data_15922 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure of the PPIL1 bound to a fragment of SKIP ; _BMRB_accession_number 15922 _BMRB_flat_file_name bmr15922.str _Entry_type original _Submission_date 2008-08-17 _Accession_date 2008-08-17 _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 Wang Xingsheng . . 2 Wu Jihui . . 3 Shi Yunyu . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 984 "13C chemical shifts" 519 "15N chemical shifts" 186 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2010-05-27 update BMRB 'update entity/assembly name' 2010-03-16 update BMRB 'completed entry citation' 2010-01-11 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'A large intrinsically disordered region in SKIP and its disorder-order transition induced by PPIL1 binding revealed by NMR.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20007319 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wang Xingsheng . . 2 Zhang Shaojie . . 3 Zhang Jiahai . . 4 Huang Xiaojuan . . 5 Xu Chao . . 6 Wang Weiwei . . 7 Liu Zhijun . . 8 Wu Jihui . . 9 Shi Yunyu . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_name_full 'The Journal of biological chemistry' _Journal_volume 285 _Journal_issue 7 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 4951 _Page_last 4963 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name PPIL1/SKIP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label PPIL1/SKIP $entity_2 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_2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PPIL1/SKIP _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 203 _Mol_residue_sequence ; MAAIPPDSWQPPNVYLETSM GIIVLELYWKHAPKTCKNFA ELARRGYYNGTKFHRIIKDF MIQGGDPTGTGRGGASIYGK QFEDELHPDLKFTGAGILAM ANAGPDTNGSQFFVTLAPTQ WLDGKHTIFGRVCQGIGMVN RVGMVETNSQDRPVDDVKII KAYPSGGGGSGGGSGGGSGG GSGDGGAFPEIHVAQYPLDM GRK ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 ALA 4 ILE 5 PRO 6 PRO 7 ASP 8 SER 9 TRP 10 GLN 11 PRO 12 PRO 13 ASN 14 VAL 15 TYR 16 LEU 17 GLU 18 THR 19 SER 20 MET 21 GLY 22 ILE 23 ILE 24 VAL 25 LEU 26 GLU 27 LEU 28 TYR 29 TRP 30 LYS 31 HIS 32 ALA 33 PRO 34 LYS 35 THR 36 CYS 37 LYS 38 ASN 39 PHE 40 ALA 41 GLU 42 LEU 43 ALA 44 ARG 45 ARG 46 GLY 47 TYR 48 TYR 49 ASN 50 GLY 51 THR 52 LYS 53 PHE 54 HIS 55 ARG 56 ILE 57 ILE 58 LYS 59 ASP 60 PHE 61 MET 62 ILE 63 GLN 64 GLY 65 GLY 66 ASP 67 PRO 68 THR 69 GLY 70 THR 71 GLY 72 ARG 73 GLY 74 GLY 75 ALA 76 SER 77 ILE 78 TYR 79 GLY 80 LYS 81 GLN 82 PHE 83 GLU 84 ASP 85 GLU 86 LEU 87 HIS 88 PRO 89 ASP 90 LEU 91 LYS 92 PHE 93 THR 94 GLY 95 ALA 96 GLY 97 ILE 98 LEU 99 ALA 100 MET 101 ALA 102 ASN 103 ALA 104 GLY 105 PRO 106 ASP 107 THR 108 ASN 109 GLY 110 SER 111 GLN 112 PHE 113 PHE 114 VAL 115 THR 116 LEU 117 ALA 118 PRO 119 THR 120 GLN 121 TRP 122 LEU 123 ASP 124 GLY 125 LYS 126 HIS 127 THR 128 ILE 129 PHE 130 GLY 131 ARG 132 VAL 133 CYS 134 GLN 135 GLY 136 ILE 137 GLY 138 MET 139 VAL 140 ASN 141 ARG 142 VAL 143 GLY 144 MET 145 VAL 146 GLU 147 THR 148 ASN 149 SER 150 GLN 151 ASP 152 ARG 153 PRO 154 VAL 155 ASP 156 ASP 157 VAL 158 LYS 159 ILE 160 ILE 161 LYS 162 ALA 163 TYR 164 PRO 165 SER 166 GLY 167 GLY 168 GLY 169 GLY 170 SER 171 GLY 172 GLY 173 GLY 174 SER 175 GLY 176 GLY 177 GLY 178 SER 179 GLY 180 GLY 181 GLY 182 SER 183 GLY 184 ASP 185 GLY 186 GLY 187 ALA 188 PHE 189 PRO 190 GLU 191 ILE 192 HIS 193 VAL 194 ALA 195 GLN 196 TYR 197 PRO 198 LEU 199 ASP 200 MET 201 GLY 202 ARG 203 LYS 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 1XWN "Solution Structure Of Cyclophilin Like 1(Ppil1) And Insights Into Its Interaction With Skip" 81.77 174 100.00 100.00 4.14e-119 PDB 2K7N "Solution Structure Of The Ppil1 Bound To A Fragment Of Skip" 100.00 203 100.00 100.00 1.65e-145 PDB 2X7K "The Crystal Structure Of Ppil1 In Complex With Cyclosporine A Suggests A Binding Mode For Skip" 81.77 166 100.00 100.00 3.39e-119 DBJ BAB23265 "unnamed protein product [Mus musculus]" 81.77 166 98.19 100.00 2.56e-118 DBJ BAE00661 "unnamed protein product [Macaca fascicularis]" 75.86 156 99.35 100.00 1.16e-109 DBJ BAE29731 "unnamed protein product [Mus musculus]" 81.77 166 98.19 100.00 2.56e-118 DBJ BAE30513 "unnamed protein product [Mus musculus]" 81.77 166 98.19 100.00 2.56e-118 DBJ BAE33862 "unnamed protein product [Mus musculus]" 81.77 166 98.19 100.00 1.65e-118 GB AAD34119 "CGI-124 protein [Homo sapiens]" 81.77 166 100.00 100.00 3.39e-119 GB AAH03048 "Peptidylprolyl isomerase (cyclophilin)-like 1 [Homo sapiens]" 81.77 166 100.00 100.00 3.39e-119 GB AAH58369 "Peptidylprolyl isomerase (cyclophilin)-like 1 [Mus musculus]" 81.77 166 98.19 100.00 2.56e-118 GB AAH99188 "Peptidylprolyl isomerase (cyclophilin)-like 1 [Rattus norvegicus]" 81.77 166 98.80 100.00 1.73e-118 GB AAI02397 "Peptidylprolyl isomerase (cyclophilin)-like 1 [Bos taurus]" 81.77 166 100.00 100.00 3.39e-119 REF NP_001014869 "peptidyl-prolyl cis-trans isomerase-like 1 [Bos taurus]" 81.77 166 100.00 100.00 3.39e-119 REF NP_001029360 "peptidyl-prolyl cis-trans isomerase-like 1 [Rattus norvegicus]" 81.77 166 98.80 100.00 1.73e-118 REF NP_001233365 "peptidyl-prolyl cis-trans isomerase-like 1 [Pan troglodytes]" 81.77 166 100.00 100.00 3.39e-119 REF NP_001271748 "uncharacterized protein LOC101866933 [Macaca fascicularis]" 75.86 156 99.35 100.00 1.16e-109 REF NP_057143 "peptidyl-prolyl cis-trans isomerase-like 1 [Homo sapiens]" 81.77 166 100.00 100.00 3.39e-119 SP Q5E992 "RecName: Full=Peptidyl-prolyl cis-trans isomerase-like 1; Short=PPIase; AltName: Full=Rotamase PPIL1" 81.77 166 100.00 100.00 3.39e-119 SP Q9D0W5 "RecName: Full=Peptidyl-prolyl cis-trans isomerase-like 1; Short=PPIase; AltName: Full=Rotamase PPIL1" 81.77 166 98.19 100.00 2.56e-118 SP Q9Y3C6 "RecName: Full=Peptidyl-prolyl cis-trans isomerase-like 1; Short=PPIase; AltName: Full=Rotamase PPIL1" 81.77 166 100.00 100.00 3.39e-119 TPG DAA16620 "TPA: peptidylprolyl isomerase-like 1 [Bos taurus]" 81.77 166 100.00 100.00 3.39e-119 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_2 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_name $entity_2 'recombinant technology' . Escherichia coli . pET22b stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Saveframe_category sample _Sample_type solution _Details '50mM phosphate buffer, 50 mM NaCl' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling D2O 100 % 'natural abundance' $entity_2 . mM 'natural abundance' 'phosphate buffer' 50 mM 'natural abundance' NaCl 50 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CNS _Saveframe_category software _Name CNS _Version . loop_ _Vendor _Address _Electronic_address 'Brunger A. T. et.al.' . . stop_ loop_ _Task refinement stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DMX _Field_strength 600 _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 save_ save_3D_13C-separated_NOES_2 _Saveframe_category NMR_applied_experiment _Experiment_name 3D_13C-separated_NOES _Sample_label $sample save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 50 . mM pH 6.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 . 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label 3D_15N-separated_NOESY 3D_13C-separated_NOES stop_ loop_ _Sample_label $sample stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name PPIL1/SKIP _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 ALA HA H 3.844 0.000 1 2 2 2 ALA HB H 1.336 0.000 . 3 2 2 ALA CA C 51.656 0.000 1 4 2 2 ALA CB C 19.757 0.000 1 5 3 3 ALA HA H 4.290 0.000 1 6 3 3 ALA HB H 1.219 0.000 . 7 3 3 ALA CA C 51.688 0.000 1 8 3 3 ALA CB C 19.658 0.000 1 9 4 4 ILE HA H 4.118 0.000 1 10 4 4 ILE HB H 1.836 0.000 1 11 4 4 ILE HD1 H 0.841 0.000 . 12 4 4 ILE HG12 H 1.552 0.000 . 13 4 4 ILE HG13 H 1.552 0.000 . 14 4 4 ILE HG2 H 0.986 0.000 . 