data_19114 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 4E-BP2 ; _BMRB_accession_number 19114 _BMRB_flat_file_name bmr19114.str _Entry_type original _Submission_date 2013-03-27 _Accession_date 2013-03-27 _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 Forman-Kay Julie . . 2 Bah Alaji . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 209 "13C chemical shifts" 438 "15N chemical shifts" 113 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-02-27 update BMRB 'update entry citation' 2014-02-12 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 19905 'Phosphorylated 4E-BP2' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Interaction of the eukaryotic initiation factor 4E with 4E-BP2 at a dynamic bipartite interface.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 24207126 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Lukhele Sabelo . . 2 Bah Alaji . . 3 Lin Hong . . 4 Sonenberg Nahum . . 5 Forman-Kay Julie D. . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 21 _Journal_issue 12 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 2186 _Page_last 2196 _Year 2013 _Details . loop_ _Keyword 'Fuzzy Complexes' 'Intrinsically Disordered Protein' NMR stop_ save_ ####################################### # Cited references within the entry # ####################################### save_reference_citation _Saveframe_category citation _Citation_full . _Citation_title 'Folding of an intrinsically disordered protein by phosphorylation as a regulatory switch' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25533957 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bah Alaji . . 2 Vernon Robert . . 3 Siddiqui Zeba . . 4 Krzeminski Mickael . . 5 Muhandiram Ranjith . . 6 Zhao Charlie . . 7 Sonenberg Nahum . . 8 Kay Lewis . . 9 Forman-Kay Julie . . stop_ _Journal_abbreviation Nature _Journal_name_full . _Journal_volume 519 _Journal_issue . _Journal_CSD . _Book_title . _Book_chapter_title . _Book_volume . _Book_series . _Book_publisher . _Book_publisher_city . _Book_ISBN . _Conference_title . _Conference_site . _Conference_state_province . _Conference_country . _Conference_start_date . _Conference_end_date . _Conference_abstract_number . _Thesis_institution . _Thesis_institution_city . _Thesis_institution_country . _Page_first 106 _Page_last 109 _Year 2015 _Details . loop_ _Keyword folding IDPs NMR 'Post translational modification' stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 4E-BP2 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label '4E-BP2, native' $4E-BP2 '4E-BP2, intrinsically disordered' $4E-BP2 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_4E-BP2 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 4E-BP2 _Molecular_mass 13798.3 _Mol_thiol_state 'all free' loop_ _Biological_function 'Regulation of eukaryotic translation initiation' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 128 _Mol_residue_sequence ; MPLGSPEFMSSSAGSGHQPS QSRAIPTRTVAISDAAQLPH DYCTTPGGTLFSTTPGGTRI IYDRKFLLDRRNSPMAQTPP