data_10336 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the DUF1000 domain of a thioredoxin-like protein 1 ; _BMRB_accession_number 10336 _BMRB_flat_file_name bmr10336.str _Entry_type new _Submission_date 2009-12-09 _Accession_date 2009-12-09 _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 Goroncy A. K. . 2 Kigawa T. . . 3 Koshiba S. . . 4 Kobayashi N. . . 5 Tochio N. . . 6 Inoue M. . . 7 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" 1014 "13C chemical shifts" 752 "15N chemical shifts" 183 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-12-09 original author . stop_ save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Solution structure of the C-terminal DUF1000 domain of the human thioredoxin-like 1 protein' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20455272 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Goroncy Alexander K. . 2 Koshiba Seizo . . 3 Tochio Naoya . . 4 Tomizawa Tadashi . . 5 Inoue Makoto . . 6 Tanaka Akiko . . 7 Sugano Sumio . . 8 Kigawa Takanori . . 9 Yokoyama Shigeyuki . . stop_ _Journal_abbreviation Proteins _Journal_volume 78 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2176 _Page_last 2180 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Thioredoxin-like protein 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'DUF1000 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 'DUF1000 domain' _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 171 _Mol_residue_sequence ; GSSGSSGGYMDLMPFINKAG CECLNESDEHGFDNCLRKDT TFLESDCDEQLLITVAFNQP VKLYSMKFQGPDNGQGPKYV KIFINLPRSMDFEEAERSEP TQALELTEDDIKEDGIVPLR YVKFQNVNSVTIFVQSNQGE EETTRISYFTFIGTPVQATN MNDFKSGPSSG ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 SER 4 GLY 5 SER 6 SER 7 GLY 8 GLY 9 TYR 10 MET 11 ASP 12 LEU 13 MET 14 PRO 15 PHE 16 ILE 17 ASN 18 LYS 19 ALA 20 GLY 21 CYS 22 GLU 23 CYS 24 LEU 25 ASN 26 GLU 27 SER 28 ASP 29 GLU 30 HIS 31 GLY 32 PHE 33 ASP 34 ASN 35 CYS 36 LEU 37 ARG 38 LYS 39 ASP 40 THR 41 THR 42 PHE 43 LEU 44 GLU 45 SER 46 ASP 47 CYS 48 ASP 49 GLU 50 GLN 51 LEU 52 LEU 53 ILE 54 THR 55 VAL 56 ALA 57 PHE 58 ASN 59 GLN 60 PRO 61 VAL 62 LYS 63 LEU 64 TYR 65 SER 66 MET 67 LYS 68 PHE 69 GLN 70 GLY 71 PRO 72 ASP 73 ASN 74 GLY 75 GLN 76 GLY 77 PRO 78 LYS 79 TYR 80 VAL 81 LYS 82 ILE 83 PHE 84 ILE 85 ASN 86 LEU 87 PRO 88 ARG 89 SER 90 MET 91 ASP 92 PHE 93 GLU 94 GLU 95 ALA 96 GLU 97 ARG 98 SER 99 GLU 100 PRO 101 THR 102 GLN 103 ALA 104 LEU 105 GLU 106 LEU 107 THR 108 GLU 109 ASP 110 ASP 111 ILE 112 LYS 113 GLU 114 ASP 115 GLY 116 ILE 117 VAL 118 PRO 119 LEU 120 ARG 121 TYR 122 VAL 123 LYS 124 PHE 125 GLN 126 ASN 127 VAL 128 ASN 129 SER 130 VAL 131 THR 132 ILE 133 PHE 134 VAL 135 GLN 136 SER 137 ASN 138 GLN 139 GLY 140 GLU 141 GLU 142 GLU 143 THR 144 THR 145 ARG 146 ILE 147 SER 148 TYR 149 PHE 150 THR 151 PHE 152 ILE 153 GLY 154 THR 155 PRO 156 VAL 157 GLN 158 ALA 159 THR 160 ASN 161 MET 162 ASN 163 ASP 164 PHE 165 LYS 166 SER 167 GLY 168 PRO 169 SER 170 SER 171 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 1WWY "Solution Structure Of The Duf1000 Domain Of A Thioredoxin-Li 1" 100.00 171 100.00 100.00 8.46e-122 DBJ BAC26626 "unnamed protein product [Mus musculus]" 92.40 289 98.10 99.37 3.01e-109 DBJ BAD92500 "thioredoxin-like 1 variant [Homo sapiens]" 92.40 280 100.00 100.00 5.98e-111 DBJ BAE25774 "unnamed protein product [Mus musculus]" 87.13 301 97.99 99.33 1.31e-101 DBJ BAE29469 "unnamed protein product [Mus musculus]" 92.40 289 98.10 99.37 3.01e-109 DBJ BAE29934 "unnamed protein product [Mus musculus]" 92.40 289 98.10 99.37 2.79e-109 GB AAC05830 "thioredoxin homolog [Homo sapiens]" 92.40 289 100.00 100.00 9.21e-111 GB AAC39599 "thioredoxin-like protein [Homo sapiens]" 92.40 289 100.00 100.00 9.21e-111 GB AAC39898 "thioredoxin-related protein [Homo sapiens]" 92.40 289 100.00 100.00 9.21e-111 GB AAC40183 "thioredoxin-related protein [Mus musculus]" 92.40 289 97.47 98.73 1.70e-108 GB AAF66676 "thioredoxin-like protein [Homo sapiens]" 92.40 289 100.00 100.00 9.21e-111 REF NP_001071354 "thioredoxin-like protein 1 [Bos taurus]" 92.40 289 99.37 99.37 4.38e-110 REF NP_001131150 "uncharacterized protein LOC100192458 [Zea mays]" 92.40 289 98.10 99.37 4.76e-109 REF NP_001231205 "thioredoxin-like protein 1 [Sus scrofa]" 92.40 289 99.37 99.37 5.04e-110 REF NP_001248637 "thioredoxin-like protein 1 [Macaca mulatta]" 92.40 289 100.00 100.00 7.99e-111 REF NP_004777 "thioredoxin-like protein 1 [Homo sapiens]" 92.40 289 100.00 100.00 9.21e-111 SP O43396 "RecName: Full=Thioredoxin-like protein 1; AltName: Full=32 kDa thioredoxin-related protein" 92.40 289 100.00 100.00 9.21e-111 SP Q8CDN6 "RecName: Full=Thioredoxin-like protein 1; AltName: Full=32 kDa thioredoxin-related protein" 92.40 289 98.10 99.37 3.01e-109 SP Q920J4 "RecName: Full=Thioredoxin-like protein 1; AltName: Full=Thioredoxin-related protein" 92.40 289 98.10 99.37 4.76e-109 TPG DAA15792 "TPA: thioredoxin-like 1 [Bos taurus]" 92.40 289 99.37 99.37 5.04e-110 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 P040621-12 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '1.02mM DUF1000 domain (15N, 13C -labeled), 20mM Tris-d11-HCl, 100mM NaCl, 1mM d-DTT, 0.02% NaN3' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity_1 1.02 mM '[U-13C; U-15N]' Tris-d11-HCl 20 mM . NaCl 100 mM . d-DTT 1 mM . NaN3 0.02 % . H2O 90 % . D2O 10 % . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.5 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version 20020425 loop_ _Vendor _Address _Electronic_address 'FRANK DELAGLIO' . . stop_ loop_ _Task processing stop_ _Details . save_ save_NMRVIEW _Saveframe_category software _Name NMRVIEW _Version 5.0.4 loop_ _Vendor _Address _Electronic_address 'BRUCE A. JOHNSON' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_KUJIRA _Saveframe_category software _Name KUJIRA _Version 0.896 loop_ _Vendor _Address _Electronic_address 'NAOHIRO KOBAYASHI' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_CYANA _Saveframe_category software _Name CYANA _Version 2 loop_ _Vendor _Address _Electronic_address 'PETER GUENTERT' . . stop_ loop_ _Task 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 . mM pH 7.0 . pH pressure 1 . atm temperature 298 . 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_ _Software_label $XWINNMR $NMRPipe $NMRVIEW $KUJIRA $CYANA stop_ 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 'DUF1000 domain' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 1 1 GLY HA2 H 3.813 0.030 1 2 1 1 GLY HA3 H 3.813 0.030 1 3 1 1 GLY CA C 43.923 0.300 1 4 2 2 SER H H 8.251 0.030 1 5 2 2 SER HA H 4.280 0.030 1 6 2 2 SER HB2 H 3.817 0.030 1 7 2 2 SER HB3 H 3.817 0.030 1 8 2 2 SER C C 174.129 0.300 1 9 2 2 SER CA C 56.292 0.300 1 10 2 2 SER CB C 63.918 0.300 1 11 3 3 SER H H 8.359 0.030 1 12 3 3 SER HA H 4.290 0.030 1 13 3 3 SER C C 174.636 0.300 1 14 3 3 SER CA C 55.185 0.300 1 15 3 3 SER CB C 59.613 0.300 1 16 3 3 SER N N 123.685 0.300 1 17 4 4 GLY HA2 H 3.910 0.030 1 18 4 4 GLY HA3 H 3.910 0.030 1 19 4 4 GLY C C 174.481 0.300 1 20 4 4 GLY CA C 45.360 0.300 1 21 5 5 SER H H 8.239 0.030 1 22 5 5 SER HA H 4.266 0.030 1 23 5 5 SER C C 174.429 0.300 1 24 5 5 SER CA C 62.073 0.300 1 25 5 5 SER N N 108.603 0.300 1 26 6 6 SER H H 8.315 0.030 1 27 6 6 SER HA H 4.247 0.030 1 28 6 6 SER HB2 H 4.089 0.030 1 29 6 6 SER HB3 H 4.089 0.030 1 30 6 6 SER C C 175.523 0.300 1 31 6 6 SER CA C 52.725 0.300 1 32 6 6 SER CB C 61.212 0.300 1 33 6 6 SER N N 122.596 0.300 1 34 7 7 GLY H H 8.365 0.030 1 35 7 7 GLY HA2 H 3.779 0.030 1 36 7 7 GLY HA3 H 3.779 0.030 1 37 7 7 GLY C C 174.036 0.300 1 38 7 7 GLY CA C 45.345 0.300 1 39 8 8 GLY H H 7.937 0.030 1 40 8 8 GLY HA2 H 3.632 0.030 1 41 8 8 GLY HA3 H 3.632 0.030 1 42 8 8 GLY C C 173.550 0.300 1 43 8 8 GLY CA C 44.880 0.300 1 44 8 8 GLY N N 107.981 0.300 1 45 9 9 TYR H H 7.580 0.030 1 46 9 9 TYR HA H 4.575 0.030 1 47 9 9 TYR HB2 H 2.969 0.030 2 48 9 9 TYR HB3 H 2.576 0.030 2 49 9 9 TYR HD1 H 6.568 0.030 1 50 9 9 TYR HD2 H 6.568 0.030 1 51 9 9 TYR HE1 H 6.110 0.030 1 52 9 9 TYR HE2 H 6.110 0.030 1 53 9 9 TYR C C 174.972 0.300 1 54 9 9 TYR CA C 56.769 0.300 1 55 9 9 TYR CB C 39.196 0.300 1 56 9 9 TYR CD1 C 131.565 0.300 1 57 9 9 TYR CD2 C 131.565 0.300 1 58 9 9 TYR CE1 C 117.789 0.300 1 59 9 9 TYR CE2 C 117.789 0.300 1 60 9 9 TYR N N 118.864 0.300 1 61 10 10 MET H H 9.472 0.030 1 62 10 10 MET HA H 4.925 0.030 1 63 10 10 MET HB2 H 2.238 0.030 2 64 10 10 MET HB3 H 2.088 0.030 2 65 10 10 MET HE H 2.185 0.030 1 66 10 10 MET HG2 H 2.363 0.030 2 67 10 10 MET HG3 H 2.807 0.030 2 68 10 10 MET C C 174.525 0.300 1 69 10 10 MET CA C 54.201 0.300 1 70 10 10 MET CB C 36.859 0.300 1 71 10 10 MET CE C 16.811 0.300 1 72 10 10 MET CG C 29.971 0.300 1 73 10 10 MET N N 118.708 0.300 1 74 11 11 ASP H H 8.534 0.030 1 75 11 11 ASP HA H 4.691 0.030 1 76 11 11 ASP HB2 H 2.845 0.030 2 77 11 11 ASP HB3 H 2.662 0.030 2 78 11 11 ASP C C 177.468 0.300 1 79 11 11 ASP CA C 54.913 0.300 1 80 11 11 ASP CB C 41.041 0.300 1 81 11 11 ASP N N 120.963 0.300 1 82 12 12 LEU H H 9.066 0.030 1 83 12 12 LEU HA H 4.744 0.030 1 84 12 12 LEU HB2 H 1.864 0.030 2 85 12 12 LEU HB3 H 1.769 0.030 2 86 12 12 LEU HD1 H 0.444 0.030 1 87 12 12 LEU HD2 H 0.480 0.030 1 88 12 12 LEU HG H 1.835 0.030 1 89 12 12 LEU C C 177.451 0.300 1 90 12 12 LEU CA C 54.505 0.300 1 91 12 12 LEU CB C 42.394 0.300 1 92 12 12 LEU CD1 C 26.773 0.300 2 93 12 12 LEU CD2 C 21.989 0.300 2 94 12 12 LEU CG