15 4 4 ILE CA C 58.056 0.000 1 16 4 4 ILE CD1 C 12.611 0.000 1 17 4 4 ILE CG2 C 17.435 0.000 1 18 7 7 ASP HA H 4.421 0.000 1 19 7 7 ASP HB2 H 2.815 0.000 2 20 7 7 ASP HB3 H 2.581 0.000 2 21 7 7 ASP CA C 56.681 0.000 1 22 7 7 ASP CB C 39.304 0.000 1 23 8 8 SER H H 7.508 0.000 1 24 8 8 SER HA H 4.038 0.000 1 25 8 8 SER HB2 H 3.941 0.000 2 26 8 8 SER HB3 H 3.745 0.000 2 27 8 8 SER CA C 58.557 0.000 1 28 8 8 SER CB C 63.138 0.000 1 29 8 8 SER N N 109.826 0.000 1 30 9 9 TRP H H 7.515 0.000 1 31 9 9 TRP HA H 4.381 0.000 1 32 9 9 TRP HB2 H 3.559 0.000 2 33 9 9 TRP HB3 H 2.807 0.000 2 34 9 9 TRP HD1 H 7.298 0.000 1 35 9 9 TRP HE1 H 10.270 0.000 1 36 9 9 TRP CA C 58.464 0.000 1 37 9 9 TRP CB C 26.831 0.000 1 38 9 9 TRP N N 126.399 0.000 1 39 9 9 TRP NE1 N 130.938 0.000 1 40 10 10 GLN H H 7.589 0.000 1 41 10 10 GLN HA H 4.437 0.000 1 42 10 10 GLN HB2 H 2.559 0.000 2 43 10 10 GLN HB3 H 2.559 0.000 2 44 10 10 GLN HE21 H 7.305 0.000 2 45 10 10 GLN HE22 H 6.507 0.000 2 46 10 10 GLN CA C 51.494 0.000 1 47 10 10 GLN CB C 26.862 0.000 1 48 10 10 GLN N N 123.494 0.000 1 49 10 10 GLN NE2 N 110.375 0.000 1 50 12 12 PRO HA H 4.476 0.000 1 51 12 12 PRO HB2 H 2.449 0.000 2 52 12 12 PRO HB3 H 1.968 0.000 2 53 12 12 PRO HD2 H 3.908 0.000 2 54 12 12 PRO HD3 H 3.908 0.000 2 55 12 12 PRO HG2 H 2.188 0.000 2 56 12 12 PRO HG3 H 2.119 0.000 2 57 12 12 PRO CA C 65.165 0.000 1 58 12 12 PRO CB C 32.952 0.000 1 59 12 12 PRO CD C 51.272 0.000 1 60 12 12 PRO CG C 27.675 0.000 1 61 13 13 ASN H H 7.731 0.000 1 62 13 13 ASN HA H 6.187 0.000 1 63 13 13 ASN HB2 H 2.312 0.000 2 64 13 13 ASN HB3 H 2.196 0.000 2 65 13 13 ASN HD21 H 7.569 0.000 2 66 13 13 ASN HD22 H 6.810 0.000 2 67 13 13 ASN CA C 51.563 0.000 1 68 13 13 ASN CB C 43.994 0.000 1 69 13 13 ASN N N 110.645 0.000 1 70 13 13 ASN ND2 N 110.059 0.000 1 71 14 14 VAL H H 8.113 0.000 1 72 14 14 VAL HA H 4.481 0.000 1 73 14 14 VAL HB H 1.649 0.000 1 74 14 14 VAL HG1 H 0.892 0.000 . 75 14 14 VAL HG2 H 0.481 0.000 . 76 14 14 VAL CA C 61.901 0.000 1 77 14 14 VAL CB C 36.258 0.000 1 78 14 14 VAL CG1 C 22.736 0.000 2 79 14 14 VAL CG2 C 21.165 0.000 2 80 14 14 VAL N N 116.881 0.000 1 81 15 15 TYR H H 8.862 0.000 1 82 15 15 TYR HA H 4.326 0.000 1 83 15 15 TYR HB2 H 2.100 0.000 2 84 15 15 TYR HB3 H 1.851 0.000 2 85 15 15 TYR HD1 H 6.825 0.000 3 86 15 15 TYR HD2 H 6.825 0.000 3 87 15 15 TYR CA C 57.954 0.000 1 88 15 15 TYR CB C 39.933 0.000 1 89 15 15 TYR N N 128.445 0.000 1 90 16 16 LEU H H 9.134 0.000 1 91 16 16 LEU HA H 4.732 0.000 1 92 16 16 LEU HB2 H 2.200 0.000 2 93 16 16 LEU HB3 H 2.200 0.000 2 94 16 16 LEU HD1 H 0.794 0.000 . 95 16 16 LEU HD2 H 0.653 0.000 . 96 16 16 LEU HG H 1.294 0.000 1 97 16 16 LEU CA C 52.959 0.000 1 98 16 16 LEU CB C 42.972 0.000 1 99 16 16 LEU CD1 C 19.895 0.000 2 100 16 16 LEU CD2 C 23.439 0.000 2 101 16 16 LEU CG C 25.242 0.000 1 102 16 16 LEU N N 119.099 0.000 1 103 17 17 GLU H H 9.320 0.000 1 104 17 17 GLU HA H 4.576 0.000 1 105 17 17 GLU HB2 H 2.243 0.000 2 106 17 17 GLU HB3 H 2.243 0.000 2 107 17 17 GLU CA C 56.540 0.000 1 108 17 17 GLU CB C 27.671 0.000 1 109 17 17 GLU CG C 35.589 0.000 1 110 17 17 GLU N N 123.965 0.000 1 111 18 18 THR H H 7.979 0.000 1 112 18 18 THR HA H 5.783 0.000 1 113 18 18 THR HB H 4.539 0.000 1 114 18 18 THR HG2 H 1.287 0.000 . 115 18 18 THR CA C 60.869 0.000 1 116 18 18 THR CB C 73.112 0.000 1 117 18 18 THR CG2 C 21.675 0.000 1 118 18 18 THR N N 115.260 0.000 1 119 19 19 SER H H 9.488 0.000 1 120 19 19 SER HA H 4.294 0.000 1 121 19 19 SER HB2 H 3.952 0.000 2 122 19 19 SER HB3 H 3.952 0.000 2 123 19 19 SER CA C 61.115 0.000 1 124 19 19 SER CB C 63.202 0.000 1 125 19 19 SER N N 115.772 0.000 1 126 20 20 MET H H 8.239 0.000 1 127 20 20 MET HA H 4.591 0.000 1 128 20 20 MET HB2 H 2.335 0.000 2 129 20 20 MET HB3 H 1.349 0.000 2 130 20 20 MET HE H 1.941 0.000 . 131 20 20 MET HG2 H 2.466 0.000 2 132 20 20 MET HG3 H 2.466 0.000 2 133 20 20 MET CA C 55.829 0.000 1 134 20 20 MET CB C 34.031 0.000 1 135 20 20 MET CE C 16.976 0.000 1 136 20 20 MET CG C 33.331 0.000 1 137 20 20 MET N N 119.118 0.000 1 138 21 21 GLY H H 7.121 0.000 1 139 21 21 GLY HA2 H 4.808 0.000 2 140 21 21 GLY HA3 H 3.895 0.000 2 141 21 21 GLY CA C 43.969 0.000 1 142 21 21 GLY N N 105.946 0.000 1 143 22 22 ILE H H 8.791 0.000 1 144 22 22 ILE HA H 4.814 0.000 1 145 22 22 ILE HB H 1.809 0.000 1 146 22 22 ILE HD1 H 0.847 0.000 . 147 22 22 ILE HG12 H 1.458 0.000 . 148 22 22 ILE HG13 H 1.458 0.000 . 149 22 22 ILE HG2 H 0.974 0.000 . 150 22 22 ILE CA C 62.361 0.000 1 151 22 22 ILE CB C 38.928 0.000 1 152 22 22 ILE CD1 C 13.522 0.000 1 153 22 22 ILE CG1 C 28.904 0.000 1 154 22 22 ILE CG2 C 17.352 0.000 1 155 22 22 ILE N N 123.255 0.000 1 156 23 23 ILE H H 8.899 0.000 1 157 23 23 ILE HA H 4.306 0.000 1 158 23 23 ILE HB H 1.615 0.000 1 159 23 23 ILE HD1 H 0.627 0.000 . 160 23 23 ILE HG12 H 1.647 0.000 2 161 23 23 ILE HG13 H 1.685 0.000 2 162 23 23 ILE HG2 H 0.731 0.000 . 163 23 23 ILE CA C 60.468 0.000 1 164 23 23 ILE CB C 42.235 0.000 1 165 23 23 ILE CD1 C 14.107 0.000 1 166 23 23 ILE CG1 C 26.943 0.000 1 167 23 23 ILE CG2 C 17.715 0.000 1 168 23 23 ILE N N 127.498 0.000 1 169 24 24 VAL H H 8.625 0.000 1 170 24 24 VAL HA H 4.306 0.000 1 171 24 24 VAL HB H 1.837 0.000 1 172 24 24 VAL HG1 H 0.452 0.000 . 173 24 24 VAL HG2 H 0.212 0.000 . 174 24 24 VAL CA C 61.571 0.000 1 175 24 24 VAL CB C 31.568 0.000 1 176 24 24 VAL CG1 C 21.274 0.000 2 177 24 24 VAL CG2 C 21.063 0.000 2 178 24 24 VAL N N 125.853 0.000 1 179 25 25 LEU H H 9.029 0.000 1 180 25 25 LEU HA H 4.909 0.000 1 181 25 25 LEU HB2 H 1.689 0.000 2 182 25 25 LEU HB3 H 1.689 0.000 2 183 25 25 LEU HD1 H 0.610 0.000 . 184 25 25 LEU HD2 H 0.492 0.000 . 185 25 25 LEU HG H 1.514 0.000 1 186 25 25 LEU CA C 52.770 0.000 1 187 25 25 LEU CB C 42.785 0.000 1 188 25 25 LEU CD1 C 25.200 0.000 2 189 25 25 LEU CD2 C 22.993 0.000 2 190 25 25 LEU CG C 26.718 0.000 1 191 25 25 LEU N N 127.436 0.000 1 192 26 26 GLU H H 9.504 0.000 1 193 26 26 GLU HA H 4.917 0.000 1 194 26 26 GLU HB2 H 2.063 0.000 2 195 26 26 GLU HB3 H 1.938 0.000 2 196 26 26 GLU HG2 H 2.302 0.000 2 197 26 26 GLU HG3 H 2.302 0.000 2 198 26 26 GLU CA C 54.703 0.000 1 199 26 26 GLU CB C 32.260 0.000 1 200 26 26 GLU CG C 36.196 0.000 1 201 26 26 GLU N N 125.190 0.000 1 202 27 27 LEU H H 7.793 0.000 1 203 27 27 LEU HA H 4.722 0.000 1 204 27 27 LEU HB2 H 1.603 0.000 2 205 27 27 LEU HB3 H 1.603 0.000 2 206 27 27 LEU HD1 H 0.644 0.000 . 207 27 27 LEU HD2 H 0.891 0.000 . 208 27 27 LEU HG H 1.540 0.000 1 209 27 27 LEU CA C 54.721 0.000 1 210 27 27 LEU CB C 40.995 0.000 1 211 27 27 LEU CD1 C 24.666 0.000 2 212 27 27 LEU CD2 C 23.523 0.000 2 213 27 27 LEU N N 124.315 0.000 1 214 28 28 TYR H H 8.762 0.000 1 215 28 28 TYR HA H 4.925 0.000 1 216 28 28 TYR HB2 H 3.349 0.000 2 217 28 28 TYR HB3 H 2.247 0.000 2 218 28 28 TYR HD1 H 6.597 0.000 3 219 28 28 TYR HD2 H 6.597 0.000 3 220 28 28 TYR CA C 56.345 0.000 1 221 28 28 TYR CB C 34.060 0.000 1 222 28 28 TYR N N 129.479 0.000 1 223 29 29 TRP H H 7.299 0.000 1 224 29 29 TRP HA H 3.975 0.000 1 225 29 29 TRP HB2 H 3.249 0.000 2 226 29 29 TRP HB3 H 2.937 0.000 2 227 29 29 TRP HD1 H 7.158 0.000 1 228 29 29 TRP HE1 H 10.037 0.000 1 229 29 29 TRP HZ2 H 6.890 0.000 1 230 29 29 TRP CA C 61.405 0.000 1 231 29 29 TRP CB C 30.404 0.000 1 232 29 29 TRP N N 122.260 0.000 1 233 29 29 TRP NE1 N 130.720 0.000 1 234 30 30 LYS H H 8.787 0.000 1 235 30 30 LYS HA H 4.055 0.000 1 236 30 30 LYS HB2 H 1.654 0.000 2 237 30 30 LYS HB3 H 1.506 0.000 2 238 30 30 LYS HD2 H 1.529 0.000 2 239 30 30 LYS HD3 H 1.529 0.000 2 240 30 30 LYS HE2 H 2.813 0.000 2 241 30 30 LYS HE3 H 2.813 0.000 2 242 30 30 LYS HG2 H 1.373 0.000 2 243 30 30 LYS HG3 H 1.192 0.000 2 244 30 30 LYS CA C 58.066 0.000 1 245 30 30 LYS CB C 31.322 0.000 1 246 30 30 LYS CD C 28.789 0.000 1 247 30 30 LYS CE C 42.221 0.000 1 248 30 30 LYS CG C 25.166 0.000 1 249 30 30 LYS N N 114.950 0.000 1 250 31 31 HIS H H 7.302 0.000 1 251 31 31 HIS HA H 4.150 0.000 1 252 31 31 HIS HB2 H 2.930 0.000 2 253 31 31 HIS HB3 H 2.814 0.000 2 254 31 31 HIS CA C 59.919 0.000 1 255 31 31 HIS CB C 33.219 0.000 1 256 31 31 HIS N N 116.710 0.000 1 257 32 32 ALA H H 7.483 0.000 1 258 32 32 ALA HA H 4.792 0.000 1 259 32 32 ALA HB H 1.339 0.000 . 260 32 32 ALA CA C 50.263 0.000 1 261 32 32 ALA CB C 19.122 0.000 1 262 32 32 ALA N N 118.228 0.000 1 263 33 33 PRO HA H 4.444 0.000 1 264 33 33 PRO HB2 H 2.307 0.000 2 265 33 33 PRO HB3 H 2.307 0.000 2 266 33 33 PRO HG2 H 2.205 0.000 2 267 33 33 PRO HG3 H 2.205 0.000 2 268 33 33 PRO CA C 66.870 0.000 1 269 33 33 PRO CB C 31.738 0.000 1 270 33 33 PRO CD C 49.738 0.000 1 271 33 33 PRO CG C 27.996 0.000 1 272 34 34 LYS H H 10.470 0.000 1 273 34 34 LYS HA H 3.998 0.000 1 274 34 34 LYS HB2 H 1.826 0.000 2 275 34 34 LYS HB3 H 1.516 0.000 2 276 34 34 LYS HD2 H 1.494 0.000 2 277 34 34 LYS HD3 H 1.494 0.000 2 278 34 34 LYS HE2 H 2.389 0.000 2 279 34 34 LYS HE3 H 2.389 0.000 2 280 34 34 LYS HG2 H 1.459 0.000 2 281 34 34 LYS HG3 H 1.201 0.000 2 282 34 34 LYS CA C 60.399 0.000 1 283 34 34 LYS CB C 31.804 0.000 1 284 34 34 LYS CD C 29.550 0.000 1 285 34 34 LYS CE C 41.233 0.000 1 286 34 34 LYS CG C 26.202 0.000 1 287 34 34 LYS N N 124.373 0.000 1 288 35 35 THR H H 10.043 0.000 1 289 35 35 THR HA H 4.005 0.000 1 290 35 35 THR HB H 3.941 0.000 1 291 35 35 THR HG2 H 0.322 0.000 . 