2 1691 155 155 SER C C 174.871 0.300 1 1692 155 155 SER CA C 58.688 0.300 1 1693 155 155 SER CB C 63.789 0.300 1 1694 155 155 SER N N 115.179 0.300 1 1695 156 156 GLN H H 8.513 0.030 1 1696 156 156 GLN HA H 4.415 0.030 1 1697 156 156 GLN HB2 H 2.161 0.030 2 1698 156 156 GLN HB3 H 1.997 0.030 2 1699 156 156 GLN HE21 H 7.546 0.030 2 1700 156 156 GLN HG2 H 2.350 0.030 1 1701 156 156 GLN HG3 H 2.350 0.030 1 1702 156 156 GLN C C 176.289 0.300 1 1703 156 156 GLN CA C 55.879 0.300 1 1704 156 156 GLN CB C 29.344 0.300 1 1705 156 156 GLN CG C 33.841 0.300 1 1706 156 156 GLN N N 121.968 0.300 1 1707 156 156 GLN NE2 N 112.807 0.300 1 1708 157 157 THR H H 8.188 0.030 1 1709 157 157 THR HA H 4.372 0.030 1 1710 157 157 THR HB H 4.235 0.030 1 1711 157 157 THR HG2 H 1.157 0.030 1 1712 157 157 THR C C 174.649 0.300 1 1713 157 157 THR CA C 61.825 0.300 1 1714 157 157 THR CB C 69.832 0.300 1 1715 157 157 THR CG2 C 21.541 0.300 1 1716 157 157 THR N N 114.879 0.300 1 1717 158 158 SER H H 8.343 0.030 1 1718 158 158 SER HA H 4.511 0.030 1 1719 158 158 SER HB2 H 3.872 0.030 2 1720 158 158 SER C C 174.487 0.300 1 1721 158 158 SER CA C 58.306 0.300 1 1722 158 158 SER CB C 64.064 0.300 1 1723 158 158 SER N N 118.105 0.300 1 1724 159 159 GLY H H 8.237 0.030 1 1725 159 159 GLY HA2 H 4.105 0.030 2 1726 159 159 GLY HA3 H 4.055 0.030 2 1727 159 159 GLY C C 171.753 0.300 1 1728 159 159 GLY CA C 44.600 0.300 1 1729 159 159 GLY N N 110.709 0.300 1 1730 160 160 PRO HA H 4.434 0.030 1 1731 160 160 PRO HB2 H 2.254 0.030 2 1732 160 160 PRO HB3 H 1.953 0.030 2 1733 160 160 PRO HD2 H 3.592 0.030 2 1734 160 160 PRO HD3 H 3.549 0.030 2 1735 160 160 PRO HG2 H 1.993 0.030 2 1736 160 160 PRO C C 177.423 0.300 1 1737 160 160 PRO CA C 63.243 0.300 1 1738 160 160 PRO CB C 32.200 0.300 1 1739 160 160 PRO CD C 49.773 0.300 1 1740 160 160 PRO CG C 27.168 0.300 1 1741 161 161 SER H H 8.537 0.030 1 1742 161 161 SER C C 174.702 0.300 1 1743 161 161 SER CA C 58.360 0.300 1 1744 161 161 SER CB C 64.045 0.300 1 1745 161 161 SER N N 116.451 0.300 1 stop_ save_