C 26.158 0.300 1 95 12 12 LEU N N 125.705 0.300 1 96 13 13 MET H H 8.675 0.030 1 97 13 13 MET HA H 4.497 0.030 1 98 13 13 MET HB2 H 2.073 0.030 2 99 13 13 MET HB3 H 2.614 0.030 2 100 13 13 MET HE H 2.122 0.030 1 101 13 13 MET HG2 H 2.700 0.030 2 102 13 13 MET HG3 H 2.804 0.030 2 103 13 13 MET C C 175.994 0.300 1 104 13 13 MET CA C 59.966 0.300 1 105 13 13 MET CB C 29.113 0.300 1 106 13 13 MET CE C 17.180 0.300 1 107 13 13 MET CG C 32.205 0.300 1 108 13 13 MET N N 123.373 0.300 1 109 14 14 PRO HA H 4.346 0.030 1 110 14 14 PRO HB2 H 2.169 0.030 2 111 14 14 PRO HB3 H 1.021 0.030 2 112 14 14 PRO HD2 H 3.593 0.030 1 113 14 14 PRO HD3 H 3.593 0.030 1 114 14 14 PRO HG2 H 1.827 0.030 1 115 14 14 PRO HG3 H 1.827 0.030 1 116 14 14 PRO C C 176.841 0.300 1 117 14 14 PRO CA C 65.470 0.300 1 118 14 14 PRO CB C 31.201 0.300 1 119 14 14 PRO CD C 50.865 0.300 1 120 14 14 PRO CG C 27.955 0.300 1 121 15 15 PHE H H 8.391 0.030 1 122 15 15 PHE HA H 4.743 0.030 1 123 15 15 PHE HB2 H 3.600 0.030 2 124 15 15 PHE HB3 H 3.251 0.030 2 125 15 15 PHE HD1 H 7.288 0.030 1 126 15 15 PHE HD2 H 7.288 0.030 1 127 15 15 PHE HE1 H 7.323 0.030 1 128 15 15 PHE HE2 H 7.323 0.030 1 129 15 15 PHE HZ H 7.286 0.030 1 130 15 15 PHE C C 175.192 0.300 1 131 15 15 PHE CA C 57.401 0.300 1 132 15 15 PHE CB C 39.196 0.300 1 133 15 15 PHE CD1 C 131.442 0.300 1 134 15 15 PHE CD2 C 131.442 0.300 1 135 15 15 PHE CE1 C 131.319 0.300 1 136 15 15 PHE CE2 C 131.319 0.300 1 137 15 15 PHE CZ C 129.843 0.300 1 138 15 15 PHE N N 114.433 0.300 1 139 16 16 ILE H H 7.974 0.030 1 140 16 16 ILE HA H 4.020 0.030 1 141 16 16 ILE HB H 2.025 0.030 1 142 16 16 ILE HD1 H 0.903 0.030 1 143 16 16 ILE HG12 H 1.891 0.030 2 144 16 16 ILE HG13 H 0.692 0.030 2 145 16 16 ILE HG2 H 0.720 0.030 1 146 16 16 ILE C C 175.853 0.300 1 147 16 16 ILE CA C 63.131 0.300 1 148 16 16 ILE CB C 38.458 0.300 1 149 16 16 ILE CD1 C 13.244 0.300 1 150 16 16 ILE CG1 C 28.696 0.300 1 151 16 16 ILE CG2 C 16.688 0.300 1 152 16 16 ILE N N 121.741 0.300 1 153 17 17 ASN H H 8.772 0.030 1 154 17 17 ASN HA H 4.906 0.030 1 155 17 17 ASN HB2 H 2.505 0.030 2 156 17 17 ASN HB3 H 2.590 0.030 2 157 17 17 ASN HD21 H 6.945 0.030 2 158 17 17 ASN HD22 H 7.571 0.030 2 159 17 17 ASN C C 176.364 0.300 1 160 17 17 ASN CA C 50.773 0.300 1 161 17 17 ASN CB C 37.474 0.300 1 162 17 17 ASN N N 125.783 0.300 1 163 17 17 ASN ND2 N 110.157 0.300 1 164 18 18 LYS H H 8.942 0.030 1 165 18 18 LYS HA H 4.164 0.030 1 166 18 18 LYS HB2 H 1.969 0.030 2 167 18 18 LYS HB3 H 1.881 0.030 2 168 18 18 LYS HD2 H 1.742 0.030 2 169 18 18 LYS HD3 H 1.804 0.030 2 170 18 18 LYS HE2 H 3.016 0.030 1 171 18 18 LYS HE3 H 3.016 0.030 1 172 18 18 LYS HG2 H 1.463 0.030 2 173 18 18 LYS HG3 H 1.639 0.030 2 174 18 18 LYS C C 178.696 0.300 1 175 18 18 LYS CA C 60.351 0.300 1 176 18 18 LYS CB C 31.693 0.300 1 177 18 18 LYS CD C 28.599 0.300 1 178 18 18 LYS CE C 41.756 0.300 1 179 18 18 LYS CG C 25.378 0.300 1 180 18 18 LYS N N 127.094 0.300 1 181 19 19 ALA H H 7.990 0.030 1 182 19 19 ALA HA H 4.254 0.030 1 183 19 19 ALA HB H 1.462 0.030 1 184 19 19 ALA C C 178.168 0.300 1 185 19 19 ALA CA C 53.975 0.300 1 186 19 19 ALA CB C 18.169 0.300 1 187 19 19 ALA N N 119.408 0.300 1 188 20 20 GLY H H 7.540 0.030 1 189 20 20 GLY HA2 H 4.396 0.030 2 190 20 20 GLY HA3 H 3.332 0.030 2 191 20 20 GLY C C 173.867 0.300 1 192 20 20 GLY CA C 44.818 0.300 1 193 20 20 GLY N N 104.314 0.300 1 194 21 21 CYS H H 7.122 0.030 1 195 21 21 CYS HA H 4.758 0.030 1 196 21 21 CYS HB2 H 2.525 0.030 2 197 21 21 CYS HB3 H 3.093 0.030 2 198 21 21 CYS C C 173.855 0.300 1 199 21 21 CYS CA C 58.910 0.300 1 200 21 21 CYS CB C 29.848 0.300 1 201 21 21 CYS N N 117.387 0.300 1 202 22 22 GLU H H 8.614 0.030 1 203 22 22 GLU HA H 4.369 0.030 1 204 22 22 GLU HB2 H 1.874 0.030 2 205 22 22 GLU HB3 H 1.804 0.030 2 206 22 22 GLU HG2 H 1.993 0.030 2 207 22 22 GLU HG3 H 1.953 0.030 2 208 22 22 GLU C C 173.560 0.300 1 209 22 22 GLU CA C 55.545 0.300 1 210 22 22 GLU CB C 34.153 0.300 1 211 22 22 GLU CG C 36.420 0.300 1 212 22 22 GLU N N 120.264 0.300 1 213 23 23 CYS H H 8.951 0.030 1 214 23 23 CYS HA H 5.182 0.030 1 215 23 23 CYS HB2 H 3.023 0.030 2 216 23 23 CYS HB3 H 2.060 0.030 2 217 23 23 CYS C C 173.256 0.300 1 218 23 23 CYS CA C 57.564 0.300 1 219 23 23 CYS CB C 28.126 0.300 1 220 23 23 CYS N N 124.539 0.300 1 221 24 24 LEU H H 9.109 0.030 1 222 24 24 LEU HA H 4.703 0.030 1 223 24 24 LEU HB2 H 1.737 0.030 1 224 24 24 LEU HB3 H 1.737 0.030 1 225 24 24 LEU HD1 H 0.783 0.030 1 226 24 24 LEU HD2 H 0.766 0.030 1 227 24 24 LEU HG H 1.587 0.030 1 228 24 24 LEU C C 177.542 0.300 1 229 24 24 LEU CA C 54.954 0.300 1 230 24 24 LEU CB C 42.895 0.300 1 231 24 24 LEU CD1 C 24.899 0.300 2 232 24 24 LEU CD2 C 22.837 0.300 2 233 24 24 LEU CG C 27.388 0.300 1 234 24 24 LEU N N 129.283 0.300 1 235 25 25 ASN H H 9.066 0.030 1 236 25 25 ASN HA H 4.718 0.030 1 237 25 25 ASN HB2 H 2.650 0.030 1 238 25 25 ASN HB3 H 2.650 0.030 1 239 25 25 ASN HD21 H 6.250 0.030 2 240 25 25 ASN HD22 H 9.189 0.030 2 241 25 25 ASN C C 175.057 0.300 1 242 25 25 ASN CA C 53.669 0.300 1 243 25 25 ASN CB C 38.823 0.300 1 244 25 25 ASN N N 118.320 0.300 1 245 25 25 ASN ND2 N 115.210 0.300 1 246 26 26 GLU H H 7.719 0.030 1 247 26 26 GLU HA H 4.186 0.030 1 248 26 26 GLU HB2 H 2.248 0.030 2 249 26 26 GLU HB3 H 2.137 0.030 2 250 26 26 GLU HG2 H 2.649 0.030 2 251 26 26 GLU HG3 H 2.252 0.030 2 252 26 26 GLU C C 176.699 0.300 1 253 26 26 GLU CA C 55.892 0.300 1 254 26 26 GLU CB C 32.209 0.300 1 255 26 26 GLU CG C 35.014 0.300 1 256 26 26 GLU N N 117.853 0.300 1 257 27 27 SER H H 8.502 0.030 1 258 27 27 SER HA H 4.280 0.030 1 259 27 27 SER HB2 H 4.082 0.030 2 260 27 27 SER HB3 H 4.150 0.030 2 261 27 27 SER C C 174.627 0.300 1 262 27 27 SER CA C 58.340 0.300 1 263 27 27 SER CB C 64.287 0.300 1 264 27 27 SER N N 120.565 0.300 1 265 28 28 ASP H H 8.824 0.030 1 266 28 28 ASP HA H 4.377 0.030 1 267 28 28 ASP HB2 H 2.650 0.030 1 268 28 28 ASP HB3 H 2.650 0.030 1 269 28 28 ASP C C 177.119 0.300 1 270 28 28 ASP CA C 56.525 0.300 1 271 28 28 ASP CB C 41.041 0.300 1 272 28 28 ASP N N 124.539 0.300 1 273 29 29 GLU H H 8.133 0.030 1 274 29 29 GLU HA H 4.044 0.030 1 275 29 29 GLU HB2 H 1.679 0.030 2 276 29 29 GLU HB3 H 1.483 0.030 2 277 29 29 GLU HG2 H 1.992 0.030 2 278 29 29 GLU HG3 H 1.713 0.030 2 279 29 29 GLU C C 175.970 0.300 1 280 29 29 GLU CA C 57.380 0.300 1 281 29 29 GLU CB C 31.570 0.300 1 282 29 29 GLU CG C 36.244 0.300 1 283 29 29 GLU N N 117.162 0.300 1 284 30 30 HIS H H 7.298 0.030 1 285 30 30 HIS HA H 4.569 0.030 1 286 30 30 HIS HB2 H 3.497 0.030 2 287 30 30 HIS HB3 H 2.972 0.030 2 288 30 30 HIS HD2 H 7.116 0.030 1 289 30 30 HIS HE1 H 8.027 0.030 1 290 30 30 HIS C C 174.245 0.300 1 291 30 30 HIS CA C 54.322 0.300 1 292 30 30 HIS CB C 30.832 0.300 1 293 30 30 HIS CD2 C 120.864 0.300 1 294 30 30 HIS CE1 C 137.715 0.300 1 295 30 30 HIS N N 120.264 0.300 1 296 31 31 GLY H H 8.004 0.030 1 297 31 31 GLY HA2 H 3.959 0.030 2 298 31 31 GLY HA3 H 4.689 0.030 2 299 31 31 GLY C C 174.873 0.300 1 300 31 31 GLY CA C 45.634 0.300 1 301 31 31 GLY N N 109.302 0.300 1 302 32 32 PHE H H 9.407 0.030 1 303 32 32 PHE HA H 4.282 0.030 1 304 32 32 PHE HB2 H 2.973 0.030 2 305 32 32 PHE HB3 H 3.284 0.030 2 306 32 32 PHE HD1 H 7.215 0.030 1 307 32 32 PHE HD2 H 7.215 0.030 1 308 32 32 PHE HE1 H 7.174 0.030 1 309 32 32 PHE HE2 H 7.174 0.030 1 310 32 32 PHE HZ H 7.079 0.030 1 311 32 32 PHE C C 176.852 0.300 1 312 32 32 PHE CA C 61.212 0.300 1 313 32 32 PHE CB C 40.115 0.300 1 314 32 32 PHE CD1 C 131.688 0.300 1 315 32 32 PHE CD2 C 131.688 0.300 1 316 32 32 PHE CE1 C 131.073 0.300 1 317 32 32 PHE CE2 C 131.073 0.300 1 318 32 32 PHE CZ C 129.105 0.300 1 319 32 32 PHE N N 118.320 0.300 1 320 33 33 ASP H H 8.830 0.030 1 321 33 33 ASP HA H 3.887 0.030 1 322 33 33 ASP HB2 H 2.511 0.030 1 323 33 33 ASP HB3 H 2.511 0.030 1 324 33 33 ASP C C 178.144 0.300 1 325 33 33 ASP CA C 57.462 0.300 1 326 33 33 ASP CB C 40.260 0.300 1 327 33 33 ASP N N 116.610 0.300 1 328 34 34 ASN H H 7.414 0.030 1 329 34 34 ASN HA H 4.130 0.030 1 330 34 34 ASN HB2 H 2.668 0.030 1 331 34 34 ASN HB3 H 2.668 0.030 1 332 34 34 ASN HD21 H 7.597 0.030 2 333 34 34 ASN HD22 H 7.285 0.030 2 334 34 34 ASN C C 178.348 0.300 1 335 34 34 ASN CA C 55.260 0.300 1 336 34 34 ASN CB C 37.966 0.300 1 337 34 34 ASN N N 114.650 0.300 1 338 34 34 ASN ND2 N 111.867 0.300 1 339 35 35 CYS H H 7.675 0.030 1 340 35 35 CYS HA H 4.906 0.030 1 341 35 35 CYS HB2 H 2.576 0.030 2 342 35 35 CYS HB3 H 2.902 0.030 2 343 35 35 CYS C C 172.579 0.300 1 344 35 35 CYS CA C 58.482 0.300 1 345 35 35 CYS CB C 27.513 0.300 1 346 35 35 CYS N N 114.588 0.300 1 347 36 36 LEU H H 6.759 0.030 1 348 36 36 LEU HA H 4.535 0.030 1 349 36 36 LEU HB2 H 1.649 0.030 1 350 36 36 LEU HB3 H 1.649 0.030 1 351 36 36 LEU HD1 H 0.760 0.030 1 352 36 36 LEU HD2 H 0.622 0.030 1 353 36 36 LEU HG H 1.224 0.030 1 354 36 36 LEU C C 177.084 0.300 1 355 36 36 LEU CA C 54.301 0.300 1 356 36 36 LEU CB C 41.410 0.300 1 357 36 36 LEU CD1 C 26.035 0.300 2 358 36 36 LEU CD2 C 22.066 0.300 2 359 36 36 LEU CG C 26.158 0.300 1 360 36 36 LEU N N 117.775 0.300 1 361 37 37 ARG H H 6.983 0.030 1 362 37 37 ARG HA H 4.451 0.030 1 363 37 37 ARG HB2 H 1.494 0.030 2 364 37 37 ARG HB3 H 1.701 0.030 2 365 37 37 ARG HD2 H 3.047 0.030 2 366 37 37 ARG HD3 H 3.265 0.030 2 367 37 37 ARG HE H 7.500 0.030 1 368 37 37 ARG HG2 H 1.584 0.030 2 369 37 37 ARG HG3 H 1.356 0.030 2 370 37 37 ARG C C 175.353 