292 35 35 THR CA C 60.495 0.000 1 293 35 35 THR CB C 66.633 0.000 1 294 35 35 THR CG2 C 23.195 0.000 1 295 35 35 THR N N 123.698 0.000 1 296 36 36 CYS H H 8.658 0.000 1 297 36 36 CYS HA H 3.583 0.000 1 298 36 36 CYS HB2 H 2.888 0.000 2 299 36 36 CYS HB3 H 2.888 0.000 2 300 36 36 CYS CA C 65.567 0.000 1 301 36 36 CYS CB C 24.350 0.000 1 302 36 36 CYS N N 123.782 0.000 1 303 37 37 LYS H H 7.960 0.000 1 304 37 37 LYS HA H 4.167 0.000 1 305 37 37 LYS HB2 H 2.579 0.000 2 306 37 37 LYS HB3 H 2.087 0.000 2 307 37 37 LYS HD2 H 1.881 0.000 2 308 37 37 LYS HD3 H 1.741 0.000 2 309 37 37 LYS HE2 H 3.265 0.000 2 310 37 37 LYS HE3 H 3.265 0.000 2 311 37 37 LYS CA C 61.308 0.000 1 312 37 37 LYS CB C 31.612 0.000 1 313 37 37 LYS CD C 27.408 0.000 1 314 37 37 LYS CE C 40.720 0.000 1 315 37 37 LYS CG C 23.583 0.000 1 316 37 37 LYS N N 119.641 0.000 1 317 38 38 ASN H H 7.242 0.000 1 318 38 38 ASN HA H 3.974 0.000 1 319 38 38 ASN HB2 H 2.791 0.000 2 320 38 38 ASN HB3 H 2.206 0.000 2 321 38 38 ASN HD21 H 9.194 0.000 2 322 38 38 ASN HD22 H 6.783 0.000 2 323 38 38 ASN CA C 57.280 0.000 1 324 38 38 ASN CB C 40.271 0.000 1 325 38 38 ASN N N 113.753 0.000 1 326 38 38 ASN ND2 N 116.753 0.000 1 327 39 39 PHE H H 7.642 0.000 1 328 39 39 PHE HA H 4.326 0.000 1 329 39 39 PHE HB2 H 3.501 0.000 2 330 39 39 PHE HB3 H 2.647 0.000 2 331 39 39 PHE HD1 H 6.143 0.000 3 332 39 39 PHE HD2 H 5.897 0.000 3 333 39 39 PHE CA C 61.853 0.000 1 334 39 39 PHE CB C 41.440 0.000 1 335 39 39 PHE N N 117.827 0.000 1 336 40 40 ALA H H 8.797 0.000 1 337 40 40 ALA HA H 3.883 0.000 1 338 40 40 ALA HB H 1.510 0.000 . 339 40 40 ALA CA C 55.832 0.000 1 340 40 40 ALA CB C 18.922 0.000 1 341 40 40 ALA N N 117.867 0.000 1 342 41 41 GLU H H 8.762 0.000 1 343 41 41 GLU HA H 5.057 0.000 1 344 41 41 GLU HB2 H 2.077 0.000 2 345 41 41 GLU HB3 H 1.887 0.000 2 346 41 41 GLU HG2 H 2.269 0.000 2 347 41 41 GLU HG3 H 2.269 0.000 2 348 41 41 GLU CA C 58.145 0.000 1 349 41 41 GLU CB C 28.878 0.000 1 350 41 41 GLU CG C 33.995 0.000 1 351 41 41 GLU N N 119.152 0.000 1 352 42 42 LEU H H 8.601 0.000 1 353 42 42 LEU HA H 3.603 0.000 1 354 42 42 LEU HB2 H 1.755 0.000 2 355 42 42 LEU HB3 H 1.755 0.000 2 356 42 42 LEU HD1 H 0.633 0.000 . 357 42 42 LEU HD2 H -0.146 0.000 . 358 42 42 LEU HG H 1.669 0.000 1 359 42 42 LEU CA C 58.625 0.000 1 360 42 42 LEU CB C 40.442 0.000 1 361 42 42 LEU CD1 C 26.025 0.000 2 362 42 42 LEU CD2 C 21.318 0.000 2 363 42 42 LEU CG C 25.831 0.000 1 364 42 42 LEU N N 121.861 0.000 1 365 43 43 ALA H H 8.131 0.000 1 366 43 43 ALA HA H 4.178 0.000 1 367 43 43 ALA HB H 1.154 0.000 . 368 43 43 ALA CA C 54.514 0.000 1 369 43 43 ALA CB C 16.791 0.000 1 370 43 43 ALA N N 118.379 0.000 1 371 44 44 ARG H H 8.776 0.000 1 372 44 44 ARG HA H 3.964 0.000 1 373 44 44 ARG HB2 H 2.339 0.000 2 374 44 44 ARG HB3 H 2.143 0.000 2 375 44 44 ARG HD2 H 3.371 0.000 2 376 44 44 ARG HD3 H 3.371 0.000 2 377 44 44 ARG HG2 H 1.811 0.000 2 378 44 44 ARG HG3 H 1.811 0.000 2 379 44 44 ARG CA C 60.029 0.000 1 380 44 44 ARG CB C 30.050 0.000 1 381 44 44 ARG CD C 42.609 0.000 1 382 44 44 ARG CG C 25.282 0.000 1 383 44 44 ARG N N 120.929 0.000 1 384 45 45 ARG H H 8.581 0.000 1 385 45 45 ARG HA H 4.097 0.000 1 386 45 45 ARG HB2 H 2.045 0.000 2 387 45 45 ARG HB3 H 2.045 0.000 2 388 45 45 ARG HD2 H 3.135 0.000 2 389 45 45 ARG HD3 H 3.135 0.000 2 390 45 45 ARG HG2 H 1.624 0.000 2 391 45 45 ARG HG3 H 1.624 0.000 2 392 45 45 ARG CA C 58.162 0.000 1 393 45 45 ARG CB C 31.646 0.000 1 394 45 45 ARG CD C 44.489 0.000 1 395 45 45 ARG CG C 27.042 0.000 1 396 45 45 ARG N N 115.951 0.000 1 397 46 46 GLY H H 8.151 0.000 1 398 46 46 GLY HA2 H 4.359 0.000 2 399 46 46 GLY HA3 H 3.979 0.000 2 400 46 46 GLY CA C 45.730 0.000 1 401 46 46 GLY N N 108.006 0.000 1 402 47 47 TYR H H 7.956 0.000 1 403 47 47 TYR HA H 3.902 0.000 1 404 47 47 TYR HB2 H 2.700 0.000 2 405 47 47 TYR HB3 H 2.090 0.000 2 406 47 47 TYR HD1 H 6.475 0.000 3 407 47 47 TYR HD2 H 6.475 0.000 3 408 47 47 TYR CA C 61.158 0.000 1 409 47 47 TYR CB C 41.169 0.000 1 410 47 47 TYR N N 121.963 0.000 1 411 48 48 TYR H H 7.757 0.000 1 412 48 48 TYR HA H 4.751 0.000 1 413 48 48 TYR HB2 H 3.123 0.000 2 414 48 48 TYR HB3 H 2.668 0.000 2 415 48 48 TYR HD1 H 6.569 0.000 3 416 48 48 TYR HD2 H 6.569 0.000 3 417 48 48 TYR CA C 55.945 0.000 1 418 48 48 TYR CB C 37.717 0.000 1 419 48 48 TYR N N 108.341 0.000 1 420 49 49 ASN H H 7.712 0.000 1 421 49 49 ASN HA H 4.064 0.000 1 422 49 49 ASN HB2 H 3.158 0.000 2 423 49 49 ASN HB3 H 2.885 0.000 2 424 49 49 ASN HD21 H 8.076 0.000 2 425 49 49 ASN HD22 H 7.868 0.000 2 426 49 49 ASN CA C 55.477 0.000 1 427 49 49 ASN CB C 35.492 0.000 1 428 49 49 ASN N N 124.731 0.000 1 429 49 49 ASN ND2 N 113.023 0.000 1 430 50 50 GLY H H 9.130 0.000 1 431 50 50 GLY HA2 H 4.198 0.000 2 432 50 50 GLY HA3 H 3.737 0.000 2 433 50 50 GLY CA C 46.032 0.000 1 434 50 50 GLY N N 114.337 0.000 1 435 51 51 THR H H 7.636 0.000 1 436 51 51 THR HA H 4.505 0.000 1 437 51 51 THR HB H 4.196 0.000 1 438 51 51 THR HG2 H 1.102 0.000 . 439 51 51 THR CA C 61.480 0.000 1 440 51 51 THR CB C 70.620 0.000 1 441 51 51 THR CG2 C 22.445 0.000 1 442 51 51 THR N N 109.808 0.000 1 443 52 52 LYS H H 9.240 0.000 1 444 52 52 LYS HA H 5.093 0.000 1 445 52 52 LYS HB2 H 1.825 0.000 2 446 52 52 LYS HB3 H 1.825 0.000 2 447 52 52 LYS HE2 H 2.850 0.000 2 448 52 52 LYS HE3 H 2.850 0.000 2 449 52 52 LYS HG2 H 1.399 0.000 2 450 52 52 LYS HG3 H 1.399 0.000 2 451 52 52 LYS CA C 54.887 0.000 1 452 52 52 LYS CB C 34.642 0.000 1 453 52 52 LYS CD C 28.589 0.000 1 454 52 52 LYS CE C 42.112 0.000 1 455 52 52 LYS CG C 24.645 0.000 1 456 52 52 LYS N N 117.492 0.000 1 457 53 53 PHE H H 8.213 0.000 1 458 53 53 PHE HA H 5.012 0.000 1 459 53 53 PHE HB2 H 2.707 0.000 2 460 53 53 PHE HB3 H 2.707 0.000 2 461 53 53 PHE HD1 H 6.875 0.000 3 462 53 53 PHE HD2 H 6.875 0.000 3 463 53 53 PHE CA C 58.662 0.000 1 464 53 53 PHE CB C 37.627 0.000 1 465 53 53 PHE N N 121.125 0.000 1 466 54 54 HIS H H 7.766 0.000 1 467 54 54 HIS HA H 4.499 0.000 1 468 54 54 HIS HB2 H 3.231 0.000 2 469 54 54 HIS HB3 H 2.671 0.000 2 470 54 54 HIS CA C 57.585 0.000 1 471 54 54 HIS CB C 31.713 0.000 1 472 54 54 HIS N N 121.438 0.000 1 473 55 55 ARG H H 6.883 0.000 1 474 55 55 ARG HA H 4.841 0.000 1 475 55 55 ARG HB2 H 1.520 0.000 2 476 55 55 ARG HB3 H 1.308 0.000 2 477 55 55 ARG HD2 H 3.044 0.000 2 478 55 55 ARG HD3 H 2.970 0.000 2 479 55 55 ARG HG2 H 1.123 0.000 2 480 55 55 ARG HG3 H 1.052 0.000 2 481 55 55 ARG CA C 55.406 0.000 1 482 55 55 ARG CB C 33.324 0.000 1 483 55 55 ARG CD C 43.402 0.000 1 484 55 55 ARG CG C 28.132 0.000 1 485 55 55 ARG N N 121.438 0.000 1 486 56 56 ILE H H 8.743 0.000 1 487 56 56 ILE HA H 4.437 0.000 1 488 56 56 ILE HB H 1.346 0.000 1 489 56 56 ILE HD1 H 0.739 0.000 . 490 56 56 ILE HG2 H 0.781 0.000 . 491 56 56 ILE CA C 61.295 0.000 1 492 56 56 ILE CB C 41.721 0.000 1 493 56 56 ILE CD1 C 15.336 0.000 1 494 56 56 ILE CG1 C 27.944 0.000 1 495 56 56 ILE CG2 C 16.328 0.000 1 496 56 56 ILE N N 126.571 0.000 1 497 57 57 ILE H H 8.595 0.000 1 498 57 57 ILE HA H 4.184 0.000 1 499 57 57 ILE HB H 1.646 0.000 1 500 57 57 ILE HD1 H 0.745 0.000 . 501 57 57 ILE HG12 H 1.306 0.000 2 502 57 57 ILE HG13 H 1.007 0.000 2 503 57 57 ILE HG2 H 1.043 0.000 . 