CHLPNIPGVTSPGTLIEDSK VEVNNLDNLDNHDRKHAVGD DAQFEMDI ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -7 MET 2 -6 PRO 3 -5 LEU 4 -4 GLY 5 -3 SER 6 -2 PRO 7 -1 GLU 8 0 PHE 9 1 MET 10 2 SER 11 3 SER 12 4 SER 13 5 ALA 14 6 GLY 15 7 SER 16 8 GLY 17 9 HIS 18 10 GLN 19 11 PRO 20 12 SER 21 13 GLN 22 14 SER 23 15 ARG 24 16 ALA 25 17 ILE 26 18 PRO 27 19 THR 28 20 ARG 29 21 THR 30 22 VAL 31 23 ALA 32 24 ILE 33 25 SER 34 26 ASP 35 27 ALA 36 28 ALA 37 29 GLN 38 30 LEU 39 31 PRO 40 32 HIS 41 33 ASP 42 34 TYR 43 35 CYS 44 36 THR 45 37 THR 46 38 PRO 47 39 GLY 48 40 GLY 49 41 THR 50 42 LEU 51 43 PHE 52 44 SER 53 45 THR 54 46 THR 55 47 PRO 56 48 GLY 57 49 GLY 58 50 THR 59 51 ARG 60 52 ILE 61 53 ILE 62 54 TYR 63 55 ASP 64 56 ARG 65 57 LYS 66 58 PHE 67 59 LEU 68 60 LEU 69 61 ASP 70 62 ARG 71 63 ARG 72 64 ASN 73 65 SER 74 66 PRO 75 67 MET 76 68 ALA 77 69 GLN 78 70 THR 79 71 PRO 80 72 PRO 81 73 CYS 82 74 HIS 83 75 LEU 84 76 PRO 85 77 ASN 86 78 ILE 87 79 PRO 88 80 GLY 89 81 VAL 90 82 THR 91 83 SER 92 84 PRO 93 85 GLY 94 86 THR 95 87 LEU 96 88 ILE 97 89 GLU 98 90 ASP 99 91 SER 100 92 LYS 101 93 VAL 102 94 GLU 103 95 VAL 104 96 ASN 105 97 ASN 106 98 LEU 107 99 ASP 108 100 ASN 109 101 LEU 110 102 ASP 111 103 ASN 112 104 HIS 113 105 ASP 114 106 ARG 115 107 LYS 116 108 HIS 117 109 ALA 118 110 VAL 119 111 GLY 120 112 ASP 121 113 ASP 122 114 ALA 123 115 GLN 124 116 PHE 125 117 GLU 126 118 MET 127 119 ASP 128 120 ILE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 19905 Phosphorylated_4E-BP2 93.75 120 98.33 100.00 1.52e-80 DBJ BAG11409 "eukaryotic translation initiation factor 4E-binding protein 2 [synthetic construct]" 93.75 120 98.33 100.00 1.52e-80 DBJ BAG36466 "unnamed protein product [Homo sapiens]" 93.75 120 97.50 99.17 1.34e-79 EMBL CAG47036 "EIF4EBP2 [Homo sapiens]" 93.75 120 97.50 99.17 7.22e-80 GB AAA62270 "4E-binding protein 2 [Homo sapiens]" 93.75 120 98.33 100.00 1.52e-80 GB AAH05057 "Eukaryotic translation initiation factor 4E binding protein 2 [Homo sapiens]" 93.75 120 98.33 100.00 1.52e-80 GB AAH50633 "Eukaryotic translation initiation factor 4E binding protein 2 [Homo sapiens]" 93.75 120 98.33 100.00 1.52e-80 GB AAP35981 "eukaryotic translation initiation factor 4E binding protein 2 [Homo sapiens]" 93.75 120 98.33 100.00 1.52e-80 GB AAX32712 "eukaryotic translation initiation factor 4E binding protein 2 [synthetic construct]" 93.75 120 98.33 100.00 1.52e-80 PRF 2021415B "initiation factor 4E-binding protein:ISOTYPE=2" 93.75 120 98.33 100.00 1.52e-80 REF NP_001178078 "eukaryotic translation initiation factor 4E-binding protein 2 [Bos taurus]" 93.75 120 97.50 99.17 1.97e-79 REF NP_001244839 "eukaryotic translation initiation factor 4E-binding protein 2 [Macaca mulatta]" 93.75 120 98.33 100.00 1.52e-80 REF NP_004087 "eukaryotic translation initiation factor 4E-binding protein 2 [Homo sapiens]" 93.75 120 98.33 100.00 1.52e-80 REF XP_002718482 "PREDICTED: eukaryotic translation initiation factor 4E-binding protein 2 [Oryctolagus cuniculus]" 93.75 120 