0.300 1 371 37 37 ARG CA C 54.831 0.300 1 372 37 37 ARG CB C 33.120 0.300 1 373 37 37 ARG CD C 43.413 0.300 1 374 37 37 ARG CG C 27.974 0.300 1 375 37 37 ARG N N 116.804 0.300 1 376 37 37 ARG NE N 85.046 0.300 1 377 38 38 LYS H H 8.668 0.030 1 378 38 38 LYS HA H 3.632 0.030 1 379 38 38 LYS HB2 H 1.569 0.030 2 380 38 38 LYS HB3 H 0.654 0.030 2 381 38 38 LYS HD2 H 1.299 0.030 2 382 38 38 LYS HD3 H 1.264 0.030 2 383 38 38 LYS HE2 H 2.837 0.030 2 384 38 38 LYS HE3 H 2.766 0.030 2 385 38 38 LYS HG2 H 0.470 0.030 2 386 38 38 LYS HG3 H 0.785 0.030 2 387 38 38 LYS C C 173.520 0.300 1 388 38 38 LYS CA C 55.463 0.300 1 389 38 38 LYS CB C 29.602 0.300 1 390 38 38 LYS CD C 29.110 0.300 1 391 38 38 LYS CE C 42.032 0.300 1 392 38 38 LYS CG C 24.878 0.300 1 393 38 38 LYS N N 127.494 0.300 1 394 39 39 ASP H H 8.267 0.030 1 395 39 39 ASP HA H 4.610 0.030 1 396 39 39 ASP HB2 H 2.830 0.030 2 397 39 39 ASP HB3 H 3.195 0.030 2 398 39 39 ASP C C 177.273 0.300 1 399 39 39 ASP CA C 52.323 0.300 1 400 39 39 ASP CB C 41.287 0.300 1 401 39 39 ASP N N 125.628 0.300 1 402 40 40 THR H H 8.021 0.030 1 403 40 40 THR HA H 4.320 0.030 1 404 40 40 THR HB H 4.578 0.030 1 405 40 40 THR HG2 H 1.235 0.030 1 406 40 40 THR C C 176.426 0.300 1 407 40 40 THR CA C 62.520 0.300 1 408 40 40 THR CB C 68.724 0.300 1 409 40 40 THR CG2 C 21.853 0.300 1 410 40 40 THR N N 106.971 0.300 1 411 41 41 THR H H 8.045 0.030 1 412 41 41 THR HA H 4.260 0.030 1 413 41 41 THR HB H 4.022 0.030 1 414 41 41 THR HG2 H 1.046 0.030 1 415 41 41 THR C C 174.487 0.300 1 416 41 41 THR CA C 62.565 0.300 1 417 41 41 THR CB C 69.442 0.300 1 418 41 41 THR CG2 C 21.853 0.300 1 419 41 41 THR N N 116.235 0.300 1 420 42 42 PHE H H 7.761 0.030 1 421 42 42 PHE HA H 5.238 0.030 1 422 42 42 PHE HB2 H 2.731 0.030 2 423 42 42 PHE HB3 H 2.450 0.030 2 424 42 42 PHE HD1 H 6.853 0.030 1 425 42 42 PHE HD2 H 6.853 0.030 1 426 42 42 PHE HE1 H 6.898 0.030 1 427 42 42 PHE HE2 H 6.898 0.030 1 428 42 42 PHE HZ H 6.645 0.030 1 429 42 42 PHE C C 174.474 0.300 1 430 42 42 PHE CA C 54.627 0.300 1 431 42 42 PHE CB C 41.287 0.300 1 432 42 42 PHE CD1 C 132.303 0.300 1 433 42 42 PHE CD2 C 132.303 0.300 1 434 42 42 PHE CE1 C 130.704 0.300 1 435 42 42 PHE CE2 C 130.704 0.300 1 436 42 42 PHE CZ C 128.982 0.300 1 437 42 42 PHE N N 114.899 0.300 1 438 43 43 LEU H H 8.759 0.030 1 439 43 43 LEU HA H 4.561 0.030 1 440 43 43 LEU HB2 H 1.856 0.030 2 441 43 43 LEU HB3 H 1.683 0.030 2 442 43 43 LEU HD1 H 1.254 0.030 1 443 43 43 LEU HD2 H 0.894 0.030 1 444 43 43 LEU HG H 1.215 0.030 1 445 43 43 LEU C C 174.936 0.300 1 446 43 43 LEU CA C 53.404 0.300 1 447 43 43 LEU CB C 44.967 0.300 1 448 43 43 LEU CD1 C 23.944 0.300 2 449 43 43 LEU CD2 C 24.928 0.300 2 450 43 43 LEU CG C 28.987 0.300 1 451 43 43 LEU N N 124.073 0.300 1 452 44 44 GLU H H 8.550 0.030 1 453 44 44 GLU HA H 5.997 0.030 1 454 44 44 GLU HB2 H 2.026 0.030 2 455 44 44 GLU HB3 H 2.309 0.030 2 456 44 44 GLU HG2 H 2.180 0.030 2 457 44 44 GLU HG3 H 3.453 0.030 2 458 44 44 GLU C C 174.684 0.300 1 459 44 44 GLU CA C 53.463 0.300 1 460 44 44 GLU CB C 35.137 0.300 1 461 44 44 GLU CG C 37.432 0.300 1 462 44 44 GLU N N 122.207 0.300 1 463 45 45 SER H H 8.632 0.030 1 464 45 45 SER HA H 5.132 0.030 1 465 45 45 SER HB2 H 4.506 0.030 2 466 45 45 SER HB3 H 3.590 0.030 2 467 45 45 SER C C 173.718 0.300 1 468 45 45 SER CA C 58.645 0.300 1 469 45 45 SER CB C 64.651 0.300 1 470 45 45 SER N N 120.497 0.300 1 471 46 46 ASP H H 7.715 0.030 1 472 46 46 ASP HA H 4.718 0.030 1 473 46 46 ASP HB2 H 2.121 0.030 2 474 46 46 ASP HB3 H 2.904 0.030 2 475 46 46 ASP C C 176.363 0.300 1 476 46 46 ASP CA C 55.892 0.300 1 477 46 46 ASP CB C 42.033 0.300 1 478 46 46 ASP N N 117.076 0.300 1 479 47 47 CYS H H 8.851 0.030 1 480 47 47 CYS HA H 4.378 0.030 1 481 47 47 CYS HB2 H 2.969 0.030 2 482 47 47 CYS HB3 H 2.916 0.030 2 483 47 47 CYS C C 174.286 0.300 1 484 47 47 CYS CA C 59.787 0.300 1 485 47 47 CYS CB C 28.423 0.300 1 486 47 47 CYS N N 114.199 0.300 1 487 48 48 ASP H H 8.154 0.030 1 488 48 48 ASP HA H 4.513 0.030 1 489 48 48 ASP HB2 H 3.017 0.030 2 490 48 48 ASP HB3 H 3.184 0.030 2 491 48 48 ASP C C 175.772 0.300 1 492 48 48 ASP CA C 54.342 0.300 1 493 48 48 ASP CB C 38.630 0.300 1 494 48 48 ASP N N 119.253 0.300 1 495 49 49 GLU H H 10.332 0.030 1 496 49 49 GLU HA H 4.058 0.030 1 497 49 49 GLU HB2 H 1.890 0.030 2 498 49 49 GLU HB3 H 1.729 0.030 2 499 49 49 GLU HG2 H 2.540 0.030 2 500 49 49 GLU HG3 H 1.898 0.030 2 501 49 49 GLU C C 176.023 0.300 1 502 49 49 GLU CA C 58.054 0.300 1 503 49 49 GLU CB C 29.430 0.300 1 504 49 49 GLU CG C 34.856 0.300 1 505 49 49 GLU N N 118.164 0.300 1 506 50 50 GLN H H 8.238 0.030 1 507 50 50 GLN HA H 4.838 0.030 1 508 50 50 GLN HB2 H 1.866 0.030 2 509 50 50 GLN HB3 H 2.004 0.030 2 510 50 50 GLN HE21 H 7.161 0.030 2 511 50 50 GLN HE22 H 7.545 0.030 2 512 50 50 GLN HG2 H 2.210 0.030 2 513 50 50 GLN HG3 H 2.226 0.030 2 514 50 50 GLN C C 176.108 0.300 1 515 50 50 GLN CA C 56.259 0.300 1 516 50 50 GLN CB C 30.580 0.300 1 517 50 50 GLN CG C 35.260 0.300 1 518 50 50 GLN N N 120.095 0.300 1 519 50 50 GLN NE2 N 111.090 0.300 1 520 51 51 LEU H H 8.051 0.030 1 521 51 51 LEU HA H 5.191 0.030 1 522 51 51 LEU HB2 H 1.633 0.030 2 523 51 51 LEU HB3 H 1.499 0.030 2 524 51 51 LEU HD1 H 0.895 0.030 1 525 51 51 LEU HD2 H 0.780 0.030 1 526 51 51 LEU HG H 1.238 0.030 1 527 51 51 LEU C C 175.917 0.300 1 528 51 51 LEU CA C 54.444 0.300 1 529 51 51 LEU CB C 50.019 0.300 1 530 51 51 LEU CD1 C 24.805 0.300 2 531 51 51 LEU CD2 C 26.404 0.300 2 532 51 51 LEU CG C 28.126 0.300 1 533 51 51 LEU N N 116.610 0.300 1 534 52 52 LEU H H 7.449 0.030 1 535 52 52 LEU HA H 5.427 0.030 1 536 52 52 LEU HB2 H 1.405 0.030 2 537 52 52 LEU HB3 H 1.154 0.030 2 538 52 52 LEU HD1 H 0.369 0.030 1 539 52 52 LEU HD2 H -0.004 0.030 1 540 52 52 LEU HG H 1.239 0.030 1 541 52 52 LEU C C 175.470 0.300 1 542 52 52 LEU CA C 54.816 0.300 1 543 52 52 LEU CB C 45.099 0.300 1 544 52 52 LEU CD1 C 25.174 0.300 2 545 52 52 LEU CD2 C 24.559 0.300 2 546 52 52 LEU CG C 28.003 0.300 1 547 52 52 LEU N N 122.985 0.300 1 548 53 53 ILE H H 9.471 0.030 1 549 53 53 ILE HA H 4.638 0.030 1 550 53 53 ILE HB H 1.872 0.030 1 551 53 53 ILE HD1 H 0.852 0.030 1 552 53 53 ILE HG12 H 1.238 0.030 2 553 53 53 ILE HG13 H 1.735 0.030 2 554 53 53 ILE HG2 H 0.923 0.030 1 555 53 53 ILE C C 174.911 0.300 1 556 53 53 ILE CA C 60.644 0.300 1 557 53 53 ILE CB C 42.148 0.300 1 558 53 53 ILE CD1 C 13.982 0.300 1 559 53 53 ILE CG1 C 28.126 0.300 1 560 53 53 ILE CG2 C 18.754 0.300 1 561 53 53 ILE N N 128.661 0.300 1 562 54 54 THR H H 9.526 0.030 1 563 54 54 THR HA H 5.445 0.030 1 564 54 54 THR HB H 3.904 0.030 1 565 54 54 THR HG2 H 1.056 0.030 1 566 54 54 THR C C 173.333 0.300 1 567 54 54 THR CA C 62.438 0.300 1 568 54 54 THR CB C 70.682 0.300 1 569 54 54 THR CG2 C 20.500 0.300 1 570 54 54 THR N N 125.240 0.300 1 571 55 55 VAL H H 9.463 0.030 1 572 55 55 VAL HA H 4.808 0.030 1 573 55 55 VAL HB H 1.899 0.030 1 574 55 55 VAL HG1 H 1.030 0.030 1 575 55 55 VAL HG2 H 0.582 0.030 1 576 55 55 VAL C C 173.352 0.300 1 577 55 55 VAL CA C 59.706 0.300 1 578 55 55 VAL CB C 34.270 0.300 1 579 55 55 VAL CG1 C 21.361 0.300 2 580 55 55 VAL CG2 C 22.085 0.300 2 581 55 55 VAL N N 124.462 0.300 1 582 56 56 ALA H H 6.720 0.030 1 583 56 56 ALA HA H 4.644 0.030 1 584 56 56 ALA HB H 1.378 0.030 1 585 56 56 ALA C C 175.770 0.300 1 586 56 56 ALA CA C 49.978 0.300 1 587 56 56 ALA CB C 21.331 0.300 1 588 56 56 ALA N N 127.960 0.300 1 589 57 57 PHE H H 8.309 0.030 1 590 57 57 PHE HA H 5.280 0.030 1 591 57 57 PHE HB2 H 3.444 0.030 2 592 57 57 PHE HB3 H 2.899 0.030 2 593 57 57 PHE HD1 H 6.872 0.030 1 594 57 57 PHE HD2 H 6.872 0.030 1 595 57 57 PHE HE1 H 6.867 0.030 1 596 57 57 PHE HE2 H 6.867 0.030 1 597 57 57 PHE HZ H 7.091 0.030 1 598 57 57 PHE C C 177.525 0.300 1 599 57 57 PHE CA C 57.442 0.300 1 600 57 57 PHE CB C 42.271 0.300 1 601 57 57 PHE CD1 C 131.934 0.300 1 602 57 57 PHE CD2 C 131.934 0.300 1 603 57 57 PHE CE1 C 130.581 0.300 1 604 57 57 PHE CE2 C 130.581 0.300 1 605 57 57 PHE CZ C 129.351 0.300 1 606 57 57 PHE N N 118.553 0.300 1 607 58 58 ASN H H 9.804 0.030 1 608 58 58 ASN HA H 4.585 0.030 1 609 58 58 ASN HB2 H 3.059 0.030 2 610 58 58 ASN HB3 H 2.850 0.030 2 611 58 58 ASN HD21 H 6.825 0.030 2 612 58 58 ASN HD22 H 7.590 0.030 2 613 58 58 ASN C C 174.194 0.300 1 614 58 58 ASN CA C 54.383 0.300 1 615 58 58 ASN CB C 39.109 0.300 1 616 58 58 ASN N N 120.264 0.300 1 617 58 58 ASN ND2 N 110.934 0.300 1 618 59 59 GLN H H 7.929 0.030 1 619 59 59 GLN HA H 4.825 0.030 1 620 59 59 GLN HB2 H 2.260 0.030 2 621 59 59 GLN HB3 H 2.157 0.030 2 622 59 59 GLN HE21 H 7.773 0.030 2 623 59 59 GLN HE22 H 6.901 0.030 2 624 59 59 GLN HG2 H 2.315 0.030 2 625 59 59 GLN HG3 H 1.822 0.030 2 626 59 59 GLN C C 170.702 0.300 1 627 59 59 GLN CA C 52.938 0.300 1 628 59 59 GLN CB C 30.340 0.300 1 629 59 59 GLN CG C 32.800 0.300 1 630 59 59 GLN N N 114.665 0.300 1 631 59 59 GLN NE2 N 112.023 0.300 1 632 60 60 PRO HA H 4.576 0.030 1 633 60 60 PRO HB2 H 2.141 0.030 2 634 60 60 PRO HB3 H 1.619 0.030 2 635 60 60 PRO HD2 H 3.694 0.030 1 636 60 60 PRO HD3 H 3.694 0.030 1 637 60 60 PRO HG2 H 2.134 0.030 2 638 60 60 PRO HG3 H 1.994 0.030 2 639 60 60 PRO C C 178.260 0.300 1 640 60 60 PRO CA C 62.906 0.300 1 641 60 60 PRO CB C 31.324 0.300 1 642 60 60 PRO CD C 49.773 0.300 1 643 60 60 PRO CG C 28.139 0.300 1 644 61 61 VAL H H 8.882 0.030 1 645 61 61 VAL HA H 4.625 0.030 1 646 61 61 VAL HB H 1.461 0.030 1 