504 57 57 ILE CA C 60.460 0.000 1 505 57 57 ILE CB C 41.277 0.000 1 506 57 57 ILE CD1 C 14.331 0.000 1 507 57 57 ILE CG1 C 25.697 0.000 1 508 57 57 ILE CG2 C 17.738 0.000 1 509 57 57 ILE N N 126.290 0.000 1 510 58 58 LYS H H 8.770 0.000 1 511 58 58 LYS HA H 3.812 0.000 1 512 58 58 LYS HB2 H 1.688 0.000 2 513 58 58 LYS HB3 H 1.688 0.000 2 514 58 58 LYS HD2 H 1.760 0.000 2 515 58 58 LYS HD3 H 1.760 0.000 2 516 58 58 LYS HE2 H 2.987 0.000 2 517 58 58 LYS HE3 H 2.947 0.000 2 518 58 58 LYS HG2 H 1.484 0.000 2 519 58 58 LYS HG3 H 1.343 0.000 2 520 58 58 LYS CA C 58.336 0.000 1 521 58 58 LYS CB C 32.150 0.000 1 522 58 58 LYS CD C 29.263 0.000 1 523 58 58 LYS CE C 42.144 0.000 1 524 58 58 LYS CG C 24.576 0.000 1 525 58 58 LYS N N 129.432 0.000 1 526 59 59 ASP H H 8.987 0.000 1 527 59 59 ASP HA H 4.010 0.000 1 528 59 59 ASP HB2 H 2.970 0.000 2 529 59 59 ASP HB3 H 2.866 0.000 2 530 59 59 ASP CA C 56.771 0.000 1 531 59 59 ASP CB C 39.338 0.000 1 532 59 59 ASP N N 117.555 0.000 1 533 60 60 PHE H H 8.180 0.000 1 534 60 60 PHE HA H 5.133 0.000 1 535 60 60 PHE HB2 H 2.990 0.000 2 536 60 60 PHE HB3 H 2.805 0.000 2 537 60 60 PHE HD1 H 7.154 0.000 3 538 60 60 PHE HD2 H 7.154 0.000 3 539 60 60 PHE CA C 57.305 0.000 1 540 60 60 PHE CB C 38.849 0.000 1 541 60 60 PHE N N 114.483 0.000 1 542 61 61 MET H H 8.188 0.000 1 543 61 61 MET HA H 5.060 0.000 1 544 61 61 MET HB2 H 1.976 0.000 2 545 61 61 MET HB3 H 1.976 0.000 2 546 61 61 MET HG2 H 1.151 0.000 2 547 61 61 MET HG3 H 1.027 0.000 2 548 61 61 MET CA C 55.753 0.000 1 549 61 61 MET CB C 34.910 0.000 1 550 61 61 MET CG C 27.743 0.000 1 551 61 61 MET N N 114.475 0.000 1 552 62 62 ILE H H 8.377 0.000 1 553 62 62 ILE HA H 4.477 0.000 1 554 62 62 ILE HB H 1.209 0.000 1 555 62 62 ILE HD1 H 0.296 0.000 . 556 62 62 ILE HG12 H 1.517 0.000 2 557 62 62 ILE HG13 H 0.831 0.000 2 558 62 62 ILE HG2 H 0.382 0.000 . 559 62 62 ILE CA C 60.351 0.000 1 560 62 62 ILE CB C 40.479 0.000 1 561 62 62 ILE CD1 C 14.320 0.000 1 562 62 62 ILE CG1 C 26.406 0.000 1 563 62 62 ILE CG2 C 17.930 0.000 1 564 62 62 ILE N N 115.610 0.000 1 565 63 63 GLN H H 9.008 0.000 1 566 63 63 GLN HA H 5.088 0.000 1 567 63 63 GLN HB2 H 1.996 0.000 2 568 63 63 GLN HB3 H 1.828 0.000 2 569 63 63 GLN HE21 H 7.252 0.000 2 570 63 63 GLN HE22 H 6.992 0.000 2 571 63 63 GLN HG2 H 2.339 0.000 2 572 63 63 GLN HG3 H 2.339 0.000 2 573 63 63 GLN CA C 54.618 0.000 1 574 63 63 GLN CB C 31.788 0.000 1 575 63 63 GLN CG C 33.827 0.000 1 576 63 63 GLN N N 125.857 0.000 1 577 63 63 GLN NE2 N 111.336 0.000 1 578 64 64 GLY H H 7.942 0.000 1 579 64 64 GLY HA2 H 4.485 0.000 2 580 64 64 GLY HA3 H 3.185 0.000 2 581 64 64 GLY CA C 44.879 0.000 1 582 64 64 GLY N N 109.788 0.000 1 583 65 65 GLY H H 9.653 0.000 1 584 65 65 GLY HA2 H 4.770 0.000 2 585 65 65 GLY HA3 H 3.893 0.000 2 586 65 65 GLY CA C 46.599 0.000 1 587 65 65 GLY N N 107.340 0.000 1 588 66 66 ASP H H 9.649 0.000 1 589 66 66 ASP HA H 5.095 0.000 1 590 66 66 ASP HB2 H 2.890 0.000 2 591 66 66 ASP HB3 H 2.890 0.000 2 592 66 66 ASP CA C 48.960 0.000 1 593 66 66 ASP CB C 41.960 0.000 1 594 66 66 ASP N N 121.483 0.000 1 595 67 67 PRO HA H 4.199 0.000 1 596 67 67 PRO HB2 H 1.949 0.000 2 597 67 67 PRO HB3 H 1.806 0.000 2 598 67 67 PRO HD2 H 3.474 0.000 2 599 67 67 PRO HD3 H 3.474 0.000 2 600 67 67 PRO HG2 H 1.743 0.000 2 601 67 67 PRO HG3 H 1.644 0.000 2 602 67 67 PRO CA C 65.071 0.000 1 603 67 67 PRO CB C 31.923 0.000 1 604 67 67 PRO CD C 51.090 0.000 1 605 67 67 PRO CG C 27.090 0.000 1 606 68 68 THR H H 8.632 0.000 1 607 68 68 THR HA H 4.350 0.000 1 608 68 68 THR HB H 4.350 0.000 1 609 68 68 THR HG2 H 1.302 0.000 . 610 68 68 THR CA C 62.906 0.000 1 611 68 68 THR CB C 70.762 0.000 1 612 68 68 THR CG2 C 21.841 0.000 1 613 68 68 THR N N 108.097 0.000 1 614 69 69 GLY H H 7.723 0.000 1 615 69 69 GLY HA2 H 4.078 0.000 2 616 69 69 GLY HA3 H 3.697 0.000 2 617 69 69 GLY CA C 46.237 0.000 1 618 69 69 GLY N N 108.021 0.000 1 619 70 70 THR H H 7.519 0.000 1 620 70 70 THR HA H 4.138 0.000 1 621 70 70 THR HB H 4.138 0.000 1 622 70 70 THR HG2 H 1.146 0.000 . 623 70 70 THR CA C 63.277 0.000 1 624 70 70 THR CB C 72.185 0.000 1 625 70 70 THR CG2 C 21.511 0.000 1 626 70 70 THR N N 108.562 0.000 1 627 71 71 GLY H H 8.735 0.000 1 628 71 71 GLY HA2 H 4.357 0.000 2 629 71 71 GLY HA3 H 2.976 0.000 2 630 71 71 GLY CA C 45.257 0.000 1 631 71 71 GLY N N 111.947 0.000 1 632 72 72 ARG H H 8.084 0.000 1 633 72 72 ARG HA H 4.567 0.000 1 634 72 72 ARG HB2 H 1.909 0.000 2 635 72 72 ARG HB3 H 1.555 0.000 2 636 72 72 ARG HD2 H 3.180 0.000 2 637 72 72 ARG HD3 H 3.095 0.000 2 638 72 72 ARG HG2 H 1.443 0.000 2 639 72 72 ARG HG3 H 1.443 0.000 2 640 72 72 ARG CA C 55.511 0.000 1 641 72 72 ARG CB C 31.246 0.000 1 642 72 72 ARG CD C 43.016 0.000 1 643 72 72 ARG CG C 27.456 0.000 1 644 72 72 ARG N N 119.938 0.000 1 645 73 73 GLY H H 8.662 0.000 1 646 73 73 GLY HA2 H 4.608 0.000 2 647 73 73 GLY HA3 H 3.790 0.000 2 648 73 73 GLY CA C 45.451 0.000 1 649 73 73 GLY N N 110.424 0.000 1 650 74 74 GLY H H 8.369 0.000 1 651 74 74 GLY HA2 H 5.121 0.000 2 652 74 74 GLY HA3 H 4.039 0.000 2 653 74 74 GLY CA C 44.601 0.000 1 654 74 74 GLY N N 106.957 0.000 1 655 75 75 ALA H H 7.942 0.000 1 656 75 75 ALA HA H 4.726 0.000 1 657 75 75 ALA HB H 1.373 0.000 . 658 75 75 ALA CA C 51.456 0.000 1 659 75 75 ALA CB C 22.537 0.000 1 660 75 75 ALA N N 123.865 0.000 1 661 76 76 SER H H 8.602 0.000 1 662 76 76 SER HA H 4.713 0.000 1 663 76 76 SER HB2 H 4.356 0.000 2 664 76 76 SER HB3 H 4.356 0.000 2 665 76 76 SER CA C 57.682 0.000 1 666 76 76 SER CB C 68.691 0.000 1 667 76 76 SER N N 115.021 0.000 1 668 77 77 ILE H H 8.856 0.000 1 669 77 77 ILE HA H 3.933 0.000 1 670 77 77 ILE HB H 1.597 0.000 1 671 77 77 ILE HD1 H 0.513 0.000 . 672 77 77 ILE HG12 H -0.311 0.000 . 673 77 77 ILE HG13 H -0.311 0.000 . 674 77 77 ILE HG2 H 0.687 0.000 . 675 77 77 ILE CA C 63.289 0.000 1 676 77 77 ILE CB C 38.220 0.000 1 677 77 77 ILE CD1 C 14.366 0.000 1 678 77 77 ILE CG1 C 21.643 0.000 1 679 77 77 ILE CG2 C 17.076 0.000 1 680 77 77 ILE N N 112.403 0.000 1 681 78 78 TYR H H 7.631 0.000 1 682 78 78 TYR HA H 4.347 0.000 1 683 78 78 TYR HB2 H 3.384 0.000 2 684 78 78 TYR HB3 H 2.581 0.000 2 685 78 78 TYR HD1 H 6.754 0.000 3 686 78 78 TYR HD2 H 6.754 0.000 3 687 78 78 TYR CA C 58.116 0.000 1 688 78 78 TYR CB C 38.218 0.000 1 689 78 78 TYR N N 118.390 0.000 1 690 79 79 GLY H H 7.350 0.000 1 691 79 79 GLY HA2 H 4.346 0.000 2 692 79 79 GLY HA3 H 3.661 0.000 2 693 79 79 GLY CA C 45.151 0.000 1 694 79 79 GLY N N 107.196 0.000 1 695 80 80 LYS H H 7.923 0.000 1 696 80 80 LYS HA H 4.383 0.000 1 697 80 80 LYS HB2 H 2.000 0.000 2 698 80 80 LYS HB3 H 1.861 0.000 2 699 80 80 LYS HD2 H 1.683 0.000 2 700 80 80 LYS HD3 H 1.683 0.000 2 701 80 80 LYS HE2 H 2.983 0.000 2 702 80 80 LYS HE3 H 2.983 0.000 2 703 80 80 LYS HG2 H 1.329 0.000 2 704 80 80 LYS HG3 H 1.329 0.000 2 705 80 80 LYS CA C 56.728 0.000 1 706 80 80 LYS CB C 33.412 0.000 1 707 80 80 LYS CD C 28.928 0.000 1 708 80 80 LYS CE C 42.061 0.000 1 709 80 80 LYS CG C 23.361 0.000 1 710 80 80 LYS N N 118.390 0.000 1 711 81 81 GLN H H 8.324 0.000 1 712 81 81 GLN HA H 5.185 0.000 1 713 81 81 GLN HB2 H 1.865 0.000 2 714 81 81 GLN HB3 H 1.865 0.000 2 715 81 81 GLN HE21 H 7.339 0.000 2 716 81 81 GLN HE22 H 6.787 0.000 2 717 81 81 GLN HG2 H 2.372 0.000 2 718 81 81 GLN HG3 H 2.188 0.000 2 719 81 81 GLN CA C 55.623 0.000 1 720 81 81 GLN CB C 29.652 0.000 1 721 81 81 GLN CG C 33.385 0.000 1 722 81 81 GLN N N 117.995 0.000 1 723 81 81 GLN NE2 N 110.452 0.000 1 724 82 82 PHE H H 8.755 0.000 1 725 82 82 PHE HA H 5.116 0.000 1 726 82 82 PHE HB2 H 3.040 0.000 2 727 82 82 PHE HB3 H 2.800 0.000 2 728 82 82 PHE HD1 H 7.362 0.000 3 729 82 82 PHE HD2 H 7.362 0.000 3 730 82 82 PHE CA C 55.795 0.000 1 731 82 82 PHE CB C 42.132 0.000 1 732 82 82 PHE N N 117.732 0.000 1 733 83 83 GLU H H 9.533 0.000 1 734 83 83 GLU HA H 3.932 0.000 1 735 83 83 GLU HB2 H 2.068 0.000 2 736 83 83 GLU HB3 H 2.068 0.000 2 737 83 83 GLU HG2 H 2.369 0.000 2 738 83 83 GLU HG3 H 2.369 0.000 2 739 83 83 GLU CA C 57.258 0.000 1 740 83 83 GLU CB C 29.737 0.000 1 741 83 83 GLU CG C 35.970 0.000 1 742 83 83 GLU N N 120.375 0.000 1 743 84 84 ASP H H 8.887 0.000 1 744 84 84 ASP HA H 4.167 0.000 1 745 84 84 ASP HB2 H 2.444 0.000 2 746 84 84 ASP HB3 H 2.444 0.000 2 747 84 84 ASP CA C 55.414 0.000 1 748 84 84 ASP CB C 41.697 0.000 1 749 84 84 ASP N N 117.912 0.000 1 750 85 85 GLU H H 8.018 0.000 1 751 85 85 GLU HA H 4.543 0.000 1 752 85 85 GLU HB2 H 2.297 0.000 2 753 85 85 GLU HB3 H 2.086 0.000 2 754 85 85 GLU HG2 H 2.189 0.000 2 755 85 85 GLU HG3 H 2.189 0.000 2 756 85 85 GLU CA C 54.700 0.000 1 757 85 85 GLU CB C 31.417 0.000 1 758 85 85 GLU CG C 37.416 0.000 1 759 85 85 GLU N N 123.912 0.000 1 760 86 86 LEU H H 8.383 0.000 1 761 86 86 LEU HA H 4.495 0.000 1 762 86 86 LEU HB2 H 1.815 0.000 2 763 86 86 LEU HB3 H 1.301 0.000 2 764 86 86 LEU HD1 H 0.809 0.000 . 765 86 86 LEU HD2 H 0.531 0.000 . 766 86 86 LEU HG H 1.523 0.000 1 767 86 86 LEU CA C 54.074 0.000 1 768 86 86 LEU CB C 39.984 0.000 1 769 86 86 LEU CD1 C 25.681 0.000 2 770 86 86 LEU CD2 C 22.321 0.000 2 771 86 86 LEU CG C 25.909 0.000 1 772 86 86 LEU N N 122.244 0.000 1 773 87 87 HIS H H 7.997 0.000 1 774 87 87 HIS HA H 4.772 0.000 1 775 87 87 HIS HB2 H 3.225 0.000 2 776 87 87 HIS HB3 H 3.097 0.000 2 777 87 87 HIS CA C 56.222 0.000 1 778 87 87 HIS CB C 33.502 0.000 1 779 87 87 HIS N N 126.648 0.000 1 780 88 88 PRO HA H 4.396 0.000 1 781 88 88 PRO HB2 H 2.293 0.000 2 782 88 88 PRO HB3 H 1.997 0.000 2 783 88 88 PRO HD2 H 3.538 0.000 2 784 88 88 PRO HD3 H 2.659 0.000 2 785 88 88 PRO HG2 H 1.875 0.000 2 786 88 88 PRO HG3 H 1.792 0.000 2 787 88 88 PRO CA C 64.472 0.000 1 788 88 88 PRO CB C 32.427 0.000 1 789 88 88 PRO CD C 51.113 0.000 1 790 88 88 PRO CG C 27.095 0.000 1 791 89 89 ASP H H 10.600 0.000 1 792 89 89 ASP HA H 4.866 0.000 1 793 89 89 ASP HB2 H 2.975 0.000 2 794 89 89 ASP HB3 H 2.892 0.000 2 795 89 89 ASP CA C 56.141 0.000 1 796 89 89 ASP CB C 41.154 0.000 1 797 89 89 ASP N N 119.233 0.000 1 798 90 90 LEU H H 7.672 0.000 1 799 90 90 LEU HA H 4.667 0.000 1 800 90 90 LEU HB2 H 2.327 0.000 2 801 90 90 LEU HB3 H 1.914 0.000 2 802 90 90 LEU HD1 H 0.473 0.000 . 803 90 90 LEU HD2 H 0.057 0.000 . 804 90 90 LEU HG H 1.240 0.000 1 805 90 90 LEU CA C 53.738 0.000 1 806 90 90 LEU CB C 42.193 0.000 1 807 90 90 LEU CD1 C 25.136 0.000 2 808 90 90 LEU CD2 C 21.860 0.000 2 809 90 90 LEU CG C 26.749 0.000 1 810 90 90 LEU N N 119.374 0.000 1 811 91 91 LYS H H 8.755 0.000 1 812 91 91 LYS HA H 4.267 0.000 1 813 91 91 LYS HB2 H 1.949 0.000 2 814 91 91 LYS HB3 H 1.949 0.000 2 815 91 91 LYS HD2 H 1.181 0.000 2 816 91 91 LYS HD3 H 0.493 0.000 2 817 91 91 LYS HE2 H 2.596 0.000 2 818 91 91 LYS HE3 H 2.436 0.000 2 819 91 91 LYS HG2 H 1.049 0.000 2 820 91 91 LYS HG3 H 0.887 0.000 2 821 91 91 LYS CA C 54.629 0.000 1 822 91 91 LYS CB C 37.417 0.000 1 823 91 91 LYS CD C 28.601 0.000 1 824 91 91 LYS CE C 42.260 0.000 1 825 91 91 LYS CG C 26.084 0.000 1 826 91 91 LYS N N 124.500 0.000 1 827 92 92 PHE H H 9.752 0.000 1 828 92 92 PHE HA H 4.345 0.000 1 829 92 92 PHE HB2 H 2.918 0.000 2 830 92 92 PHE HB3 H 2.546 0.000 2 831 92 92 PHE HD1 H 7.395 0.000 3 832 92 92 PHE HD2 H 7.395 0.000 3 833 92 92 PHE CA C 59.151 0.000 1 834 92 92 PHE CB C 37.491 0.000 1 835 92 92 PHE N N 119.891 0.000 1 836 93 93 THR H H 7.519 0.000 1 837 93 93 THR HA H 3.969 0.000 1 838 93 93 THR HB H 4.731 0.000 1 839 93 93 THR HG2 H 1.169 0.000 . 840 93 93 THR CA C 61.888 0.000 1 841 93 93 THR CB C 69.258 0.000 1 842 93 93 THR CG2 C 23.722 0.000 1 843 93 93 THR N N 112.294 0.000 1 844 94 94 GLY H H 7.012 0.000 1 845 94 94 GLY HA2 H 4.028 0.000 2 846 94 94 GLY HA3 H 3.434 0.000 2 847 94 94 GLY CA C 45.280 0.000 1 848 94 94 GLY N N 103.965 0.000 1 849 95 95 ALA H H 8.740 0.000 1 850 95 95 ALA HA H 3.543 0.000 1 851 95 95 ALA HB H 1.153 0.000 . 852 95 95 ALA CA C 52.838 0.000 1 853 95 95 ALA CB C 20.556 0.000 1 854 95 95 ALA N N 118.933 0.000 1 855 96 96 GLY H H 8.972 0.000 1 856 96 96 GLY HA2 H 3.909 0.000 2 857 96 96 GLY HA3 H 3.057 0.000 2 858 96 96 GLY CA C 45.092 0.000 1 859 96 96 GLY N N 105.406 0.000 1 860 97 97 ILE H H 7.857 0.000 1 861 97 97 ILE HA H 3.802 0.000 1 862 97 97 ILE HB H 1.879 0.000 1 863 97 97 ILE HD1 H 0.973 0.000 . 864 97 97 ILE HG12 H 1.459 0.000 2 865 97 97 ILE HG13 H 0.695 0.000 2 866 97 97 ILE HG2 H 0.607 0.000 . 867 97 97 ILE CA C 62.240 0.000 1 868 97 97 ILE CB C 37.625 0.000 1 869 97 97 ILE CD1 C 15.270 0.000 1 870 97 97 ILE CG2 C 19.506 0.000 1 871 97 97 ILE N N 122.255 0.000 1 872 98 98 LEU H H 7.357 0.000 1 873 98 98 LEU HA H 4.630 0.000 1 874 98 98 LEU HB2 H 0.596 0.000 2 875 98 98 LEU HB3 H 0.596 0.000 2 876 98 98 LEU HD1 H 0.136 0.000 . 877 98 98 LEU HD2 H -0.648 0.000 . 878 98 98 LEU HG H -0.494 0.000 1 879 98 98 LEU CA C 53.226 0.000 1 880 98 98 LEU CB C 44.431 0.000 1 881 98 98 LEU CD1 C 22.771 0.000 2 882 98 98 LEU CD2 C 25.583 0.000 2 883 98 98 LEU CG C 27.092 0.000 1 884 98 98 LEU N N 128.981 0.000 1 885 99 99 ALA H H 8.410 0.000 1 886 99 99 ALA HA H 5.264 0.000 1 887 99 99 ALA HB H 0.571 0.000 . 888 99 99 ALA CA C 49.846 0.000 1 889 99 99 ALA CB C 24.691 0.000 1 890 99 99 ALA N N 128.056 0.000 1 891 100 100 MET H H 8.052 0.000 1 892 100 100 MET HA H 5.296 0.000 1 893 100 100 MET HB2 H 2.236 0.000 2 894 100 100 MET HB3 H 2.236 0.000 2 895 100 100 MET HE H 2.092 0.000 . 896 100 100 MET CA C 53.062 0.000 1 897 100 100 MET CB C 31.099 0.000 1 898 100 100 MET CE C 16.425 0.000 1 899 100 100 MET N N 116.118 0.000 1 900 101 101 ALA H H 7.983 0.000 1 901 101 101 ALA HA H 4.534 0.000 1 902 101 101 ALA HB H 1.341 0.000 . 903 101 101 ALA CA C 51.590 0.000 1 904 101 101 ALA CB C 20.115 0.000 1 905 101 101 ALA N N 125.283 0.000 1 906 102 102 ASN H H 8.560 0.000 1 907 102 102 ASN HA H 4.560 0.000 1 908 102 102 ASN HB2 H 3.276 0.000 2 909 102 102 ASN HB3 H 2.894 0.000 2 910 102 102 ASN HD21 H 8.219 0.000 2 911 102 102 ASN HD22 H 6.577 0.000 2 912 102 102 ASN CA C 54.160 0.000 1 913 102 102 ASN CB C 40.502 0.000 1 914 102 102 ASN N N 114.164 0.000 1 915 102 102 ASN ND2 N 119.543 0.000 1 916 103 103 ALA H H 8.709 0.000 1 917 103 103 ALA HA H 4.755 0.000 1 918 103 103 ALA HB H 1.308 0.000 . 919 103 103 ALA CA C 50.541 0.000 1 920 103 103 ALA CB C 19.416 0.000 1 921 103 103 ALA N N 123.350 0.000 1 922 104 104 GLY H H 8.005 0.000 1 923 104 104 GLY HA2 H 4.609 0.000 2 924 104 104 GLY HA3 H 3.683 0.000 2 925 104 104 GLY CA C 43.555 0.000 1 926 104 104 GLY N N 109.460 0.000 1 927 105 105 PRO HA H 4.275 0.000 1 928 105 105 PRO HB2 H 2.203 0.000 2 929 105 105 PRO HB3 H 1.729 0.000 2 930 105 105 PRO HD2 H 3.506 0.000 2 931 105 105 PRO HD3 H 3.506 0.000 2 932 105 105 PRO HG2 H 2.049 0.000 2 933 105 105 PRO HG3 H 1.910 0.000 2 934 105 105 PRO CA C 64.128 0.000 1 935 105 105 PRO CB C 31.780 0.000 1 936 105 105 PRO CD C 42.971 0.000 1 937 105 105 PRO CG C 27.067 0.000 1 938 106 106 ASP H H 8.475 0.000 1 939 106 106 ASP HA H 3.956 0.000 1 940 106 106 ASP HB2 H 2.831 0.000 2 941 106 106 ASP HB3 H 2.567 0.000 2 942 106 106 ASP CA C 55.781 0.000 1 943 106 106 ASP CB C 39.047 0.000 1 944 106 106 ASP N N 120.451 0.000 1 945 107 107 THR H H 9.547 0.000 1 946 107 107 THR HA H 4.437 0.000 1 947 107 107 THR HB H 4.371 0.000 1 948 107 107 THR HG2 H 0.857 0.000 . 949 107 107 THR CA C 60.041 0.000 1 950 107 107 THR CB C 68.969 0.000 1 951 107 107 THR CG2 C 20.716 0.000 1 952 107 107 THR N N 109.317 0.000 1 953 108 108 ASN H H 7.266 0.000 1 954 108 108 ASN HA H 4.132 0.000 1 955 108 108 ASN HB2 H 1.450 0.000 2 956 108 108 ASN HB3 H 0.753 0.000 2 957 108 108 ASN HD21 H 7.337 0.000 2 958 108 108 ASN HD22 H 6.413 0.000 2 959 108 108 ASN CA C 56.250 0.000 1 960 108 108 ASN CB C 39.482 0.000 1 961 108 108 ASN N N 120.446 0.000 1 962 108 108 ASN ND2 N 113.604 0.000 1 963 109 109 GLY H H 8.966 0.000 1 964 109 109 GLY HA2 H 4.636 0.000 2 965 109 109 GLY HA3 H 3.620 0.000 2 966 109 109 GLY CA C 45.804 0.000 1 967 109 109 GLY N N 110.957 0.000 1 968 110 110 SER H H 9.057 0.000 1 969 110 110 SER HA H 4.680 0.000 1 970 110 110 SER HB2 H 3.819 0.000 2 971 110 110 SER HB3 H 3.632 0.000 2 972 110 110 SER CA C 58.327 0.000 1 973 110 110 SER CB C 63.078 0.000 1 974 110 110 SER N N 118.998 0.000 1 975 111 111 GLN H H 8.324 0.000 1 976 111 111 GLN HA H 5.120 0.000 1 977 111 111 GLN HB2 H 2.704 0.000 2 978 111 111 GLN HB3 H 2.386 0.000 2 979 111 111 GLN HE21 H 7.803 0.000 2 980 111 111 GLN HE22 H 6.027 0.000 2 981 111 111 GLN HG2 H 2.094 0.000 2 982 111 111 GLN HG3 H 2.094 0.000 2 983 111 111 GLN CA C 58.205 0.000 1 984 111 111 GLN CB C 32.167 0.000 1 985 111 111 GLN CG C 35.599 0.000 1 986 111 111 GLN N N 124.352 0.000 1 987 111 111 GLN NE2 N 111.916 0.000 1 988 112 112 PHE H H 8.155 0.000 1 989 112 112 PHE HA H 5.790 0.000 1 990 112 112 PHE HB2 H 3.066 0.000 2 991 112 112 PHE HB3 H 3.066 0.000 2 992 112 112 PHE HD1 H 7.170 0.000 3 993 112 112 PHE HD2 H 7.170 0.000 3 994 112 112 PHE CA C 55.475 0.000 1 995 112 112 PHE CB C 42.925 0.000 1 996 112 112 PHE N N 117.844 0.000 1 997 113 113 PHE H H 9.577 0.000 1 998 113 113 PHE HA H 5.789 0.000 1 999 113 113 PHE HB2 H 2.839 0.000 2 1000 113 113 PHE HB3 H 2.549 0.000 2 1001 113 113 PHE HD1 H 6.487 0.000 3 1002 113 113 PHE HD2 H 6.487 0.000 3 1003 113 113 PHE CA C 55.672 0.000 1 1004 113 113 PHE CB C 44.079 0.000 1 1005 113 113 PHE N N 115.545 0.000 1 1006 114 114 VAL H H 8.741 0.000 1 1007 114 114 VAL HA H 5.239 0.000 1 1008 114 114 VAL HB H 1.599 0.000 1 1009 114 114 VAL HG1 H 0.698 0.000 . 1010 114 114 VAL HG2 H 0.698 0.000 . 