647 61 61 VAL HG1 H 0.368 0.030 1 648 61 61 VAL HG2 H -0.460 0.030 1 649 61 61 VAL C C 172.619 0.300 1 650 61 61 VAL CA C 59.032 0.300 1 651 61 61 VAL CB C 35.875 0.300 1 652 61 61 VAL CG1 C 20.042 0.300 2 653 61 61 VAL CG2 C 17.303 0.300 2 654 61 61 VAL N N 116.532 0.300 1 655 62 62 LYS H H 8.586 0.030 1 656 62 62 LYS HA H 5.172 0.030 1 657 62 62 LYS HB2 H 1.650 0.030 2 658 62 62 LYS HB3 H 1.901 0.030 2 659 62 62 LYS HD2 H 1.650 0.030 1 660 62 62 LYS HD3 H 1.650 0.030 1 661 62 62 LYS HE2 H 2.969 0.030 1 662 62 62 LYS HE3 H 2.969 0.030 1 663 62 62 LYS HG2 H 1.180 0.030 2 664 62 62 LYS HG3 H 1.426 0.030 2 665 62 62 LYS C C 176.804 0.300 1 666 62 62 LYS CA C 53.853 0.300 1 667 62 62 LYS CB C 34.645 0.300 1 668 62 62 LYS CD C 30.244 0.300 1 669 62 62 LYS CE C 42.763 0.300 1 670 62 62 LYS CG C 24.878 0.300 1 671 62 62 LYS N N 117.620 0.300 1 672 63 63 LEU H H 7.988 0.030 1 673 63 63 LEU HA H 4.394 0.030 1 674 63 63 LEU HB2 H 0.725 0.030 2 675 63 63 LEU HB3 H 1.436 0.030 2 676 63 63 LEU HD1 H 0.069 0.030 1 677 63 63 LEU HD2 H 0.022 0.030 1 678 63 63 LEU HG H 1.216 0.030 1 679 63 63 LEU C C 173.816 0.300 1 680 63 63 LEU CA C 53.709 0.300 1 681 63 63 LEU CB C 43.008 0.300 1 682 63 63 LEU CD1 C 24.190 0.300 2 683 63 63 LEU CD2 C 24.559 0.300 2 684 63 63 LEU CG C 25.910 0.300 1 685 63 63 LEU N N 118.706 0.300 1 686 64 64 TYR H H 8.745 0.030 1 687 64 64 TYR HA H 4.486 0.030 1 688 64 64 TYR HB2 H 2.531 0.030 2 689 64 64 TYR HB3 H 2.162 0.030 2 690 64 64 TYR HD1 H 6.364 0.030 1 691 64 64 TYR HD2 H 6.364 0.030 1 692 64 64 TYR HE1 H 6.269 0.030 1 693 64 64 TYR HE2 H 6.269 0.030 1 694 64 64 TYR C C 176.169 0.300 1 695 64 64 TYR CA C 59.481 0.300 1 696 64 64 TYR CB C 41.533 0.300 1 697 64 64 TYR CD1 C 132.180 0.300 1 698 64 64 TYR CD2 C 132.180 0.300 1 699 64 64 TYR CE1 C 117.912 0.300 1 700 64 64 TYR CE2 C 117.912 0.300 1 701 64 64 TYR N N 118.631 0.300 1 702 65 65 SER H H 8.483 0.030 1 703 65 65 SER HA H 4.981 0.030 1 704 65 65 SER HB2 H 3.782 0.030 2 705 65 65 SER HB3 H 3.464 0.030 2 706 65 65 SER C C 171.600 0.300 1 707 65 65 SER CA C 57.276 0.300 1 708 65 65 SER CB C 66.132 0.300 1 709 65 65 SER N N 112.567 0.300 1 710 66 66 MET H H 9.178 0.030 1 711 66 66 MET HA H 5.038 0.030 1 712 66 66 MET HB2 H 1.883 0.030 2 713 66 66 MET HB3 H 1.824 0.030 2 714 66 66 MET HE H 1.387 0.030 1 715 66 66 MET HG2 H 1.961 0.030 2 716 66 66 MET HG3 H 2.174 0.030 2 717 66 66 MET C C 173.410 0.300 1 718 66 66 MET CA C 54.566 0.300 1 719 66 66 MET CB C 38.089 0.300 1 720 66 66 MET CE C 16.319 0.300 1 721 66 66 MET CG C 31.447 0.300 1 722 66 66 MET N N 120.186 0.300 1 723 67 67 LYS H H 8.409 0.030 1 724 67 67 LYS HA H 4.730 0.030 1 725 67 67 LYS HB2 H 1.411 0.030 2 726 67 67 LYS HB3 H 1.653 0.030 2 727 67 67 LYS HD2 H 1.774 0.030 2 728 67 67 LYS HD3 H 1.635 0.030 2 729 67 67 LYS HE2 H 2.789 0.030 2 730 67 67 LYS HE3 H 2.898 0.030 2 731 67 67 LYS HG2 H 1.195 0.030 2 732 67 67 LYS HG3 H 1.620 0.030 2 733 67 67 LYS C C 174.246 0.300 1 734 67 67 LYS CA C 55.463 0.300 1 735 67 67 LYS CB C 34.509 0.300 1 736 67 67 LYS CD C 30.340 0.300 1 737 67 67 LYS CE C 42.639 0.300 1 738 67 67 LYS CG C 25.877 0.300 1 739 67 67 LYS N N 122.052 0.300 1 740 68 68 PHE H H 9.595 0.030 1 741 68 68 PHE HA H 4.771 0.030 1 742 68 68 PHE HB2 H 3.251 0.030 2 743 68 68 PHE HB3 H 2.432 0.030 2 744 68 68 PHE HD1 H 7.043 0.030 1 745 68 68 PHE HD2 H 7.043 0.030 1 746 68 68 PHE HE1 H 6.473 0.030 1 747 68 68 PHE HE2 H 6.473 0.030 1 748 68 68 PHE HZ H 6.568 0.030 1 749 68 68 PHE C C 172.038 0.300 1 750 68 68 PHE CA C 59.032 0.300 1 751 68 68 PHE CB C 41.075 0.300 1 752 68 68 PHE CD1 C 131.688 0.300 1 753 68 68 PHE CD2 C 131.688 0.300 1 754 68 68 PHE CE1 C 129.720 0.300 1 755 68 68 PHE CE2 C 129.720 0.300 1 756 68 68 PHE CZ C 128.244 0.300 1 757 68 68 PHE N N 130.524 0.300 1 758 69 69 GLN H H 8.533 0.030 1 759 69 69 GLN HA H 4.784 0.030 1 760 69 69 GLN HB2 H 1.959 0.030 1 761 69 69 GLN HB3 H 1.959 0.030 1 762 69 69 GLN HE21 H 6.301 0.030 2 763 69 69 GLN HE22 H 7.204 0.030 2 764 69 69 GLN HG2 H 2.386 0.030 2 765 69 69 GLN HG3 H 2.452 0.030 2 766 69 69 GLN C C 177.150 0.300 1 767 69 69 GLN CA C 54.261 0.300 1 768 69 69 GLN CB C 31.921 0.300 1 769 69 69 GLN CG C 33.784 0.300 1 770 69 69 GLN N N 119.408 0.300 1 771 69 69 GLN NE2 N 108.135 0.300 1 772 70 70 GLY H H 8.653 0.030 1 773 70 70 GLY HA2 H 4.032 0.030 2 774 70 70 GLY HA3 H 4.390 0.030 2 775 70 70 GLY C C 169.123 0.300 1 776 70 70 GLY CA C 45.378 0.300 1 777 70 70 GLY N N 106.349 0.300 1 778 71 71 PRO HA H 4.559 0.030 1 779 71 71 PRO HB2 H 1.869 0.030 2 780 71 71 PRO HB3 H 2.122 0.030 2 781 71 71 PRO HD2 H 3.369 0.030 2 782 71 71 PRO HD3 H 2.906 0.030 2 783 71 71 PRO HG2 H 1.507 0.030 2 784 71 71 PRO HG3 H 1.688 0.030 2 785 71 71 PRO C C 175.840 0.300 1 786 71 71 PRO CA C 62.336 0.300 1 787 71 71 PRO CB C 33.292 0.300 1 788 71 71 PRO CD C 48.717 0.300 1 789 71 71 PRO CG C 27.265 0.300 1 790 72 72 ASP H H 8.063 0.030 1 791 72 72 ASP HA H 4.519 0.030 1 792 72 72 ASP HB2 H 3.070 0.030 2 793 72 72 ASP HB3 H 2.667 0.030 2 794 72 72 ASP C C 176.396 0.300 1 795 72 72 ASP CA C 53.730 0.300 1 796 72 72 ASP CB C 40.180 0.300 1 797 72 72 ASP N N 117.464 0.300 1 798 73 73 ASN H H 7.367 0.030 1 799 73 73 ASN HA H 4.588 0.030 1 800 73 73 ASN HB2 H 2.758 0.030 2 801 73 73 ASN HB3 H 3.181 0.030 2 802 73 73 ASN HD21 H 7.280 0.030 2 803 73 73 ASN HD22 H 7.708 0.030 2 804 73 73 ASN C C 175.385 0.300 1 805 73 73 ASN CA C 53.057 0.300 1 806 73 73 ASN CB C 38.630 0.300 1 807 73 73 ASN N N 117.690 0.300 1 808 73 73 ASN ND2 N 111.789 0.300 1 809 74 74 GLY H H 8.829 0.030 1 810 74 74 GLY HA2 H 4.568 0.030 2 811 74 74 GLY HA3 H 3.432 0.030 2 812 74 74 GLY C C 174.972 0.300 1 813 74 74 GLY CA C 44.608 0.300 1 814 74 74 GLY N N 110.155 0.300 1 815 75 75 GLN H H 7.778 0.030 1 816 75 75 GLN HA H 4.207 0.030 1 817 75 75 GLN HB2 H 2.209 0.030 2 818 75 75 GLN HB3 H 1.991 0.030 2 819 75 75 GLN HE21 H 5.676 0.030 2 820 75 75 GLN HE22 H 6.891 0.030 2 821 75 75 GLN HG2 H 1.839 0.030 2 822 75 75 GLN HG3 H 2.262 0.030 2 823 75 75 GLN C C 175.633 0.300 1 824 75 75 GLN CA C 56.789 0.300 1 825 75 75 GLN CB C 31.201 0.300 1 826 75 75 GLN CG C 36.420 0.300 1 827 75 75 GLN N N 114.510 0.300 1 828 75 75 GLN NE2 N 111.323 0.300 1 829 76 76 GLY H H 8.074 0.030 1 830 76 76 GLY HA2 H 3.592 0.030 2 831 76 76 GLY HA3 H 4.621 0.030 2 832 76 76 GLY C C 170.480 0.300 1 833 76 76 GLY CA C 44.193 0.300 1 834 76 76 GLY N N 106.116 0.300 1 835 77 77 PRO HA H 4.102 0.030 1 836 77 77 PRO HB2 H 1.806 0.030 1 837 77 77 PRO HB3 H 1.806 0.030 1 838 77 77 PRO HD2 H 3.808 0.030 2 839 77 77 PRO HD3 H 3.285 0.030 2 840 77 77 PRO HG2 H 2.115 0.030 2 841 77 77 PRO HG3 H 1.573 0.030 2 842 77 77 PRO C C 173.949 0.300 1 843 77 77 PRO CA C 63.354 0.300 1 844 77 77 PRO CB C 32.923 0.300 1 845 77 77 PRO CD C 48.174 0.300 1 846 77 77 PRO CG C 27.347 0.300 1 847 78 78 LYS H H 8.239 0.030 1 848 78 78 LYS HA H 4.529 0.030 1 849 78 78 LYS HB2 H 1.646 0.030 2 850 78 78 LYS HB3 H 0.723 0.030 2 851 78 78 LYS HD2 H 1.530 0.030 2 852 78 78 LYS HD3 H 1.607 0.030 2 853 78 78 LYS HE2 H 2.897 0.030 1 854 78 78 LYS HE3 H 2.897 0.030 1 855 78 78 LYS HG2 H 1.469 0.030 2 856 78 78 LYS HG3 H 1.053 0.030 2 857 78 78 LYS C C 172.683 0.300 1 858 78 78 LYS CA C 57.809 0.300 1 859 78 78 LYS CB C 34.768 0.300 1 860 78 78 LYS CD C 30.463 0.300 1 861 78 78 LYS CE C 42.148 0.300 1 862 78 78 LYS CG C 25.600 0.300 1 863 78 78 LYS N N 119.797 0.300 1 864 79 79 TYR H H 7.639 0.030 1 865 79 79 TYR HA H 5.208 0.030 1 866 79 79 TYR HB2 H 3.109 0.030 2 867 79 79 TYR HB3 H 2.729 0.030 2 868 79 79 TYR HD1 H 6.931 0.030 1 869 79 79 TYR HD2 H 6.931 0.030 1 870 79 79 TYR HE1 H 6.631 0.030 1 871 79 79 TYR HE2 H 6.631 0.030 1 872 79 79 TYR C C 174.690 0.300 1 873 79 79 TYR CA C 58.013 0.300 1 874 79 79 TYR CB C 39.442 0.300 1 875 79 79 TYR CD1 C 132.918 0.300 1 876 79 79 TYR CD2 C 132.918 0.300 1 877 79 79 TYR CE1 C 117.421 0.300 1 878 79 79 TYR CE2 C 117.421 0.300 1 879 79 79 TYR N N 121.896 0.300 1 880 80 80 VAL H H 8.533 0.030 1 881 80 80 VAL HA H 5.254 0.030 1 882 80 80 VAL HB H 1.612 0.030 1 883 80 80 VAL HG1 H 0.546 0.030 1 884 80 80 VAL HG2 H 0.632 0.030 1 885 80 80 VAL C C 174.120 0.300 1 886 80 80 VAL CA C 58.629 0.300 1 887 80 80 VAL CB C 35.752 0.300 1 888 80 80 VAL CG1 C 21.976 0.300 2 889 80 80 VAL CG2 C 20.410 0.300 2 890 80 80 VAL N N 123.063 0.300 1 891 81 81 LYS H H 9.012 0.030 1 892 81 81 LYS HA H 4.548 0.030 1 893 81 81 LYS HB2 H 1.985 0.030 2 894 81 81 LYS HB3 H 1.444 0.030 2 895 81 81 LYS HD2 H 1.925 0.030 2 896 81 81 LYS HD3 H 2.338 0.030 2 897 81 81 LYS HE2 H 3.170 0.030 1 898 81 81 LYS HE3 H 3.170 0.030 1 899 81 81 LYS HG2 H 1.253 0.030 2 900 81 81 LYS HG3 H 1.716 0.030 2 901 81 81 LYS C C 174.019 0.300 1 902 81 81 LYS CA C 55.341 0.300 1 903 81 81 LYS CB C 36.367 0.300 1 904 81 81 LYS CD C 30.038 0.300 1 905 81 81 LYS CE C 42.394 0.300 1 906 81 81 LYS CG C 25.789 0.300 1 907 81 81 LYS N N 120.963 0.300 1 908 82 82 ILE H H 8.650 0.030 1 909 82 82 ILE HA H 4.758 0.030 1 910 82 82 ILE HB H 1.866 0.030 1 911 82 82 ILE HD1 H 0.595 0.030 1 912 82 82 ILE HG12 H 1.360 0.030 2 913 82 82 ILE HG13 H 0.750 0.030 2 914 82 82 ILE HG2 H 0.909 0.030 1 915 82 82 ILE C C 174.109 0.300 1 916 82 82 ILE CA C 60.868 0.300 1 917 82 82 ILE CB C 39.828 0.300 1 918 82 82 ILE CD1 C 13.859 0.300 1 919 82 82 ILE CG1 C 27.664 0.300 1 920 82 82 ILE CG2 C 18.656 0.300 1 921 82 82 ILE N N 121.119 0.300 1 922 83 83 PHE H