1011 114 114 VAL CA C 59.463 0.000 1 1012 114 114 VAL CB C 34.569 0.000 1 1013 114 114 VAL CG1 C 21.701 0.000 2 1014 114 114 VAL CG2 C 20.657 0.000 2 1015 114 114 VAL N N 117.314 0.000 1 1016 115 115 THR H H 8.808 0.000 1 1017 115 115 THR HA H 4.707 0.000 1 1018 115 115 THR HB H 4.585 0.000 1 1019 115 115 THR HG1 H 5.137 0.000 1 1020 115 115 THR HG2 H 1.459 0.000 . 1021 115 115 THR CA C 62.825 0.000 1 1022 115 115 THR CB C 71.793 0.000 1 1023 115 115 THR CG2 C 24.600 0.000 1 1024 115 115 THR N N 116.366 0.000 1 1025 116 116 LEU H H 7.911 0.000 1 1026 116 116 LEU HA H 4.550 0.000 1 1027 116 116 LEU HB2 H 1.865 0.000 2 1028 116 116 LEU HB3 H 1.865 0.000 2 1029 116 116 LEU HD1 H 0.915 0.000 . 1030 116 116 LEU HD2 H 0.676 0.000 . 1031 116 116 LEU HG H 1.176 0.000 1 1032 116 116 LEU CA C 54.041 0.000 1 1033 116 116 LEU CB C 42.223 0.000 1 1034 116 116 LEU CD1 C 25.893 0.000 2 1035 116 116 LEU CD2 C 23.626 0.000 2 1036 116 116 LEU CG C 26.856 0.000 1 1037 116 116 LEU N N 118.155 0.000 1 1038 117 117 ALA H H 7.730 0.000 1 1039 117 117 ALA HA H 4.581 0.000 1 1040 117 117 ALA HB H 1.383 0.000 . 1041 117 117 ALA CA C 50.795 0.000 1 1042 117 117 ALA CB C 19.324 0.000 1 1043 117 117 ALA N N 120.401 0.000 1 1044 118 118 PRO HA H 4.062 0.000 1 1045 118 118 PRO HB2 H 2.049 0.000 2 1046 118 118 PRO HB3 H 2.049 0.000 2 1047 118 118 PRO CA C 64.235 0.000 1 1048 118 118 PRO CB C 30.880 0.000 1 1049 118 118 PRO CD C 51.420 0.000 1 1050 118 118 PRO CG C 28.336 0.000 1 1051 119 119 THR H H 7.409 0.000 1 1052 119 119 THR HA H 3.630 0.000 1 1053 119 119 THR HB H 2.727 0.000 1 1054 119 119 THR HG2 H 0.901 0.000 . 1055 119 119 THR CA C 57.645 0.000 1 1056 119 119 THR CB C 70.437 0.000 1 1057 119 119 THR CG2 C 19.571 0.000 1 1058 119 119 THR N N 116.286 0.000 1 1059 120 120 GLN H H 9.345 0.000 1 1060 120 120 GLN HA H 4.101 0.000 1 1061 120 120 GLN HB2 H 2.280 0.000 2 1062 120 120 GLN HB3 H 2.110 0.000 2 1063 120 120 GLN HE21 H 8.074 0.000 2 1064 120 120 GLN HE22 H 6.846 0.000 2 1065 120 120 GLN HG2 H 2.502 0.000 2 1066 120 120 GLN HG3 H 2.502 0.000 2 1067 120 120 GLN CA C 59.916 0.000 1 1068 120 120 GLN CB C 28.563 0.000 1 1069 120 120 GLN CG C 35.003 0.000 1 1070 120 120 GLN N N 123.889 0.000 1 1071 120 120 GLN NE2 N 111.383 0.000 1 1072 121 121 TRP H H 7.232 0.000 1 1073 121 121 TRP HA H 4.626 0.000 1 1074 121 121 TRP HB2 H 3.344 0.000 2 1075 121 121 TRP HB3 H 3.236 0.000 2 1076 121 121 TRP HD1 H 6.998 0.000 1 1077 121 121 TRP HE1 H 9.518 0.000 1 1078 121 121 TRP HZ2 H 6.512 0.000 1 1079 121 121 TRP CA C 60.064 0.000 1 1080 121 121 TRP CB C 26.613 0.000 1 1081 121 121 TRP N N 116.660 0.000 1 1082 121 121 TRP NE1 N 129.945 0.000 1 1083 122 122 LEU H H 7.348 0.000 1 1084 122 122 LEU HA H 4.266 0.000 1 1085 122 122 LEU HB2 H 1.203 0.000 2 1086 122 122 LEU HB3 H 1.203 0.000 2 1087 122 122 LEU HD1 H 0.101 0.000 . 1088 122 122 LEU HD2 H 0.821 0.000 . 1089 122 122 LEU HG H 0.392 0.000 1 1090 122 122 LEU CA C 54.533 0.000 1 1091 122 122 LEU CB C 42.303 0.000 1 1092 122 122 LEU CD1 C 24.592 0.000 2 1093 122 122 LEU CD2 C 22.261 0.000 2 1094 122 122 LEU N N 120.315 0.000 1 1095 123 123 ASP H H 7.680 0.000 1 1096 123 123 ASP HA H 4.723 0.000 1 1097 123 123 ASP HB2 H 2.837 0.000 2 1098 123 123 ASP HB3 H 2.633 0.000 2 1099 123 123 ASP CA C 57.454 0.000 1 1100 123 123 ASP CB C 40.117 0.000 1 1101 123 123 ASP N N 121.504 0.000 1 1102 124 124 GLY H H 9.506 0.000 1 1103 124 124 GLY HA2 H 4.268 0.000 2 1104 124 124 GLY HA3 H 3.768 0.000 2 1105 124 124 GLY CA C 45.907 0.000 1 1106 124 124 GLY N N 112.197 0.000 1 1107 125 125 LYS H H 8.362 0.000 1 1108 125 125 LYS HA H 4.411 0.000 1 1109 125 125 LYS HB2 H 1.874 0.000 2 1110 125 125 LYS HB3 H 1.874 0.000 2 1111 125 125 LYS HD2 H 1.668 0.000 2 1112 125 125 LYS HD3 H 1.668 0.000 2 1113 125 125 LYS HE2 H 3.028 0.000 2 1114 125 125 LYS HE3 H 3.028 0.000 2 1115 125 125 LYS HG2 H 1.368 0.000 2 1116 125 125 LYS HG3 H 1.272 0.000 2 1117 125 125 LYS CA C 56.346 0.000 1 1118 125 125 LYS CB C 34.603 0.000 1 1119 125 125 LYS CD C 28.979 0.000 1 1120 125 125 LYS CE C 42.668 0.000 1 1121 125 125 LYS CG C 25.371 0.000 1 1122 125 125 LYS N N 115.621 0.000 1 1123 126 126 HIS H H 6.995 0.000 1 1124 126 126 HIS HA H 4.617 0.000 1 1125 126 126 HIS HB2 H 3.596 0.000 2 1126 126 126 HIS HB3 H 2.940 0.000 2 1127 126 126 HIS CA C 53.960 0.000 1 1128 126 126 HIS CB C 33.851 0.000 1 1129 126 126 HIS N N 114.598 0.000 1 1130 127 127 THR H H 9.530 0.000 1 1131 127 127 THR HA H 3.924 0.000 1 1132 127 127 THR HB H 3.924 0.000 1 1133 127 127 THR HG2 H 1.416 0.000 . 1134 127 127 THR CA C 64.446 0.000 1 1135 127 127 THR CB C 70.264 0.000 1 1136 127 127 THR CG2 C 23.390 0.000 1 1137 127 127 THR N N 121.401 0.000 1 1138 128 128 ILE H H 8.768 0.000 1 1139 128 128 ILE HA H 4.009 0.000 1 1140 128 128 ILE HB H 1.307 0.000 1 1141 128 128 ILE HD1 H -0.364 0.000 . 1142 128 128 ILE HG12 H 1.228 0.000 . 1143 128 128 ILE HG13 H 1.228 0.000 . 1144 128 128 ILE HG2 H 0.434 0.000 . 1145 128 128 ILE CA C 61.832 0.000 1 1146 128 128 ILE CB C 38.309 0.000 1 1147 128 128 ILE CD1 C 11.904 0.000 1 1148 128 128 ILE CG1 C 29.434 0.000 1 1149 128 128 ILE CG2 C 18.144 0.000 1 1150 128 128 ILE N N 132.097 0.000 1 1151 129 129 PHE H H 8.367 0.000 1 1152 129 129 PHE HA H 4.866 0.000 1 1153 129 129 PHE HB2 H 3.471 0.000 2 1154 129 129 PHE HB3 H 2.236 0.000 2 1155 129 129 PHE CA C 55.345 0.000 1 1156 129 129 PHE CB C 39.211 0.000 1 1157 129 129 PHE N N 119.645 0.000 1 1158 130 130 GLY H H 6.948 0.000 1 1159 130 130 GLY HA2 H 3.984 0.000 2 1160 130 130 GLY HA3 H 3.584 0.000 2 1161 130 130 GLY CA C 45.435 0.000 1 1162 130 130 GLY N N 106.709 0.000 1 1163 131 131 ARG H H 8.285 0.000 1 1164 131 131 ARG HA H 4.969 0.000 1 1165 131 131 ARG HB2 H 1.426 0.000 2 1166 131 131 ARG HB3 H 1.426 0.000 2 1167 131 131 ARG HG2 H 0.925 0.000 2 1168 131 131 ARG HG3 H 0.925 0.000 2 1169 131 131 ARG CA C 54.414 0.000 1 1170 131 131 ARG CB C 33.736 0.000 1 1171 131 131 ARG N N 112.973 0.000 1 1172 132 132 VAL H H 9.142 0.000 1 1173 132 132 VAL HA H 4.100 0.000 1 1174 132 132 VAL HB H 1.643 0.000 1 1175 132 132 VAL HG1 H 0.704 0.000 . 1176 132 132 VAL HG2 H 0.704 0.000 . 1177 132 132 VAL CA C 62.780 0.000 1 1178 132 132 VAL CB C 33.532 0.000 1 1179 132 132 VAL CG1 C 22.606 0.000 2 1180 132 132 VAL CG2 C 21.803 0.000 2 1181 132 132 VAL N N 122.479 0.000 1 1182 133 133 CYS H H 9.391 0.000 1 1183 133 133 CYS HA H 5.011 0.000 1 1184 133 133 CYS HB2 H 3.278 0.000 2 1185 133 133 CYS HB3 H 2.486 0.000 2 1186 133 133 CYS CA C 56.416 0.000 1 1187 133 133 CYS CB C 29.728 0.000 1 1188 133 133 CYS N N 125.237 0.000 1 1189 134 134 GLN H H 7.720 0.000 1 1190 134 134 GLN HA H 4.355 0.000 1 1191 134 134 GLN HB2 H 1.865 0.000 2 1192 134 134 GLN HB3 H 1.865 0.000 2 1193 134 134 GLN HE21 H 7.553 0.000 2 1194 134 134 GLN HE22 H 6.834 0.000 2 1195 134 134 GLN HG2 H 2.428 0.000 2 1196 134 134 GLN HG3 H 2.428 0.000 2 1197 134 134 GLN CA C 56.804 0.000 1 1198 134 134 GLN CB C 31.782 0.000 1 1199 134 134 GLN CG C 34.184 0.000 1 1200 134 134 GLN N N 123.693 0.000 1 1201 134 134 GLN NE2 N 111.260 0.000 1 1202 135 135 GLY H H 8.980 0.000 1 1203 135 135 GLY HA2 H 4.671 0.000 2 1204 135 135 GLY HA3 H 4.180 0.000 2 1205 135 135 GLY CA C 46.011 0.000 1 1206 135 135 GLY N N 112.429 0.000 1 1207 136 136 ILE H H 8.305 0.000 1 1208 136 136 ILE HA H 3.922 0.000 1 1209 136 136 ILE HB H 1.066 0.000 1 1210 136 136 ILE HD1 H 0.554 0.000 . 1211 136 136 ILE HG12 H 1.338 0.000 . 1212 136 136 ILE HG13 H 1.338 0.000 . 1213 136 136 ILE HG2 H 0.754 0.000 . 1214 136 136 ILE CA C 60.772 0.000 1 1215 136 136 ILE CB C 38.876 0.000 1 1216 136 136 ILE CD1 C 13.648 0.000 1 1217 136 136 ILE CG2 C 19.305 0.000 1 1218 136 136 ILE N N 123.131 0.000 1 1219 137 137 GLY H H 9.004 0.000 1 1220 137 137 GLY HA2 H 3.841 0.000 2 1221 137 137 GLY HA3 H 3.704 0.000 2 1222 137 137 GLY CA C 46.778 0.000 1 1223 137 137 GLY N N 110.451 0.000 1 1224 138 138 MET H H 7.508 0.000 1 1225 138 138 MET HA H 4.298 0.000 1 1226 138 138 MET HB2 H 2.341 0.000 2 1227 138 138 MET HB3 H 1.777 0.000 2 1228 138 138 MET HE H 2.066 0.000 . 1229 138 138 MET HG2 H 2.786 0.000 2 1230 138 138 MET HG3 H 2.564 0.000 2 1231 138 138 MET CA C 57.889 0.000 1 1232 138 138 MET CB C 31.070 0.000 1 1233 138 138 MET CE C 18.727 0.000 1 1234 138 138 MET CG C 33.481 0.000 1 1235 138 138 MET N N 122.118 0.000 1 1236 139 139 VAL H H 7.627 0.000 1 1237 139 139 VAL HA H 3.045 0.000 1 1238 139 139 VAL HB H 2.338 0.000 1 1239 139 139 VAL HG1 H 0.923 0.000 . 