H 9.777 0.030 1 923 83 83 PHE HA H 5.185 0.030 1 924 83 83 PHE HB2 H 3.208 0.030 2 925 83 83 PHE HB3 H 2.845 0.030 2 926 83 83 PHE HD1 H 7.340 0.030 1 927 83 83 PHE HD2 H 7.340 0.030 1 928 83 83 PHE HE1 H 6.946 0.030 1 929 83 83 PHE HE2 H 6.946 0.030 1 930 83 83 PHE HZ H 7.436 0.030 1 931 83 83 PHE C C 175.471 0.300 1 932 83 83 PHE CA C 55.800 0.300 1 933 83 83 PHE CB C 42.176 0.300 1 934 83 83 PHE CD1 C 133.287 0.300 1 935 83 83 PHE CD2 C 133.287 0.300 1 936 83 83 PHE CE1 C 131.196 0.300 1 937 83 83 PHE CE2 C 131.196 0.300 1 938 83 83 PHE CZ C 129.474 0.300 1 939 83 83 PHE N N 127.261 0.300 1 940 84 84 ILE H H 8.207 0.030 1 941 84 84 ILE HA H 5.436 0.030 1 942 84 84 ILE HB H 2.034 0.030 1 943 84 84 ILE HD1 H 0.898 0.030 1 944 84 84 ILE HG12 H 1.474 0.030 2 945 84 84 ILE HG13 H 1.281 0.030 2 946 84 84 ILE HG2 H 1.143 0.030 1 947 84 84 ILE C C 174.820 0.300 1 948 84 84 ILE CA C 59.542 0.300 1 949 84 84 ILE CB C 42.560 0.300 1 950 84 84 ILE CD1 C 14.705 0.300 1 951 84 84 ILE CG1 C 24.436 0.300 1 952 84 84 ILE CG2 C 19.398 0.300 1 953 84 84 ILE N N 112.256 0.300 1 954 85 85 ASN H H 8.819 0.030 1 955 85 85 ASN HA H 4.465 0.030 1 956 85 85 ASN HB2 H 2.964 0.030 2 957 85 85 ASN HB3 H 3.099 0.030 2 958 85 85 ASN HD21 H 7.856 0.030 2 959 85 85 ASN HD22 H 7.456 0.030 2 960 85 85 ASN C C 175.605 0.300 1 961 85 85 ASN CA C 52.996 0.300 1 962 85 85 ASN CB C 36.859 0.300 1 963 85 85 ASN N N 116.842 0.300 1 964 85 85 ASN ND2 N 112.256 0.300 1 965 86 86 LEU H H 8.086 0.030 1 966 86 86 LEU HA H 4.391 0.030 1 967 86 86 LEU HB2 H 1.721 0.030 2 968 86 86 LEU HB3 H 1.380 0.030 2 969 86 86 LEU HD1 H 0.875 0.030 1 970 86 86 LEU HD2 H 0.746 0.030 1 971 86 86 LEU HG H 1.505 0.030 1 972 86 86 LEU C C 178.100 0.300 1 973 86 86 LEU CA C 53.755 0.300 1 974 86 86 LEU CB C 40.795 0.300 1 975 86 86 LEU CD1 C 22.345 0.300 2 976 86 86 LEU CD2 C 26.158 0.300 2 977 86 86 LEU CG C 26.736 0.300 1 978 86 86 LEU N N 118.864 0.300 1 979 87 87 PRO HA H 4.454 0.030 1 980 87 87 PRO HB2 H 2.213 0.030 2 981 87 87 PRO HB3 H 2.006 0.030 2 982 87 87 PRO HD2 H 3.894 0.030 2 983 87 87 PRO HD3 H 3.807 0.030 2 984 87 87 PRO HG2 H 1.899 0.030 2 985 87 87 PRO HG3 H 2.131 0.030 2 986 87 87 PRO C C 175.474 0.300 1 987 87 87 PRO CA C 63.720 0.300 1 988 87 87 PRO CB C 31.848 0.300 1 989 87 87 PRO CD C 50.511 0.300 1 990 87 87 PRO CG C 27.019 0.300 1 991 88 88 ARG H H 7.122 0.030 1 992 88 88 ARG HA H 4.478 0.030 1 993 88 88 ARG HB2 H 1.870 0.030 2 994 88 88 ARG HB3 H 1.658 0.030 2 995 88 88 ARG HD2 H 3.095 0.030 1 996 88 88 ARG HD3 H 3.095 0.030 1 997 88 88 ARG HE H 7.215 0.030 1 998 88 88 ARG HG2 H 1.396 0.030 2 999 88 88 ARG HG3 H 1.338 0.030 2 1000 88 88 ARG C C 174.785 0.300 1 1001 88 88 ARG CA C 53.955 0.300 1 1002 88 88 ARG CB C 32.066 0.300 1 1003 88 88 ARG CD C 43.137 0.300 1 1004 88 88 ARG CG C 25.747 0.300 1 1005 88 88 ARG N N 115.055 0.300 1 1006 88 88 ARG NE N 84.424 0.300 1 1007 89 89 SER H H 8.330 0.030 1 1008 89 89 SER HA H 4.183 0.030 1 1009 89 89 SER HB2 H 3.754 0.030 2 1010 89 89 SER HB3 H 3.644 0.030 2 1011 89 89 SER C C 173.874 0.300 1 1012 89 89 SER CA C 59.114 0.300 1 1013 89 89 SER CB C 63.057 0.300 1 1014 89 89 SER N N 116.220 0.300 1 1015 90 90 MET H H 8.155 0.030 1 1016 90 90 MET HA H 4.320 0.030 1 1017 90 90 MET HB2 H 1.626 0.030 2 1018 90 90 MET HB3 H 1.567 0.030 2 1019 90 90 MET HE H 2.032 0.030 1 1020 90 90 MET HG2 H 2.013 0.030 2 1021 90 90 MET HG3 H 2.125 0.030 2 1022 90 90 MET C C 174.700 0.300 1 1023 90 90 MET CA C 55.137 0.300 1 1024 90 90 MET CB C 36.244 0.300 1 1025 90 90 MET CE C 16.934 0.300 1 1026 90 90 MET CG C 32.187 0.300 1 1027 90 90 MET N N 124.384 0.300 1 1028 91 91 ASP H H 7.501 0.030 1 1029 91 91 ASP HA H 4.414 0.030 1 1030 91 91 ASP HB2 H 3.053 0.030 2 1031 91 91 ASP HB3 H 2.535 0.030 2 1032 91 91 ASP C C 176.177 0.300 1 1033 91 91 ASP CA C 51.495 0.300 1 1034 91 91 ASP CB C 41.889 0.300 1 1035 91 91 ASP N N 120.264 0.300 1 1036 92 92 PHE H H 7.832 0.030 1 1037 92 92 PHE HA H 3.637 0.030 1 1038 92 92 PHE HB2 H 3.212 0.030 2 1039 92 92 PHE HB3 H 2.886 0.030 2 1040 92 92 PHE HD1 H 7.377 0.030 1 1041 92 92 PHE HD2 H 7.377 0.030 1 1042 92 92 PHE HE1 H 7.548 0.030 1 1043 92 92 PHE HE2 H 7.548 0.030 1 1044 92 92 PHE HZ H 7.268 0.030 1 1045 92 92 PHE C C 177.871 0.300 1 1046 92 92 PHE CA C 62.934 0.300 1 1047 92 92 PHE CB C 38.335 0.300 1 1048 92 92 PHE CD1 C 131.688 0.300 1 1049 92 92 PHE CD2 C 131.688 0.300 1 1050 92 92 PHE CE1 C 130.242 0.300 1 1051 92 92 PHE CE2 C 130.242 0.300 1 1052 92 92 PHE CZ C 131.319 0.300 1 1053 92 92 PHE N N 116.072 0.300 1 1054 93 93 GLU H H 8.148 0.030 1 1055 93 93 GLU HA H 4.011 0.030 1 1056 93 93 GLU HB2 H 2.060 0.030 2 1057 93 93 GLU HB3 H 1.998 0.030 2 1058 93 93 GLU HG2 H 2.199 0.030 2 1059 93 93 GLU HG3 H 2.336 0.030 2 1060 93 93 GLU C C 179.297 0.300 1 1061 93 93 GLU CA C 59.736 0.300 1 1062 93 93 GLU CB C 29.110 0.300 1 1063 93 93 GLU CG C 36.604 0.300 1 1064 93 93 GLU N N 120.264 0.300 1 1065 94 94 GLU H H 8.251 0.030 1 1066 94 94 GLU HA H 3.806 0.030 1 1067 94 94 GLU HB2 H 2.002 0.030 2 1068 94 94 GLU HB3 H 1.724 0.030 2 1069 94 94 GLU HG2 H 1.991 0.030 2 1070 94 94 GLU HG3 H 2.197 0.030 2 1071 94 94 GLU C C 179.540 0.300 1 1072 94 94 GLU CA C 58.870 0.300 1 1073 94 94 GLU CB C 29.971 0.300 1 1074 94 94 GLU CG C 36.236 0.300 1 1075 94 94 GLU N N 120.497 0.300 1 1076 95 95 ALA H H 8.121 0.030 1 1077 95 95 ALA HA H 3.681 0.030 1 1078 95 95 ALA HB H 0.488 0.030 1 1079 95 95 ALA C C 179.182 0.300 1 1080 95 95 ALA CA C 55.016 0.300 1 1081 95 95 ALA CB C 17.426 0.300 1 1082 95 95 ALA N N 124.277 0.300 1 1083 96 96 GLU H H 7.671 0.030 1 1084 96 96 GLU HA H 4.072 0.030 1 1085 96 96 GLU HB2 H 2.267 0.030 2 1086 96 96 GLU HB3 H 2.176 0.030 2 1087 96 96 GLU HG2 H 2.512 0.030 2 1088 96 96 GLU HG3 H 2.432 0.030 2 1089 96 96 GLU C C 177.704 0.300 1 1090 96 96 GLU CA C 59.644 0.300 1 1091 96 96 GLU CB C 29.670 0.300 1 1092 96 96 GLU CG C 36.328 0.300 1 1093 96 96 GLU N N 117.154 0.300 1 1094 97 97 ARG H H 7.369 0.030 1 1095 97 97 ARG HA H 4.399 0.030 1 1096 97 97 ARG HB2 H 1.830 0.030 2 1097 97 97 ARG HB3 H 1.899 0.030 2 1098 97 97 ARG HD2 H 3.153 0.030 1 1099 97 97 ARG HD3 H 3.153 0.030 1 1100 97 97 ARG HE H 8.375 0.030 1 1101 97 97 ARG HG2 H 1.635 0.030 2 1102 97 97 ARG HG3 H 1.795 0.030 2 1103 97 97 ARG C C 177.701 0.300 1 1104 97 97 ARG CA C 56.973 0.300 1 1105 97 97 ARG CB C 31.346 0.300 1 1106 97 97 ARG CD C 43.377 0.300 1 1107 97 97 ARG CG C 27.148 0.300 1 1108 97 97 ARG N N 114.601 0.300 1 1109 97 97 ARG NE N 81.625 0.300 1 1110 98 98 SER H H 7.616 0.030 1 1111 98 98 SER HA H 4.518 0.030 1 1112 98 98 SER HB2 H 3.864 0.030 2 1113 98 98 SER HB3 H 3.745 0.030 2 1114 98 98 SER C C 173.383 0.300 1 1115 98 98 SER CA C 59.982 0.300 1 1116 98 98 SER CB C 64.656 0.300 1 1117 98 98 SER N N 115.565 0.300 1 1118 99 99 GLU H H 8.931 0.030 1 1119 99 99 GLU HA H 4.650 0.030 1 1120 99 99 GLU HB2 H 2.044 0.030 1 1121 99 99 GLU HB3 H 2.044 0.030 1 1122 99 99 GLU HG2 H 2.342 0.030 1 1123 99 99 GLU HG3 H 2.342 0.030 1 1124 99 99 GLU C C 174.803 0.300 1 1125 99 99 GLU CA C 53.796 0.300 1 1126 99 99 GLU CB C 30.217 0.300 1 1127 99 99 GLU CG C 35.383 0.300 1 1128 99 99 GLU N N 126.872 0.300 1 1129 100 100 PRO HA H 4.378 0.030 1 1130 100 100 PRO HB2 H 1.702 0.030 2 1131 100 100 PRO HB3 H 0.746 0.030 2 1132 100 100 PRO HD2 H 3.736 0.030 2 1133 100 100 PRO HD3 H 3.970 0.030 2 1134 100 100 PRO HG2 H 1.744 0.030 2 1135 100 100 PRO HG3 H 1.598 0.030 2 1136 100 100 PRO C C 175.880 0.300 1 1137 100 100 PRO CA C 61.969 0.300 1 1138 100 100 PRO CB C 31.201 0.300 1 1139 100 100 PRO CD C 49.527 0.300 1 1140 100 100 PRO CG C 26.281 0.300 1 1141 101 101 THR H H 8.631 0.030 1 1142 101 101 THR HA H 3.898 0.030 1 1143 101 101 THR HB H 3.703 0.030 1 1144 101 101 THR HG2 H 0.636 0.030 1 1145 101 101 THR C C 175.147 0.300 1 1146 101 101 THR CA C 67.536 0.300 1 1147 101 101 THR CB C 68.532 0.300 1 1148 101 101 THR CG2 C 23.998 0.300 1 1149 101 101 THR N N 119.875 0.300 1 1150 102 102 GLN H H 7.611 0.030 1 1151 102 102 GLN HA H 4.250 0.030 1 1152 102 102 GLN HB2 H 1.614 0.030 1 1153 102 102 GLN HB3 H 1.614 0.030 1 1154 102 102 GLN HE21 H 6.693 0.030 2 1155 102 102 GLN HE22 H 7.418 0.030 2 1156 102 102 GLN HG2 H 2.542 0.030 2 1157 102 102 GLN HG3 H 2.171 0.030 2 1158 102 102 GLN C C 172.145 0.300 1 1159 102 102 GLN CA C 56.728 0.300 1 1160 102 102 GLN CB C 31.778 0.300 1 1161 102 102 GLN CG C 33.538 0.300 1 1162 102 102 GLN N N 115.598 0.300 1 1163 102 102 GLN NE2 N 107.202 0.300 1 1164 103 103 ALA H H 8.832 0.030 1 1165 103 103 ALA HA H 5.089 0.030 1 1166 103 103 ALA HB H 1.334 0.030 1 1167 103 103 ALA C C 175.838 0.300 1 1168 103 103 ALA CA C 50.570 0.300 1 1169 103 103 ALA CB C 21.571 0.300 1 1170 103 103 ALA N N 129.439 0.300 1 1171 104 104 LEU H H 8.956 0.030 1 1172 104 104 LEU HA H 4.606 0.030 1 1173 104 104 LEU HB2 H 1.372 0.030 1 1174 104 104 LEU HB3 H 1.372 0.030 1 1175 104 104 LEU HD1 H 0.703 0.030 1 1176 104 104 LEU HD2 H 0.580 0.030 1 1177 104 104 LEU HG H 1.317 0.030 1 1178 104 104 LEU C C 173.290 0.300 1 1179 104 104 LEU CA C 54.301 0.300 1 1180 104 104 LEU CB C 45.579 0.300 1 1181 104 104 LEU CD1 C 25.174 0.300 2 1182 104 104 LEU CD2 C 26.527 0.300 2 1183 104 104 LEU CG C 27.265 0.300 1 1184 104 104 LEU N N 122.052 0.300 1 1185 105 105 GLU H H 8.482 0.030 1 1186 105 105 GLU HA H 4.579 0.030 1 1187 105 105 GLU HB2 H 2.068 0.030 2 1188 105 105 GLU HB3 H 1.901 0.030 2 1189 105 105 GLU HG2 H 1.990 0.030 1 1190 105 105 GLU HG3 H 1.990 0.030 1 1191 105 105 GLU C C 175.256 0.300 1 1192 105 105 GLU CA C 54.913 0.300 1 1193 105 105 GLU CB C 30.586 0.300 1 1194 105 105 GLU CG C 37.432 0.300 1 1195 105 105 GLU N N 122.363 0.300 1 1196 106 106 LEU H H 8.842 0.030 1 1197 106 106 LEU HA H 4.625 0.030 1 1198 106 106 LEU HB2 H 1.414 0.030 2 1199 106 106 LEU HB3 H 1.963 0.030 2 1200 106 106 LEU HD1 H 0.822 0.030 1 1201 106 106 LEU HD2 H 0.811 0.030 1 1202 106 106 LEU HG H 1.731 0.030 1 1203 106 106 LEU C C 178.432 0.300 1 1204 106 106 LEU CA C 54.852 0.300 1 1205 106 106 LEU CB C 41.287 0.300 1 1206 106 106 LEU CD1 C 26.773 0.300 2 1207 106 106 LEU CD2 C 24.436 0.300 2 1208 106 106 LEU CG C 26.896 0.300 1 1209 106 106 LEU N N 128.039 0.300 1 1210 107 107 THR H H 9.721 0.030 1 1211 107 107 THR HA H 4.682 0.030 1 1212 107 107 THR HB H 4.773 0.030 1 1213 107 107 THR HG2 H 1.399 0.030 1 1214 107 107 THR C C 175.504 0.300 1 1215 107 107 THR CA C 60.134 0.300 1 1216 107 107 THR CB C 71.934 0.300 1 1217 107 107 THR CG2 C 21.514 0.300 1 1218 107 107 THR N N 116.448 0.300 1 1219 108 108 GLU H H 8.862 0.030 1 1220 108 108 GLU HA H 3.846 0.030 1 1221 108 108 GLU HB2 H 1.976 0.030 1 1222 108 108 GLU HB3 H 1.976 0.030 1 1223 108 108 GLU HG2 H 2.281 0.030 2 1224 108 108 GLU HG3 H 2.225 0.030 2 1225 108 108 GLU C C 178.448 0.300 1 1226 108 108 GLU CA C 59.400 0.300 1 1227 108 108 GLU CB C 29.238 0.300 1 1228 108 108 GLU CG C 36.328 0.300 1 1229 108 108 GLU N N 116.376 0.300 1 1230 109 109 ASP H H 7.682 0.030 1 1231 109 109 ASP HA H 4.442 0.030 1 1232 109 109 ASP HB2 H 2.622 0.030 2 1233 109 109 ASP HB3 H 2.430 0.030 2 1234 109 109 ASP C C 178.284 0.300 1 1235 109 109 ASP CA C 56.687 0.300 1 1236 109 109 ASP CB C 41.170 0.300 1 1237 109 109 ASP N N 115.988 0.300 1 1238 110 110 ASP H H 7.646 0.030 1 1239 110 110 ASP HA H 4.342 0.030 1 1240 110 110 ASP HB2 H 2.547 0.030 2 1241 110 110 ASP HB3 H 2.987 0.030 2 1242 110 110 ASP C C 176.105 0.300 1 1243 110 110 ASP CA C 57.544 0.300 1 1244 110 110 ASP CB C 42.763 0.300 1 1245 110 110 ASP N N 121.041 0.300 1 1246 111 111 ILE H H 6.626 0.030 1 1247 111 111 ILE HA H 4.974 0.030 1 1248 111 111 ILE HB H 2.204 0.030 1 1249 111 111 ILE HD1 H 0.858 0.030 1 1250 111 111 ILE HG12 H 1.331 0.030 2 1251 111 111 ILE HG13 H 1.280 0.030 2 1252 111 111 ILE HG2 H 1.214 0.030 1 1253 111 111 ILE C C 175.685 0.300 1 1254 111 111 ILE CA C 61.052 0.300 1 1255 111 111 ILE CB C 39.319 0.300 1 1256 111 111 ILE CD1 C 16.177 0.300 1 1257 111 111 ILE CG1 C 26.116 0.300 1 1258 111 111 ILE CG2 C 17.795 0.300 1 1259 111 111 ILE N N 105.083 0.300 1 1260 112 112 LYS H H 6.656 0.030 1 1261 112 112 LYS HA H 4.527 0.030 1 1262 112 112 LYS HB2 H 2.102 0.030 2 1263 112 112 LYS HB3 H 1.812 0.030 2 1264 112 112 LYS HD2 H 1.800 0.030 1 1265 112 112 LYS HD3 H 1.800 0.030 1 1266 112 112 LYS HE2 H 3.044 0.030 2 1267 112 112 LYS HE3 H 3.008 0.030 2 1268 112 112 LYS HG2 H 1.550 0.030 2 1269 112 112 LYS HG3 H 2.019 0.030 2 1270 112 112 LYS C C 177.593 0.300 1 1271 112 112 LYS CA C 56.292 0.300 1 1272 112 112 LYS CB C 34.749 0.300 1 1273 112 112 LYS CD C 29.971 0.300 1 1274 112 112 LYS CE C 42.394 0.300 1 1275 112 112 LYS CG C 25.420 0.300 1 1276 112 112 LYS N N 118.864 0.300 1 1277 113 113 GLU H H 8.602 0.030 1 1278 113 113 GLU HA H 3.924 0.030 1 1279 113 113 GLU HB2 H 1.906 0.030 2 1280 113 113 GLU HB3 H 1.968 0.030 2 1281 113 113 GLU HG2 H 2.223 0.030 1 1282 113 113 GLU HG3 H 2.223 0.030 1 1283 113 113 GLU C C 177.093 0.300 1 1284 113 113 GLU CA C 59.121 0.300 1 1285 113 113 GLU CB C 29.526 0.300 1 1286 113 113 GLU CG C 36.244 0.300 1 1287 113 113 GLU N N 118.553 0.300 1 1288 114 114 ASP H H 8.140 0.030 1 1289 114 114 ASP HA H 4.641 0.030 1 1290 114 114 ASP HB2 H 2.784 0.030 2 1291 114 114 ASP HB3 H 2.671 0.030 2 1292 114 114 ASP C C 176.554 0.300 1 1293 114 114 ASP CA C 53.465 0.300 1 1294 114 114 ASP CB C 40.020 0.300 1 1295 114 114 ASP N N 115.958 0.300 1 1296 115 115 GLY H H 8.264 0.030 1 1297 115 115 GLY HA2 H 4.076 0.030 2 1298 115 115 GLY HA3 H 3.975 0.030 2 1299 115 115 GLY C C 174.924 0.300 1 1300 115 115 GLY CA C 46.246 0.300 1 1301 115 115 GLY N N 110.856 0.300 1 1302 116 116 ILE H H 8.481 0.030 1 1303 116 116 ILE HA H 4.487 0.030 1 1304 116 116 ILE HB H 1.720 0.030 1 1305 116 116 ILE HD1 H 0.816 0.030 1 1306 116 116 ILE HG12 H 1.402 0.030 2 1307 116 116 ILE HG13 H 0.883 0.030 2 1308 116 116 ILE HG2 H 0.841 0.030 1 1309 116 116 ILE C C 173.570 0.300 1 1310 116 116 ILE CA C 60.966 0.300 1 1311 116 116 ILE CB C 41.075 0.300 1 1312 116 116 ILE CD1 C 13.969 0.300 1 1313 116 116 ILE CG1 C 28.495 0.300 1 1314 116 116 ILE CG2 C 16.545 0.300 1 1315 116 116 ILE N N 125.161 0.300 1 1316 117 117 VAL H H 9.016 0.030 1 1317 117 117 VAL HA H 4.676 0.030 1 1318 117 117 VAL HB H 2.001 0.030 1 1319 117 117 VAL HG1 H 0.802 0.030 1 1320 117 117 VAL HG2 H 0.858 0.030 1 1321 117 117 VAL C C 173.528 0.300 1 1322 117 117 VAL CA C 58.659 0.300 1 1323 117 117 VAL CB C 33.661 0.300 1 1324 117 117 VAL CG1 C 21.484 0.300 2 1325 117 117 VAL CG2 C 20.234 0.300 2 1326 117 117 VAL N N 127.494 0.300 1 1327 118 118 PRO HA H 4.443 0.030 1 1328 118 118 PRO HB2 H 2.333 0.030 2 1329 118 118 PRO HB3 H 1.894 0.030 2 1330 118 118 PRO HD2 H 3.820 0.030 2 1331 118 118 PRO HD3 H 3.935 0.030 2 1332 118 118 PRO HG2 H 2.148 0.030 2 1333 118 118 PRO HG3 H 1.986 0.030 2 1334 118 118 PRO C C 176.369 0.300 1 1335 118 118 PRO CA C 62.743 0.300 1 1336 118 118 PRO CB C 32.554 0.300 1 1337 118 118 PRO CD C 51.233 0.300 1 1338 118 118 PRO CG C 27.219 0.300 1 1339 119 119 LEU H H 7.866 0.030 1 1340 119 119 LEU HA H 4.685 0.030 1 1341 119 119 LEU HB2 H 1.075 0.030 2 1342 119 119 LEU HB3 H 1.037 0.030 2 1343 119 119 LEU HD1 H 0.076 0.030 1 1344 119 119 LEU HD2 H 0.453 0.030 1 1345 119 119 LEU HG H 1.247 0.030 1 1346 119 119 LEU C C 178.091 0.300 1 1347 119 119 LEU CA C 52.548 0.300 1 1348 119 119 LEU CB C 43.870 0.300 1 1349 119 119 LEU CD1 C 25.378 0.300 2 1350 119 119 LEU CD2 C 21.484 0.300 2 1351 119 119 LEU CG C 27.252 0.300 1 1352 119 119 LEU N N 120.574 0.300 1 1353 120 120 ARG H H 9.195 0.030 1 1354 120 120 ARG HA H 4.489 0.030 1 1355 120 120 ARG HB2 H 1.606 0.030 1 1356 120 120 ARG HB3 H 1.606 0.030 1 1357 120 120 ARG HD2 H 3.159 0.030 1 1358 120 120 ARG HD3 H 3.159 0.030 1 1359 120 120 ARG HE H 8.194 0.030 1 1360 120 120 ARG HG2 H 1.645 0.030 2 1361 120 120 ARG HG3 H 1.813 0.030 2 1362 120 120 ARG C C 176.010 0.300 1 1363 120 120 ARG CA C 55.096 0.300 1 1364 120 120 ARG CB C 27.142 0.300 1 1365 120 120 ARG CD C 43.501 0.300 1 1366 120 120 ARG CG C 27.265 0.300 1 1367 120 120 ARG N N 121.974 0.300 1 1368 120 120 ARG NE N 81.858 0.300 1 1369 121 121 TYR H H 7.702 0.030 1 1370 121 121 TYR HA H 4.428 0.030 1 1371 121 121 TYR HB2 H 2.850 0.030 2 1372 121 121 TYR HB3 H 2.908 0.030 2 1373 121 121 TYR HD1 H 7.192 0.030 1 1374 121 121 TYR HD2 H 7.192 0.030 1 1375 121 121 TYR HE1 H 6.892 0.030 1 1376 121 121 TYR HE2 H 6.892 0.030 1 1377 121 121 TYR C C 178.092 0.300 1 1378 121 121 TYR CA C 60.474 0.300 1 1379 121 121 TYR CB C 39.685 0.300 1 1380 121 121 TYR CD1 C 133.779 0.300 1 1381 121 121 TYR CD2 C 133.779 0.300 1 1382 121 121 TYR CE1 C 118.527 0.300 1 1383 121 121 TYR CE2 C 118.527 0.300 1 1384 121 121 TYR N N 125.628 0.300 1 1385 122 122 VAL H H 7.948 0.030 1 1386 122 122 VAL HA H 3.830 0.030 1 1387 122 122 VAL HB H 2.033 0.030 1 1388 122 122 VAL HG1 H 0.836 0.030 1 1389 122 122 VAL HG2 H 0.799 0.030 1 1390 122 122 VAL C C 176.972 0.300 1 1391 122 122 VAL CA C 64.783 0.300 1 1392 122 122 VAL CB C 31.155 0.300 1 1393 122 122 VAL CG1 C 20.255 0.300 2 1394 122 122 VAL CG2 C 20.869 0.300 2 1395 122 122 VAL N N 120.652 0.300 1 1396 123 123 LYS H H 8.264 0.030 1 1397 123 123 LYS HA H 4.117 0.030 1 1398 123 123 LYS HB2 H 1.332 0.030 1 1399 123 123 LYS HB3 H 1.332 0.030 1 1400 123 123 LYS HD2 H 1.544 0.030 1 1401 123 123 LYS HD3 H 1.544 0.030 1 1402 123 123 LYS HE2 H 2.992 0.030 2 1403 123 123 LYS HE3 H 2.897 0.030 2 1404 123 123 LYS HG2 H 1.338 0.030 2 1405 123 123 LYS HG3 H 1.197 0.030 2 1406 123 123 LYS C C 176.302 0.300 1 1407 123 123 LYS CA C 56.117 0.300 1 1408 123 123 LYS CB C 32.161 0.300 1 1409 123 123 LYS CD C 28.618 0.300 1 1410 123 123 LYS CE C 42.025 0.300 1 1411 123 123 LYS CG C 25.394 0.300 1 1412 123 123 LYS N N 117.620 0.300 1 1413 124 124 PHE H H 7.670 0.030 1 1414 124 124 PHE HA H 4.594 0.030 1 1415 124 124 PHE HB2 H 3.146 0.030 2 1416 124 124 PHE HB3 H 2.975 0.030 2 1417 124 124 PHE HD1 H 7.000 0.030 1 1418 124 124 PHE HD2 H 7.000 0.030 1 1419 124 124 PHE HE1 H 7.240 0.030 1 1420 124 124 PHE HE2 H 7.240 0.030 1 1421 124 124 PHE HZ H 6.836 0.030 1 1422 124 124 PHE C C 174.472 0.300 1 1423 124 124 PHE CA C 55.933 0.300 1 1424 124 124 PHE CB C 40.260 0.300 1 1425 124 124 PHE CD1 C 132.918 0.300 1 1426 124 124 PHE CD2 C 132.918 0.300 1 1427 124 124 PHE CE1 C 131.073 0.300 1 1428 124 124 PHE CE2 C 131.073 0.300 1 1429 124 124 PHE CZ C 128.367 0.300 1 1430 124 124 PHE N N 118.087 0.300 1 1431 125 125 GLN H H 7.619 0.030 1 1432 125 125 GLN HA H 4.090 0.030 1 1433 125 125 GLN HB2 H 2.157 0.030 2 1434 125 125 GLN HB3 H 1.947 0.030 2 1435 125 125 GLN HE21 H 6.031 0.030 2 1436 125 125 GLN HE22 H 7.187 0.030 2 1437 125 125 GLN HG2 H 2.340 0.030 2 1438 125 125 GLN HG3 H 2.299 0.030 2 1439 125 125 GLN C C 175.141 0.300 1 1440 125 125 GLN CA C 56.463 0.300 1 1441 125 125 GLN CB C 30.340 0.300 1 1442 125 125 GLN CG C 34.488 0.300 1 1443 125 