1240 139 139 VAL HG2 H 0.640 0.000 . 1241 139 139 VAL CA C 66.979 0.000 1 1242 139 139 VAL CB C 31.215 0.000 1 1243 139 139 VAL CG1 C 24.376 0.000 2 1244 139 139 VAL CG2 C 22.172 0.000 2 1245 139 139 VAL N N 119.917 0.000 1 1246 140 140 ASN H H 7.991 0.000 1 1247 140 140 ASN HA H 4.372 0.000 1 1248 140 140 ASN HB2 H 3.223 0.000 2 1249 140 140 ASN HB3 H 2.868 0.000 2 1250 140 140 ASN HD21 H 7.471 0.000 2 1251 140 140 ASN HD22 H 6.872 0.000 2 1252 140 140 ASN CA C 56.355 0.000 1 1253 140 140 ASN CB C 38.696 0.000 1 1254 140 140 ASN N N 115.260 0.000 1 1255 140 140 ASN ND2 N 111.895 0.000 1 1256 141 141 ARG H H 7.325 0.000 1 1257 141 141 ARG HA H 3.890 0.000 1 1258 141 141 ARG HB2 H 1.987 0.000 2 1259 141 141 ARG HB3 H 1.870 0.000 2 1260 141 141 ARG HD2 H 3.214 0.000 2 1261 141 141 ARG HD3 H 3.214 0.000 2 1262 141 141 ARG HG2 H 1.921 0.000 2 1263 141 141 ARG HG3 H 1.643 0.000 2 1264 141 141 ARG CA C 59.899 0.000 1 1265 141 141 ARG CB C 30.021 0.000 1 1266 141 141 ARG CD C 43.734 0.000 1 1267 141 141 ARG CG C 27.873 0.000 1 1268 141 141 ARG N N 115.829 0.000 1 1269 142 142 VAL H H 8.323 0.000 1 1270 142 142 VAL HA H 3.508 0.000 1 1271 142 142 VAL HB H 1.952 0.000 1 1272 142 142 VAL HG1 H 0.897 0.000 . 1273 142 142 VAL HG2 H 0.566 0.000 . 1274 142 142 VAL CA C 66.760 0.000 1 1275 142 142 VAL CB C 31.357 0.000 1 1276 142 142 VAL CG1 C 22.814 0.000 2 1277 142 142 VAL CG2 C 23.576 0.000 2 1278 142 142 VAL N N 122.180 0.000 1 1279 143 143 GLY H H 8.132 0.000 1 1280 143 143 GLY HA2 H 3.674 0.000 2 1281 143 143 GLY HA3 H 3.566 0.000 2 1282 143 143 GLY CA C 46.793 0.000 1 1283 143 143 GLY N N 101.928 0.000 1 1284 144 144 MET H H 7.174 0.000 1 1285 144 144 MET HA H 4.532 0.000 1 1286 144 144 MET HB2 H 2.299 0.000 2 1287 144 144 MET HB3 H 1.939 0.000 2 1288 144 144 MET HE H 2.017 0.000 . 1289 144 144 MET HG2 H 2.756 0.000 2 1290 144 144 MET HG3 H 2.511 0.000 2 1291 144 144 MET CA C 55.203 0.000 1 1292 144 144 MET CB C 33.710 0.000 1 1293 144 144 MET CE C 16.469 0.000 1 1294 144 144 MET CG C 32.002 0.000 1 1295 144 144 MET N N 116.613 0.000 1 1296 145 145 VAL H H 7.256 0.000 1 1297 145 145 VAL HA H 4.085 0.000 1 1298 145 145 VAL HB H 2.396 0.000 1 1299 145 145 VAL HG1 H 1.162 0.000 . 1300 145 145 VAL HG2 H 0.987 0.000 . 1301 145 145 VAL CA C 62.684 0.000 1 1302 145 145 VAL CB C 33.063 0.000 1 1303 145 145 VAL CG1 C 21.655 0.000 2 1304 145 145 VAL CG2 C 18.664 0.000 2 1305 145 145 VAL N N 116.074 0.000 1 1306 146 146 GLU H H 8.385 0.000 1 1307 146 146 GLU HA H 4.258 0.000 1 1308 146 146 GLU HB2 H 1.948 0.000 2 1309 146 146 GLU HB3 H 1.948 0.000 2 1310 146 146 GLU HG2 H 2.398 0.000 2 1311 146 146 GLU HG3 H 2.199 0.000 2 1312 146 146 GLU CA C 57.523 0.000 1 1313 146 146 GLU CB C 29.545 0.000 1 1314 146 146 GLU CG C 36.234 0.000 1 1315 146 146 GLU N N 120.888 0.000 1 1316 147 147 THR H H 8.598 0.000 1 1317 147 147 THR HA H 5.040 0.000 1 1318 147 147 THR HB H 3.929 0.000 1 1319 147 147 THR HG2 H 0.996 0.000 . 1320 147 147 THR CA C 59.407 0.000 1 1321 147 147 THR CB C 72.536 0.000 1 1322 147 147 THR CG2 C 21.596 0.000 1 1323 147 147 THR N N 116.140 0.000 1 1324 148 148 ASN H H 8.491 0.000 1 1325 148 148 ASN HA H 4.878 0.000 1 1326 148 148 ASN HB2 H 3.639 0.000 2 1327 148 148 ASN HB3 H 2.820 0.000 2 1328 148 148 ASN HD21 H 7.856 0.000 2 1329 148 148 ASN HD22 H 6.792 0.000 2 1330 148 148 ASN CA C 50.464 0.000 1 1331 148 148 ASN CB C 39.078 0.000 1 1332 148 148 ASN N N 118.684 0.000 1 1333 148 148 ASN ND2 N 111.966 0.000 1 1334 149 149 SER HA H 4.270 0.000 1 1335 149 149 SER HB2 H 3.986 0.000 2 1336 149 149 SER HB3 H 3.986 0.000 2 1337 149 149 SER CA C 61.263 0.000 1 1338 149 149 SER CB C 62.906 0.000 1 1339 150 150 GLN H H 7.759 0.000 1 1340 150 150 GLN HA H 4.487 0.000 1 1341 150 150 GLN HB2 H 2.443 0.000 2 1342 150 150 GLN HB3 H 1.938 0.000 2 1343 150 150 GLN HE21 H 7.534 0.000 2 1344 150 150 GLN HE22 H 6.833 0.000 2 1345 150 150 GLN HG2 H 2.311 0.000 2 1346 150 150 GLN HG3 H 2.311 0.000 2 1347 150 150 GLN CA C 55.739 0.000 1 1348 150 150 GLN CB C 28.400 0.000 1 1349 150 150 GLN CG C 34.399 0.000 1 1350 150 150 GLN N N 119.988 0.000 1 1351 150 150 GLN NE2 N 112.761 0.000 1 1352 151 151 ASP H H 8.368 0.000 1 1353 151 151 ASP HA H 4.335 0.000 1 1354 151 151 ASP HB2 H 3.009 0.000 2 1355 151 151 ASP HB3 H 3.009 0.000 2 1356 151 151 ASP CA C 56.765 0.000 1 1357 151 151 ASP CB C 39.239 0.000 1 1358 151 151 ASP N N 113.447 0.000 1 1359 152 152 ARG H H 7.688 0.000 1 1360 152 152 ARG HA H 4.926 0.000 1 1361 152 152 ARG HD2 H 3.299 0.000 2 1362 152 152 ARG HD3 H 3.299 0.000 2 1363 152 152 ARG HG2 H 1.728 0.000 2 1364 152 152 ARG HG3 H 1.728 0.000 2 1365 152 152 ARG CA C 52.744 0.000 1 1366 152 152 ARG CB C 31.400 0.000 1 1367 152 152 ARG CD C 43.553 0.000 1 1368 152 152 ARG N N 118.593 0.000 1 1369 153 153 PRO HA H 4.573 0.000 1 1370 153 153 PRO HB2 H 2.277 0.000 2 1371 153 153 PRO HB3 H 2.277 0.000 2 1372 153 153 PRO HD2 H 3.709 0.000 2 1373 153 153 PRO HD3 H 3.709 0.000 2 1374 153 153 PRO CA C 63.360 0.000 1 1375 153 153 PRO CB C 31.723 0.000 1 1376 153 153 PRO CD C 51.083 0.000 1 1377 154 154 VAL H H 8.186 0.000 1 1378 154 154 VAL HA H 3.603 0.000 1 1379 154 154 VAL HB H 1.908 0.000 1 1380 154 154 VAL HG1 H 0.867 0.000 . 1381 154 154 VAL HG2 H 0.825 0.000 . 1382 154 154 VAL CA C 65.808 0.000 1 1383 154 154 VAL CB C 31.500 0.000 1 1384 154 154 VAL CG1 C 21.380 0.000 2 1385 154 154 VAL CG2 C 21.448 0.000 2 1386 154 154 VAL N N 125.636 0.000 1 1387 155 155 ASP H H 8.161 0.000 1 1388 155 155 ASP HA H 4.873 0.000 1 1389 155 155 ASP HB2 H 2.552 0.000 2 1390 155 155 ASP HB3 H 2.439 0.000 2 1391 155 155 ASP CA C 52.749 0.000 1 1392 155 155 ASP CB C 42.197 0.000 1 1393 155 155 ASP N N 119.846 0.000 1 1394 156 156 ASP H H 8.380 0.000 1 1395 156 156 ASP HA H 4.324 0.000 1 1396 156 156 ASP HB2 H 2.550 0.000 2 1397 156 156 ASP HB3 H 2.171 0.000 2 1398 156 156 ASP CA C 55.548 0.000 1 1399 156 156 ASP CB C 41.156 0.000 1 1400 156 156 ASP N N 120.180 0.000 1 1401 157 157 VAL H H 9.410 0.000 1 1402 157 157 VAL HA H 4.052 0.000 1 1403 157 157 VAL HB H 2.202 0.000 1 1404 157 157 VAL HG1 H 1.126 0.000 . 1405 157 157 VAL HG2 H 1.054 0.000 . 1406 157 157 VAL CA C 62.647 0.000 1 1407 157 157 VAL CB C 32.739 0.000 1 1408 157 157 VAL CG1 C 21.955 0.000 2 1409 157 157 VAL CG2 C 21.421 0.000 2 1410 157 157 VAL N N 124.845 0.000 1 1411 158 158 LYS H H 8.173 0.000 1 1412 158 158 LYS HA H 4.872 0.000 1 1413 158 158 LYS HB2 H 1.479 0.000 2 1414 158 158 LYS HB3 H 1.479 0.000 2 1415 158 158 LYS HD2 H 1.535 0.000 2 1416 158 158 LYS HD3 H 1.535 0.000 2 1417 158 158 LYS HE2 H 2.814 0.000 2 1418 158 158 LYS HE3 H 2.814 0.000 2 1419 158 158 LYS HG2 H 1.188 0.000 2 1420 158 158 LYS HG3 H 1.188 0.000 2 1421 158 158 LYS CA C 55.132 0.000 1 1422 158 158 LYS CB C 35.877 0.000 1 1423 158 158 LYS CD C 29.305 0.000 1 1424 158 158 LYS CE C 42.064 0.000 1 1425 158 158 LYS CG C 24.981 0.000 1 1426 158 158 LYS N N 123.564 0.000 1 1427 159 159 ILE H H 8.952 0.000 1 1428 159 159 ILE HA H 3.707 0.000 1 1429 159 159 ILE HB H 1.927 0.000 1 1430 159 159 ILE HD1 H 0.547 0.000 . 1431 159 159 ILE HG2 H 0.547 0.000 . 1432 159 159 ILE CA C 63.165 0.000 1 1433 159 159 ILE CB C 35.984 0.000 1 1434 159 159 ILE CD1 C 14.015 0.000 1 1435 159 159 ILE CG1 C 27.954 0.000 1 1436 159 159 ILE CG2 C 19.196 0.000 1 1437 159 159 ILE N N 121.734 0.000 1 1438 160 160 ILE H H 9.223 0.000 1 1439 160 160 ILE HA H 3.797 0.000 1 1440 160 160 ILE HB H 1.809 0.000 1 1441 160 160 ILE HD1 H 0.735 0.000 . 1442 160 160 ILE HG12 H 1.457 0.000 2 1443 160 160 ILE HG13 H 1.106 0.000 2 1444 160 160 ILE HG2 H 0.915 0.000 . 1445 160 160 ILE CA C 63.897 0.000 1 1446 160 160 ILE CB C 37.929 0.000 1 1447 160 160 ILE CD1 C 12.874 0.000 1 1448 160 160 ILE CG1 C 28.248 0.000 1 1449 160 160 ILE CG2 C 17.656 0.000 1 1450 160 160 ILE N N 130.269 0.000 1 1451 161 161 LYS H H 7.684 0.000 1 1452 161 161 LYS HA H 4.537 0.000 1 1453 161 161 LYS HB2 H 1.872 0.000 2 1454 161 161 LYS HB3 H 1.872 0.000 2 1455 161 161 LYS HD2 H 1.691 0.000 2 1456 161 161 LYS HD3 H 1.691 0.000 2 1457 161 161 LYS HE2 H 2.864 0.000 2 1458 161 161 LYS HE3 H 2.864 0.000 2 1459 161 161 LYS HG2 H 1.450 0.000 2 1460 161 161 LYS HG3 H 1.450 0.000 2 1461 161 161 LYS CA C 55.369 0.000 1 1462 161 161 LYS CB C 37.074 0.000 1 1463 161 161 LYS CD C 29.290 0.000 1 1464 161 161 LYS CE C 41.978 0.000 1 1465 161 161 LYS CG C 25.264 0.000 1 1466 161 161 LYS N N 115.254 0.000 1 1467 162 162 ALA H H 8.313 0.000 1 1468 162 162 ALA HA H 5.701 0.000 1 1469 162 162 ALA HB H 1.312 0.000 . 