125 GLN N N 114.665 0.300 1 1444 125 125 GLN NE2 N 113.422 0.300 1 1445 126 126 ASN H H 8.243 0.030 1 1446 126 126 ASN HA H 4.434 0.030 1 1447 126 126 ASN HB2 H 2.767 0.030 2 1448 126 126 ASN HB3 H 2.340 0.030 2 1449 126 126 ASN HD21 H 7.332 0.030 2 1450 126 126 ASN HD22 H 6.562 0.030 2 1451 126 126 ASN C C 173.026 0.300 1 1452 126 126 ASN CA C 53.730 0.300 1 1453 126 126 ASN CB C 38.950 0.300 1 1454 126 126 ASN N N 118.553 0.300 1 1455 126 126 ASN ND2 N 110.468 0.300 1 1456 127 127 VAL H H 9.027 0.030 1 1457 127 127 VAL HA H 4.153 0.030 1 1458 127 127 VAL HB H 1.937 0.030 1 1459 127 127 VAL HG1 H 0.822 0.030 1 1460 127 127 VAL HG2 H 0.972 0.030 1 1461 127 127 VAL C C 174.454 0.300 1 1462 127 127 VAL CA C 63.600 0.300 1 1463 127 127 VAL CB C 33.046 0.300 1 1464 127 127 VAL CG1 C 22.960 0.300 2 1465 127 127 VAL CG2 C 22.099 0.300 2 1466 127 127 VAL N N 124.695 0.300 1 1467 128 128 ASN H H 10.174 0.030 1 1468 128 128 ASN HA H 4.996 0.030 1 1469 128 128 ASN HB2 H 2.784 0.030 2 1470 128 128 ASN HB3 H 2.678 0.030 2 1471 128 128 ASN HD21 H 7.352 0.030 2 1472 128 128 ASN HD22 H 6.870 0.030 2 1473 128 128 ASN C C 175.488 0.300 1 1474 128 128 ASN CA C 54.892 0.300 1 1475 128 128 ASN CB C 41.266 0.300 1 1476 128 128 ASN N N 124.384 0.300 1 1477 128 128 ASN ND2 N 112.645 0.300 1 1478 129 129 SER H H 8.348 0.030 1 1479 129 129 SER HA H 5.287 0.030 1 1480 129 129 SER HB2 H 3.957 0.030 2 1481 129 129 SER HB3 H 3.839 0.030 2 1482 129 129 SER C C 172.032 0.300 1 1483 129 129 SER CA C 57.276 0.300 1 1484 129 129 SER CB C 65.271 0.300 1 1485 129 129 SER N N 114.043 0.300 1 1486 130 130 VAL H H 9.258 0.030 1 1487 130 130 VAL HA H 5.176 0.030 1 1488 130 130 VAL HB H 1.910 0.030 1 1489 130 130 VAL HG1 H 0.887 0.030 1 1490 130 130 VAL HG2 H 1.030 0.030 1 1491 130 130 VAL C C 172.903 0.300 1 1492 130 130 VAL CA C 60.105 0.300 1 1493 130 130 VAL CB C 35.851 0.300 1 1494 130 130 VAL CG1 C 22.468 0.300 2 1495 130 130 VAL CG2 C 21.976 0.300 2 1496 130 130 VAL N N 120.419 0.300 1 1497 131 131 THR H H 9.454 0.030 1 1498 131 131 THR HA H 5.628 0.030 1 1499 131 131 THR HB H 3.768 0.030 1 1500 131 131 THR HG2 H 1.028 0.030 1 1501 131 131 THR C C 173.047 0.300 1 1502 131 131 THR CA C 61.826 0.300 1 1503 131 131 THR CB C 71.789 0.300 1 1504 131 131 THR CG2 C 21.974 0.300 1 1505 131 131 THR N N 125.317 0.300 1 1506 132 132 ILE H H 10.198 0.030 1 1507 132 132 ILE HA H 4.775 0.030 1 1508 132 132 ILE HB H 1.724 0.030 1 1509 132 132 ILE HD1 H 0.595 0.030 1 1510 132 132 ILE HG12 H 0.893 0.030 2 1511 132 132 ILE HG13 H 1.530 0.030 2 1512 132 132 ILE HG2 H 0.460 0.030 1 1513 132 132 ILE C C 174.368 0.300 1 1514 132 132 ILE CA C 59.930 0.300 1 1515 132 132 ILE CB C 40.978 0.300 1 1516 132 132 ILE CD1 C 15.089 0.300 1 1517 132 132 ILE CG1 C 28.372 0.300 1 1518 132 132 ILE CG2 C 18.164 0.300 1 1519 132 132 ILE N N 127.728 0.300 1 1520 133 133 PHE H H 9.707 0.030 1 1521 133 133 PHE HA H 5.859 0.030 1 1522 133 133 PHE HB2 H 3.081 0.030 2 1523 133 133 PHE HB3 H 3.389 0.030 2 1524 133 133 PHE HD1 H 7.303 0.030 1 1525 133 133 PHE HD2 H 7.303 0.030 1 1526 133 133 PHE HE1 H 7.377 0.030 1 1527 133 133 PHE HE2 H 7.377 0.030 1 1528 133 133 PHE HZ H 6.765 0.030 1 1529 133 133 PHE C C 174.290 0.300 1 1530 133 133 PHE CA C 52.971 0.300 1 1531 133 133 PHE CB C 41.164 0.300 1 1532 133 133 PHE CD1 C 130.704 0.300 1 1533 133 133 PHE CD2 C 130.704 0.300 1 1534 133 133 PHE CE1 C 131.688 0.300 1 1535 133 133 PHE CE2 C 131.688 0.300 1 1536 133 133 PHE CZ C 129.228 0.300 1 1537 133 133 PHE N N 128.350 0.300 1 1538 134 134 VAL H H 9.192 0.030 1 1539 134 134 VAL HA H 4.174 0.030 1 1540 134 134 VAL HB H 2.307 0.030 1 1541 134 134 VAL HG1 H 1.065 0.030 1 1542 134 134 VAL HG2 H 1.035 0.030 1 1543 134 134 VAL C C 172.565 0.300 1 1544 134 134 VAL CA C 61.990 0.300 1 1545 134 134 VAL CB C 31.346 0.300 1 1546 134 134 VAL CG1 C 21.730 0.300 2 1547 134 134 VAL CG2 C 22.099 0.300 2 1548 134 134 VAL N N 129.048 0.300 1 1549 135 135 GLN H H 8.371 0.030 1 1550 135 135 GLN HA H 3.618 0.030 1 1551 135 135 GLN HB2 H 1.968 0.030 2 1552 135 135 GLN HB3 H 1.238 0.030 2 1553 135 135 GLN HE21 H 7.750 0.030 2 1554 135 135 GLN HE22 H 6.520 0.030 2 1555 135 135 GLN HG2 H 2.189 0.030 2 1556 135 135 GLN HG3 H 2.264 0.030 2 1557 135 135 GLN C C 175.581 0.300 1 1558 135 135 GLN CA C 56.361 0.300 1 1559 135 135 GLN CB C 30.832 0.300 1 1560 135 135 GLN CG C 34.488 0.300 1 1561 135 135 GLN N N 125.939 0.300 1 1562 135 135 GLN NE2 N 110.079 0.300 1 1563 136 136 SER H H 7.738 0.030 1 1564 136 136 SER HA H 4.758 0.030 1 1565 136 136 SER HB2 H 4.092 0.030 2 1566 136 136 SER HB3 H 3.882 0.030 2 1567 136 136 SER C C 172.745 0.300 1 1568 136 136 SER CA C 55.749 0.300 1 1569 136 136 SER CB C 66.855 0.300 1 1570 136 136 SER N N 108.837 0.300 1 1571 137 137 ASN H H 8.830 0.030 1 1572 137 137 ASN HA H 5.102 0.030 1 1573 137 137 ASN HB2 H 3.098 0.030 2 1574 137 137 ASN HB3 H 2.813 0.030 2 1575 137 137 ASN HD21 H 6.633 0.030 2 1576 137 137 ASN HD22 H 7.281 0.030 2 1577 137 137 ASN C C 175.989 0.300 1 1578 137 137 ASN CA C 51.365 0.300 1 1579 137 137 ASN CB C 41.410 0.300 1 1580 137 137 ASN N N 115.754 0.300 1 1581 137 137 ASN ND2 N 114.744 0.300 1 1582 138 138 GLN H H 8.307 0.030 1 1583 138 138 GLN HA H 3.648 0.030 1 1584 138 138 GLN HB2 H 2.262 0.030 2 1585 138 138 GLN HB3 H 1.486 0.030 2 1586 138 138 GLN HE21 H 6.657 0.030 2 1587 138 138 GLN HE22 H 7.388 0.030 2 1588 138 138 GLN HG2 H 2.493 0.030 2 1589 138 138 GLN HG3 H 1.991 0.030 2 1590 138 138 GLN C C 178.215 0.300 1 1591 138 138 GLN CA C 58.787 0.300 1 1592 138 138 GLN CB C 28.495 0.300 1 1593 138 138 GLN CG C 32.185 0.300 1 1594 138 138 GLN N N 114.588 0.300 1 1595 138 138 GLN NE2 N 111.323 0.300 1 1596 139 139 GLY H H 9.371 0.030 1 1597 139 139 GLY HA2 H 4.572 0.030 2 1598 139 139 GLY HA3 H 3.486 0.030 2 1599 139 139 GLY C C 173.957 0.300 1 1600 139 139 GLY CA C 44.655 0.300 1 1601 139 139 GLY N N 105.880 0.300 1 1602 140 140 GLU H H 7.878 0.030 1 1603 140 140 GLU HA H 3.981 0.030 1 1604 140 140 GLU HB2 H 2.201 0.030 2 1605 140 140 GLU HB3 H 2.046 0.030 2 1606 140 140 GLU HG2 H 2.224 0.030 2 1607 140 140 GLU HG3 H 2.161 0.030 2 1608 140 140 GLU C C 177.338 0.300 1 1609 140 140 GLU CA C 57.399 0.300 1 1610 140 140 GLU CB C 27.265 0.300 1 1611 140 140 GLU CG C 37.064 0.300 1 1612 140 140 GLU N N 120.341 0.300 1 1613 141 141 GLU H H 8.568 0.030 1 1614 141 141 GLU HA H 4.290 0.030 1 1615 141 141 GLU HB2 H 2.221 0.030 2 1616 141 141 GLU HB3 H 1.409 0.030 2 1617 141 141 GLU HG2 H 1.838 0.030 1 1618 141 141 GLU HG3 H 1.838 0.030 1 1619 141 141 GLU C C 179.038 0.300 1 1620 141 141 GLU CA C 54.852 0.300 1 1621 141 141 GLU CB C 31.816 0.300 1 1622 141 141 GLU CG C 35.629 0.300 1 1623 141 141 GLU N N 118.760 0.300 1 1624 142 142 GLU H H 8.980 0.030 1 1625 142 142 GLU HA H 3.901 0.030 1 1626 142 142 GLU HB2 H 2.044 0.030 1 1627 142 142 GLU HB3 H 2.044 0.030 1 1628 142 142 GLU HG2 H 2.252 0.030 2 1629 142 142 GLU HG3 H 2.375 0.030 2 1630 142 142 GLU C C 176.156 0.300 1 1631 142 142 GLU CA C 59.767 0.300 1 1632 142 142 GLU CB C 30.340 0.300 1 1633 142 142 GLU CG C 36.880 0.300 1 1634 142 142 GLU N N 121.974 0.300 1 1635 143 143 THR H H 7.151 0.030 1 1636 143 143 THR HA H 4.180 0.030 1 1637 143 143 THR HB H 4.378 0.030 1 1638 143 143 THR HG2 H 0.922 0.030 1 1639 143 143 THR C C 173.113 0.300 1 1640 143 143 THR CA C 58.849 0.300 1 1641 143 143 THR CB C 72.158 0.300 1 1642 143 143 THR CG2 C 23.206 0.300 1 1643 143 143 THR N N 101.883 0.300 1 1644 144 144 THR H H 8.533 0.030 1 1645 144 144 THR HA H 4.983 0.030 1 1646 144 144 THR HB H 3.523 0.030 1 1647 144 144 THR HG2 H 1.107 0.030 1 1648 144 144 THR C C 173.726 0.300 1 1649 144 144 THR CA C 60.787 0.300 1 1650 144 144 THR CB C 70.436 0.300 1 1651 144 144 THR CG2 C 22.714 0.300 1 1652 144 144 THR N N 119.797 0.300 1 1653 145 145 ARG H H 8.594 0.030 1 1654 145 145 ARG HA H 5.615 0.030 1 1655 145 145 ARG HB2 H 0.860 0.030 2 1656 145 145 ARG HB3 H 0.827 0.030 2 1657 145 145 ARG HD2 H 2.018 0.030 2 1658 145 145 ARG HD3 H 0.755 0.030 2 1659 145 145 ARG HE H 6.432 0.030 1 1660 145 145 ARG HG2 H 0.992 0.030 2 1661 145 145 ARG HG3 H 1.273 0.030 2 1662 145 145 ARG C C 173.763 0.300 1 1663 145 145 ARG CA C 54.281 0.300 1 1664 145 145 ARG CB C 34.768 0.300 1 1665 145 145 ARG CD C 42.886 0.300 1 1666 145 145 ARG CG C 28.126 0.300 1 1667 145 145 ARG N N 122.673 0.300 1 1668 145 145 ARG NE N 86.756 0.300 1 1669 146 146 ILE H H 8.906 0.030 1 1670 146 146 ILE HA H 4.571 0.030 1 1671 146 146 ILE HB H 1.763 0.030 1 1672 146 146 ILE HD1 H 0.443 0.030 1 1673 146 146 ILE HG12 H 0.824 0.030 2 1674 146 146 ILE HG13 H 1.076 0.030 2 1675 146 146 ILE HG2 H 0.391 0.030 1 1676 146 146 ILE C C 176.189 0.300 1 1677 146 146 ILE CA C 58.258 0.300 1 1678 146 146 ILE CB C 40.020 0.300 1 1679 146 146 ILE CD1 C 13.367 0.300 1 1680 146 146 ILE CG1 C 26.896 0.300 1 1681 146 146 ILE CG2 C 16.729 0.300 1 1682 146 146 ILE N N 119.097 0.300 1 1683 147 147 SER H H 9.523 0.030 1 1684 147 147 SER HA H 4.758 0.030 1 1685 147 147 SER HB2 H 4.053 0.030 2 1686 147 147 SER HB3 H 3.602 0.030 2 1687 147 147 SER C C 174.136 0.300 1 1688 147 147 SER CA C 59.237 0.300 1 1689 147 147 SER CB C 64.172 0.300 1 1690 147 147 SER N N 122.985 0.300 1 1691 148 148 TYR H H 7.117 0.030 1 1692 148 148 TYR HA H 5.450 0.030 1 1693 148 148 TYR HB2 H 3.357 0.030 2 1694 148 148 TYR HB3 H 2.333 0.030 2 1695 148 148 TYR HD1 H 6.725 0.030 1 1696 148 148 TYR HD2 H 6.725 0.030 1 1697 148 148 TYR HE1 H 6.453 0.030 1 1698 148 148 TYR HE2 H 6.453 0.030 1 1699 148 148 TYR C C 171.858 0.300 1 1700 148 148 TYR CA C 57.258 0.300 1 1701 148 148 TYR CB C 40.163 0.300 1 1702 148 148 TYR CD1 C 132.180 0.300 1 1703 148 148 TYR CD2 C 132.180 0.300 1 1704 148 148 TYR CE1 C 117.666 0.300 1 1705 148 148 TYR CE2 C 117.666 0.300 1 1706 148 148 TYR N N 120.264 0.300 1 1707 149 149 PHE H H 7.671 0.030 1 1708 149 149 PHE HA H 5.147 0.030 1 1709 149 149 PHE HB2 H 3.025 0.030 2 1710 149 149 PHE HB3 H 2.567 0.030 2 1711 149 149 PHE HD1 H 7.107 0.030 1 1712 149 149 PHE HD2 H 7.107 0.030 1 1713 149 149 PHE HE1 H 6.766 0.030 1 1714 149 149 PHE HE2 H 6.766 0.030 1 1715 149 149 PHE HZ H 6.985 0.030 1 1716 149 149 PHE C C 172.032 0.300 1 1717 149 149 PHE CA C 53.217 0.300 1 1718 149 149 PHE CB C 42.148 0.300 1 1719 149 149 PHE CD1 C 131.319 0.300 1 1720 149 149 PHE CD2 C 131.319 0.300 1 1721 149 149 PHE CE1 C 130.089 0.300 1 1722 149 149 PHE CE2 C 130.089 0.300 1 1723 149 149 PHE CZ C 128.121 0.300 1 1724 149 149 PHE N N 129.204 0.300 1 1725 150 150 THR H H 7.976 0.030 1 1726 150 150 THR HA H 3.601 0.030 1 1727 150 150 THR HB H 3.834 0.030 1 1728 150 150 THR HG2 H 0.814 0.030 1 1729 150 150 THR C C 172.502 0.300 1 1730 150 150 THR CA C 59.736 0.300 1 1731 150 150 THR CB C 68.715 0.300 1 1732 150 150 THR CG2 C 18.287 0.300 1 1733 150 150 THR N N 113.266 0.300 1 1734 151 151 PHE H H 8.295 0.030 1 1735 151 151 PHE HA H 5.190 0.030 1 1736 151 151 PHE HB2 H 3.102 0.030 2 1737 151 151 PHE HB3 H 2.609 0.030 2 1738 151 151 PHE HD1 H 7.201 0.030 1 1739 151 151 PHE HD2 H 7.201 0.030 1 1740 151 151 PHE HE1 H 6.677 0.030 1 1741 151 151 PHE HE2 H 6.677 0.030 1 1742 151 151 PHE HZ H 7.110 0.030 1 1743 151 151 PHE C C 172.848 0.300 1 1744 151 151 PHE CA C 57.237 0.300 1 1745 151 151 PHE CB C 45.339 0.300 1 1746 151 151 PHE CD1 C 131.442 0.300 1 1747 151 151 PHE CD2 C 131.442 0.300 1 1748 151 151 PHE CE1 C 128.244 0.300 1 1749 151 151 PHE CE2 C 128.244 0.300 1 1750 151 151 PHE CZ C 128.490 0.300 1 1751 151 151 PHE N N 116.765 0.300 1 1752 152 152 ILE H H 8.799 0.030 1 1753 152 152 ILE HA H 4.985 0.030 1 1754 152 152 ILE HB H 1.993 0.030 1 1755 152 152 ILE HD1 H 0.714 0.030 1 1756 152 152 ILE HG12 H 1.072 0.030 2 1757 152 152 ILE HG13 H 1.289 0.030 2 1758 152 152 ILE HG2 H 0.753 0.030 1 1759 152 152 ILE C C 176.718 0.300 1 1760 152 152 ILE CA C 58.401 0.300 1 1761 152 152 ILE CB C 38.870 0.300 1 1762 152 152 ILE CD1 C 12.405 0.300 1 1763 152 152 ILE CG1 C 28.003 0.300 1 1764 152 152 ILE CG2 C 18.532 0.300 1 1765 152 152 ILE N N 121.663 0.300 1 1766 153 153 GLY H H 9.203 0.030 1 1767 153 153 GLY HA2 H 5.150 0.030 2 1768 153 153 GLY HA3 H 3.817 0.030 2 1769 153 153 GLY C C 171.248 0.300 1 1770 153 153 GLY CA C 46.919 0.300 1 1771 153 153 GLY N N 114.071 0.300 1 1772 154 154 THR H H 8.748 0.030 1 1773 154 154 THR HA H 5.082 0.030 1 1774 154 154 THR HB H 4.225 0.030 1 1775 154 154 THR HG2 H 1.213 0.030 1 1776 154 154 THR C C 170.453 0.300 1 1777 154 154 THR CA C 58.875 0.300 1 1778 154 154 THR CB C 71.420 0.300 1 1779 154 154 THR CG2 C 20.750 0.300 1 1780 154 154 THR N N 118.242 0.300 1 1781 155 155 PRO HA H 4.396 0.030 1 1782 155 155 PRO HB2 H 1.771 0.030 2 1783 155 155 PRO HB3 H 1.625 0.030 2 1784 155 155 PRO HD2 H 3.850 0.030 2 1785 155 155 PRO HD3 H 3.343 0.030 2 1786 155 155 PRO HG2 H 1.823 0.030 2 1787 155 155 PRO HG3 H 1.306 0.030 2 1788 155 155 PRO C C 176.183 0.300 1 1789 155 155 PRO CA C 62.906 0.300 1 1790 155 155 PRO CB C 31.324 0.300 1 1791 155 155 PRO CD C 51.126 0.300 1 1792 155 155 PRO CG C 27.679 0.300 1 1793 156 156 VAL H H 8.223 0.030 1 1794 156 156 VAL HA H 3.502 0.030 1 1795 156 156 VAL HB H 1.705 0.030 1 1796 156 156 VAL HG1 H 0.888 0.030 1 1797 156 156 VAL HG2 H 0.810 0.030 1 1798 156 156 VAL C C 176.696 0.300 1 1799 156 156 VAL CA C 65.803 0.300 1 1800 156 156 VAL CB C 32.308 0.300 1 1801 156 156 VAL CG1 C 21.238 0.300 2 1802 156 156 VAL CG2 C 23.537 0.300 2 1803 156 156 VAL N N 123.550 0.300 1 1804 157 157 GLN H H 8.538 0.030 1 1805 157 157 GLN HA H 4.338 0.030 1 1806 157 157 GLN HB2 H 1.918 0.030 2 1807 157 157 GLN HB3 H 2.020 0.030 2 1808 157 157 GLN HE21 H 7.526 0.030 2 1809 157 157 GLN HE22 H 6.877 0.030 2 1810 157 157 GLN HG2 H 2.311 0.030 1 1811 157 157 GLN HG3 H 2.311 0.030 1 1812 157 157 GLN C C 174.892 0.300 1 1813 157 157 GLN CA C 55.185 0.300 1 1814 157 157 GLN CB C 29.478 0.300 1 1815 157 157 GLN CG C 33.751 0.300 1 1816 157 157 GLN N N 121.034 0.300 1 1817 157 157 GLN NE2 N 112.178 0.300 1 1818 158 158 ALA H H 8.282 0.030 1 1819 158 158 ALA HA H 4.307 0.030 1 1820 158 158 ALA HB H 1.374 0.030 1 1821 158 158 ALA C C 177.929 0.300 1 1822 158 158 ALA CA C 52.609 0.300 1 1823 158 158 ALA CB C 19.224 0.300 1 1824 158 158 ALA N N 126.484 0.300 1 1825 159 159 THR H H 8.204 0.030 1 1826 159 159 THR HA H 4.302 0.030 1 1827 159 159 THR HB H 4.185 0.030 1 1828 159 159 THR HG2 H 1.196 0.030 1 1829 159 159 THR C C 174.136 0.300 1 1830 159 159 THR CA C 61.990 0.300 1 1831 159 159 THR CB C 69.944 0.300 1 1832 159 159 THR CG2 C 21.607 0.300 1 1833 159 159 THR N N 113.655 0.300 1 1834 160 160 ASN H H 8.534 0.030 1 1835 160 160 ASN HA H 4.731 0.030 1 1836 160 160 ASN HB2 H 2.778 0.030 2 1837 160 160 ASN HB3 H 2.873 0.030 2 1838 160 160 ASN HD21 H 7.629 0.030 2 1839 160 160 ASN HD22 H 6.907 0.030 2 1840 160 160 ASN C C 175.454 0.300 1 1841 160 160 ASN CA C 53.323 0.300 1 1842 160 160 ASN CB C 38.679 0.300 1 1843 160 160 ASN N N 120.963 0.300 1 1844 160 160 ASN ND2 N 112.800 0.300 1 1845 161 161 MET H H 8.425 0.030 1 1846 161 161 MET HA H 4.432 0.030 1 1847 161 161 MET HB2 H 1.982 0.030 2 1848 161 161 MET HB3 H 2.105 0.030 2 1849 161 161 MET HE H 2.035 0.030 1 1850 161 161 MET HG2 H 2.592 0.030 2 1851 161 161 MET HG3 H 2.497 0.030 2 1852 161 161 MET C C 176.364 0.300 1 1853 161 161 MET CA C 55.933 0.300 1 1854 161 161 MET CB C 32.308 0.300 1 1855 161 161 MET CE C 16.934 0.300 1 1856 161 161 MET CG C 32.185 0.300 1 1857 161 161 MET N N 121.041 0.300 1 1858 162 162 ASN H H 8.408 0.030 1 1859 162 162 ASN HA H 4.603 0.030 1 1860 162 162 ASN HB2 H 2.686 0.030 2 1861 162 162 ASN HB3 H 2.746 0.030 2 1862 162 162 ASN HD21 H 7.577 0.030 2 1863 162 162 ASN HD22 H 6.904 0.030 2 1864 162 162 ASN C C 174.975 0.300 1 1865 162 162 ASN CA C 53.710 0.300 1 1866 162 162 ASN CB C 38.871 0.300 1 1867 162 162 ASN N N 118.871 0.300 1 1868 162 162 ASN ND2 N 113.113 0.300 1 1869 163 163 ASP H H 8.103 0.030 1 1870 163 163 ASP HA H 4.518 0.030 1 1871 163 163 ASP HB2 H 2.515 0.030 2 1872 163 163 ASP HB3 H 2.587 0.030 2 1873 163 163 ASP C C 175.960 0.300 1 1874 163 163 ASP CA C 54.403 0.300 1 1875 163 163 ASP CB C 41.041 0.300 1 1876 163 163 ASP N N 120.108 0.300 1 1877 164 164 PHE H H 8.026 0.030 1 1878 164 164 PHE HA H 4.546 0.030 1 1879 164 164 PHE HB2 H 3.029 0.030 2 1880 164 164 PHE HB3 H 3.138 0.030 2 1881 164 164 PHE C C 175.766 0.300 1 1882 164 164 PHE CA C 57.972 0.300 1 1883 164 164 PHE CB C 39.196 0.300 1 1884 164 164 PHE N N 120.159 0.300 1 1885 165 165 LYS H H 8.121 0.030 1 1886 165 165 LYS HA H 4.307 0.030 1 1887 165 165 LYS HB2 H 1.709 0.030 2 1888 165 165 LYS HB3 H 1.797 0.030 2 1889 165 165 LYS HD2 H 1.640 0.030 1 1890 165 165 LYS HD3 H 1.640 0.030 1 1891 165 165 LYS HE2 H 2.969 0.030 1 1892 165 165 LYS HE3 H 2.969 0.030 1 1893 165 165 LYS HG2 H 1.361 0.030 1 1894 165 165 LYS HG3 H 1.361 0.030 1 1895 165 165 LYS C C 176.258 0.300 1 1896 165 165 LYS CA C 56.157 0.300 1 1897 165 165 LYS CB C 33.046 0.300 1 1898 165 165 LYS CD C 28.987 0.300 1 1899 165 165 LYS CE C 42.148 0.300 1 1900 165 165 LYS CG C 24.642 0.300 1 1901 165 165 LYS N N 122.752 0.300 1 1902 166 166 SER H H 8.210 0.030 1 1903 166 166 SER HA H 4.453 0.030 1 1904 166 166 SER HB2 H 3.846 0.030 1 1905 166 166 SER HB3 H 3.846 0.030 1 1906 166 166 SER C C 174.532 0.300 1 1907 166 166 SER CA C 58.319 0.300 1 1908 166 166 SER CB C 63.918 0.300 1 1909 166 166 SER N N 116.687 0.300 1 1910 167 167 GLY H H 8.216 0.030 1 1911 167 167 GLY HA2 H 4.080 0.030 2 1912 167 167 GLY HA3 H 4.139 0.030 2 1913 167 167 GLY C C 171.755 0.300 1 1914 167 167 GLY CA C 44.683 0.300 1 1915 167 167 GLY N N 110.622 0.300 1 1916 168 168 PRO HA H 4.468 0.030 1 1917 168 168 PRO HB2 H 2.272 0.030 2 1918 168 168 PRO HB3 H 1.963 0.030 2 1919 168 168 PRO HD2 H 3.608 0.030 1 1920 168 168 PRO HD3 H 3.608 0.030 1 1921 168 168 PRO HG2 H 1.995 0.030 2 1922 168 168 PRO HG3 H 1.730 0.030 2 1923 168 168 PRO C C 177.394 0.300 1 1924 168 168 PRO CA C 63.231 0.300 1 1925 168 168 PRO CB C 32.230 0.300 1 1926 168 168 PRO CD C 49.773 0.300 1 1927 168 168 PRO CG C 27.142 0.300 1 1928 169 169 SER H H 8.528 0.030 1 1929 169 169 SER HA H 4.493 0.030 1 1930 169 169 SER HB2 H 3.896 0.030 1 1931 169 169 SER HB3 H 3.896 0.030 1 1932 169 169 SER C C 174.718 0.300 1 1933 169 169 SER CA C 58.401 0.300 1 1934 169 169 SER CB C 63.932 0.300 1 1935 169 169 SER N N 116.402 0.300 1 1936 170 170 SER H H 8.324 0.030 1 1937 170 170 SER HA H 4.493 0.030 1 1938 170 170 SER HB2 H 3.883 0.030 1 1939 170 170 SER HB3 H 3.883 0.030 1 1940 170 170 SER C C 173.950 0.300 1 1941 170 170 SER CA C 58.367 0.300 1 1942 170 170 SER CB C 63.968 0.300 1 1943 170 170 SER N N 117.775 0.300 1 1944 171 171 GLY H H 8.052 0.030 1 1945 171 171 GLY HA2 H 3.777 0.030 2 1946 171 171 GLY HA3 H 3.738 0.030 2 1947 171 171 GLY C C 179.014 0.300 1 1948 171 171 GLY CA C 46.236 0.300 1 1949 171 171 GLY N N 116.842 0.300 1 stop_ save_