1470 162 162 ALA CA C 50.303 0.000 1 1471 162 162 ALA CB C 22.803 0.000 1 1472 162 162 ALA N N 124.438 0.000 1 1473 163 163 TYR H H 7.855 0.000 1 1474 163 163 TYR HD1 H 6.735 0.000 3 1475 163 163 TYR HD2 H 6.735 0.000 3 1476 163 163 TYR CA C 54.507 0.000 1 1477 163 163 TYR CB C 36.481 0.000 1 1478 163 163 TYR N N 112.565 0.000 1 1479 164 164 PRO HA H 5.653 0.000 1 1480 164 164 PRO HB2 H 2.331 0.000 2 1481 164 164 PRO HB3 H 2.196 0.000 2 1482 164 164 PRO HD2 H 4.503 0.000 2 1483 164 164 PRO HD3 H 4.503 0.000 2 1484 164 164 PRO HG2 H 2.517 0.000 2 1485 164 164 PRO HG3 H 2.517 0.000 2 1486 164 164 PRO CA C 61.655 0.000 1 1487 164 164 PRO CB C 32.473 0.000 1 1488 164 164 PRO CG C 27.244 0.000 1 1489 165 165 SER H H 8.643 0.000 1 1490 165 165 SER HA H 4.683 0.000 1 1491 165 165 SER HB2 H 3.894 0.000 2 1492 165 165 SER HB3 H 3.894 0.000 2 1493 165 165 SER CA C 58.711 0.000 1 1494 165 165 SER CB C 65.589 0.000 1 1495 165 165 SER N N 113.903 0.000 1 1496 166 166 GLY H H 8.562 0.000 1 1497 166 166 GLY HA2 H 4.157 0.000 2 1498 166 166 GLY N N 110.277 0.000 1 1499 183 183 GLY H H 8.654 0.000 1 1500 183 183 GLY HA2 H 4.023 0.000 2 1501 183 183 GLY CA C 46.240 0.000 1 1502 183 183 GLY N N 111.130 0.000 1 1503 184 184 ASP H H 8.718 0.000 1 1504 184 184 ASP HA H 5.000 0.000 1 1505 184 184 ASP HB2 H 2.720 0.000 2 1506 184 184 ASP HB3 H 2.523 0.000 2 1507 184 184 ASP CA C 53.569 0.000 1 1508 184 184 ASP CB C 41.809 0.000 1 1509 184 184 ASP N N 121.755 0.000 1 1510 185 185 GLY H H 8.007 0.000 1 1511 185 185 GLY HA2 H 3.979 0.000 2 1512 185 185 GLY HA3 H 3.491 0.000 2 1513 185 185 GLY CA C 43.321 0.000 1 1514 185 185 GLY N N 107.271 0.000 1 1515 186 186 GLY H H 8.256 0.000 1 1516 186 186 GLY HA2 H 4.155 0.000 2 1517 186 186 GLY HA3 H 3.477 0.000 2 1518 186 186 GLY CA C 43.396 0.000 1 1519 186 186 GLY N N 101.399 0.000 1 1520 187 187 ALA H H 8.597 0.000 1 1521 187 187 ALA HA H 3.829 0.000 1 1522 187 187 ALA HB H 0.755 0.000 . 1523 187 187 ALA CA C 51.645 0.000 1 1524 187 187 ALA CB C 19.790 0.000 1 1525 187 187 ALA N N 122.113 0.000 1 1526 188 188 PHE H H 9.033 0.000 1 1527 188 188 PHE HA H 4.678 0.000 1 1528 188 188 PHE HB2 H 3.024 0.000 2 1529 188 188 PHE HB3 H 2.759 0.000 2 1530 188 188 PHE HD1 H 7.312 0.000 3 1531 188 188 PHE HD2 H 7.312 0.000 3 1532 188 188 PHE CA C 55.514 0.000 1 1533 188 188 PHE CB C 39.223 0.000 1 1534 188 188 PHE N N 116.277 0.000 1 1535 189 189 PRO HA H 4.957 0.000 1 1536 189 189 PRO HB2 H 2.335 0.000 2 1537 189 189 PRO HB3 H 1.774 0.000 2 1538 189 189 PRO HD2 H 3.484 0.000 2 1539 189 189 PRO HD3 H 3.484 0.000 2 1540 189 189 PRO HG2 H 1.293 0.000 2 1541 189 189 PRO HG3 H 1.293 0.000 2 1542 189 189 PRO CA C 63.413 0.000 1 1543 189 189 PRO CB C 33.391 0.000 1 1544 189 189 PRO CD C 48.939 0.000 1 1545 189 189 PRO CG C 26.857 0.000 1 1546 190 190 GLU H H 10.442 0.000 1 1547 190 190 GLU HA H 5.123 0.000 1 1548 190 190 GLU HB2 H 2.264 0.000 2 1549 190 190 GLU HB3 H 1.589 0.000 2 1550 190 190 GLU HG2 H 1.960 0.000 2 1551 190 190 GLU HG3 H 1.960 0.000 2 1552 190 190 GLU CA C 56.353 0.000 1 1553 190 190 GLU CB C 28.366 0.000 1 1554 190 190 GLU CG C 35.806 0.000 1 1555 190 190 GLU N N 117.941 0.000 1 1556 191 191 ILE H H 7.618 0.000 1 1557 191 191 ILE HA H 4.046 0.000 1 1558 191 191 ILE HB H 1.950 0.000 1 1559 191 191 ILE HD1 H 0.560 0.000 . 1560 191 191 ILE HG12 H 1.269 0.000 2 1561 191 191 ILE HG13 H 0.892 0.000 2 1562 191 191 ILE HG2 H 0.865 0.000 . 1563 191 191 ILE CA C 60.919 0.000 1 1564 191 191 ILE CB C 37.854 0.000 1 1565 191 191 ILE CD1 C 12.084 0.000 1 1566 191 191 ILE CG1 C 26.542 0.000 1 1567 191 191 ILE CG2 C 17.184 0.000 1 1568 191 191 ILE N N 125.267 0.000 1 1569 192 192 HIS H H 8.573 0.000 1 1570 192 192 HIS HA H 4.736 0.000 1 1571 192 192 HIS HB2 H 3.137 0.000 2 1572 192 192 HIS HB3 H 2.935 0.000 2 1573 192 192 HIS HD2 H 6.447 0.000 1 1574 192 192 HIS CA C 54.579 0.000 1 1575 192 192 HIS CB C 28.855 0.000 1 1576 192 192 HIS N N 128.533 0.000 1 1577 193 193 VAL H H 8.025 0.000 1 1578 193 193 VAL HA H 4.304 0.000 1 1579 193 193 VAL HB H 1.966 0.000 1 1580 193 193 VAL HG1 H 0.923 0.000 . 1581 193 193 VAL HG2 H 0.862 0.000 . 1582 193 193 VAL CA C 60.234 0.000 1 1583 193 193 VAL CB C 35.039 0.000 1 1584 193 193 VAL CG1 C 20.551 0.000 2 1585 193 193 VAL CG2 C 20.551 0.000 2 1586 193 193 VAL N N 119.821 0.000 1 1587 194 194 ALA H H 8.464 0.000 1 1588 194 194 ALA HA H 4.554 0.000 1 1589 194 194 ALA HB H 1.269 0.000 . 1590 194 194 ALA CA C 53.186 0.000 1 1591 194 194 ALA CB C 18.345 0.000 1 1592 194 194 ALA N N 126.863 0.000 1 1593 195 195 GLN H H 8.494 0.000 1 1594 195 195 GLN HA H 4.338 0.000 1 1595 195 195 GLN HB2 H 2.199 0.000 2 1596 195 195 GLN HB3 H 2.199 0.000 2 1597 195 195 GLN HE21 H 7.817 0.000 2 1598 195 195 GLN HE22 H 7.435 0.000 2 1599 195 195 GLN HG2 H 2.401 0.000 2 1600 195 195 GLN HG3 H 2.401 0.000 2 1601 195 195 GLN CA C 54.802 0.000 1 1602 195 195 GLN CB C 34.076 0.000 1 1603 195 195 GLN CG C 32.405 0.000 1 1604 195 195 GLN N N 123.164 0.000 1 1605 195 195 GLN NE2 N 115.218 0.000 1 1606 196 196 TYR H H 8.913 0.000 1 1607 196 196 TYR HA H 4.341 0.000 1 1608 196 196 TYR HB2 H 2.825 0.000 2 1609 196 196 TYR HB3 H 2.574 0.000 2 1610 196 196 TYR HD1 H 7.100 0.000 3 1611 196 196 TYR HD2 H 7.100 0.000 3 1612 196 196 TYR HE1 H 6.582 0.000 3 1613 196 196 TYR HE2 H 6.582 0.000 3 1614 196 196 TYR CA C 54.773 0.000 1 1615 196 196 TYR CB C 38.870 0.000 1 1616 196 196 TYR N N 118.390 0.000 1 1617 197 197 PRO HA H 4.431 0.000 1 1618 197 197 PRO HB2 H 2.302 0.000 2 1619 197 197 PRO HB3 H 1.790 0.000 2 1620 197 197 PRO HD2 H 3.791 0.000 2 1621 197 197 PRO HD3 H 3.266 0.000 2 1622 197 197 PRO HG2 H 2.191 0.000 2 1623 197 197 PRO HG3 H 2.191 0.000 2 1624 197 197 PRO CA C 63.815 0.000 1 1625 197 197 PRO CB C 31.538 0.000 1 1626 197 197 PRO CD C 49.756 0.000 1 1627 197 197 PRO CG C 27.777 0.000 1 1628 198 198 LEU H H 9.207 0.000 1 1629 198 198 LEU HA H 3.921 0.000 1 1630 198 198 LEU HB2 H 1.652 0.000 2 1631 198 198 LEU HB3 H 1.652 0.000 2 1632 198 198 LEU HD1 H 0.826 0.000 . 1633 198 198 LEU HD2 H 0.826 0.000 . 1634 198 198 LEU HG H 1.472 0.000 1 1635 198 198 LEU CA C 56.319 0.000 1 1636 198 198 LEU CB C 40.043 0.000 1 1637 198 198 LEU CD1 C 26.316 0.000 2 1638 198 198 LEU CD2 C 22.983 0.000 2 1639 198 198 LEU CG C 26.703 0.000 1 1640 198 198 LEU N N 120.468 0.000 1 1641 199 199 ASP H H 8.177 0.000 1 1642 199 199 ASP HA H 4.129 0.000 1 1643 199 199 ASP HB2 H 2.896 0.000 2 1644 199 199 ASP HB3 H 2.896 0.000 2 1645 199 199 ASP CA C 57.236 0.000 1 1646 199 199 ASP CB C 39.760 0.000 1 1647 199 199 ASP N N 111.306 0.000 1 1648 200 200 MET H H 8.517 0.000 1 1649 200 200 MET HA H 3.967 0.000 1 1650 200 200 MET HB2 H 1.842 0.000 2 1651 200 200 MET HB3 H 1.842 0.000 2 1652 200 200 MET HE H 1.897 0.000 . 1653 200 200 MET HG2 H 2.572 0.000 2 1654 200 200 MET HG3 H 2.433 0.000 2 1655 200 200 MET CA C 58.765 0.000 1 1656 200 200 MET CB C 32.686 0.000 1 1657 200 200 MET CE C 17.357 0.000 1 1658 200 200 MET N N 122.793 0.000 1 1659 201 201 GLY H H 9.129 0.000 1 1660 201 201 GLY HA2 H 4.405 0.000 2 1661 201 201 GLY HA3 H 3.796 0.000 2 1662 201 201 GLY CA C 45.775 0.000 1 1663 201 201 GLY N N 113.427 0.000 1 1664 202 202 ARG H H 7.717 0.000 1 1665 202 202 ARG HA H 3.785 0.000 1 1666 202 202 ARG HB2 H 1.486 0.000 2 1667 202 202 ARG HB3 H 1.347 0.000 2 1668 202 202 ARG HD2 H 2.649 0.000 2 1669 202 202 ARG HD3 H 2.603 0.000 2 1670 202 202 ARG HG2 H 0.964 0.000 2 1671 202 202 ARG HG3 H 0.964 0.000 2 1672 202 202 ARG CA C 57.712 0.000 1 1673 202 202 ARG CB C 30.549 0.000 1 1674 202 202 ARG CD C 43.154 0.000 1 1675 202 202 ARG CG C 27.393 0.000 1 1676 202 202 ARG N N 120.223 0.000 1 1677 203 203 LYS H H 8.472 0.000 1 1678 203 203 LYS HA H 4.238 0.000 1 1679 203 203 LYS HB2 H 1.718 0.000 2 1680 203 203 LYS HB3 H 1.718 0.000 2 1681 203 203 LYS HD2 H 1.643 0.000 2 1682 203 203 LYS HD3 H 1.643 0.000 2 1683 203 203 LYS HE2 H 2.921 0.000 2 1684 203 203 LYS HE3 H 2.921 0.000 2 1685 203 203 LYS HG2 H 1.346 0.000 2 1686 203 203 LYS HG3 H 1.346 0.000 2 1687 203 203 LYS CA C 56.384 0.000 1 1688 203 203 LYS CB C 32.115 0.000 1 1689 203 203 LYS N N 121.282 0.000 1 stop_ save_