97.50 99.17 1.97e-79 REF XP_003133106 "PREDICTED: eukaryotic translation initiation factor 4E-binding protein 2 [Sus scrofa]" 93.75 120 97.50 99.17 1.97e-79 SP Q13542 "RecName: Full=Eukaryotic translation initiation factor 4E-binding protein 2; Short=4E-BP2; Short=eIF4E-binding protein 2" 93.75 120 98.33 100.00 1.52e-80 TPG DAA14291 "TPA: eukaryotic translation initiation factor 4E binding protein 2-like [Bos taurus]" 93.75 120 97.50 99.17 1.97e-79 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $4E-BP2 Humans 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 $4E-BP2 'recombinant technology' . Escherichia coli . pGEX stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Concentration_min_value _Concentration_max_value _Isotopic_labeling $4E-BP2 . uM 800 1200 '[U-99% 13C; U-99% 15N]' DTT 2 mM . . 'natural abundance' 'sodium chloride' 100 mM . . 'natural abundance' 'sodium phosphate' 30 mM . . 'natural abundance' EDTA 1 mM . . 'natural abundance' benzamidine 1 mM . . 'natural abundance' H2O 90 % . . 'natural abundance' D2O 10 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 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' 150 . mM pH 6.0 . pH pressure 1 . atm temperature 283 . 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 carbon' Hz -1078.011901946 internal indirect . . . 0.251449528 DSS H 1 protons Hz -4287.19 internal direct . . . 1.000000000 urea N 15 nitrogen Hz -434.417181398 internal 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 '2D 1H-15N HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name '4E-BP2, native' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 -6 2 PRO CA C 62.600 0.000 . 2 -6 2 PRO CB C 32.051 0.000 . 3 -6 2 PRO CG C 26.782 0.000 . 4 -6 2 PRO CD C 49.240 0.000 . 5 -5 3 LEU H H 8.6380 0.000 . 6 -5 3 LEU HA H 4.272 0.000 . 7 -5 3 LEU C C 177.580 0.000 . 8 -5 3 LEU CA C 55.017 0.000 . 9 -5 3 LEU CB C 41.768 0.000 . 10 -5 3 LEU CG C 26.728 0.000 . 11 -5 3 LEU N N 122.661 0.000 . 12 -4 4 GLY H H 8.4670 0.000 . 13 -4 4 GLY C C 173.414 0.000 . 14 -4 4 GLY CA C 44.638 0.000 . 15 -4 4 GLY N N 110.091 0.000 . 16 -3 5 SER H H 8.2410 0.000 . 17 -3 5 SER HA H 4.752 0.000 . 18 -3 5 SER C C 172.529 0.000 . 19 -3 5 SER CA C 56.158 0.000 . 20 -3 5 SER CB C 62.880 0.000 . 21 -3 5 SER N N 117.097 0.000 . 22 -2 6 PRO HA H 4.379 0.000 . 23 -2 6 PRO C C 176.796 0.000 . 24 -2 6 PRO CA C 63.300 0.000 . 25 -2 6 PRO CB C 31.677 0.000 . 26 -2 6 PRO CG C 50.347 0.000 . 27 -2 6 PRO CD C 27.181 0.000 . 28 -1 7 GLU H H 8.6000 0.000 . 29 -1 7 GLU HA H 4.127 0.000 . 30 -1 7 GLU C C 176.096 0.000 . 31 -1 7 GLU CA C 56.670 0.000 . 32 -1 7 GLU CB C 29.647 0.000 . 33 -1 7 GLU CG C 35.784 0.000 . 34 -1 7 GLU N N 120.697 0.000 . 35 0 8 PHE H H 8.2230 0.000 . 36 0 8 PHE HA H 4.572 0.000 . 37 0 8 PHE C C 175.496 0.000 . 38 0 8 PHE CA C 57.610 0.000 . 39 0 8 PHE CB C 39.166 0.000 . 40 0 8 PHE N N 120.797 0.000 . 41 1 9 MET H H 8.2980 0.000 . 42 1 9 MET HA H 4.416 0.000 . 43 1 9 MET C C 175.745 0.000 . 44 1 9 MET CA C 55.030 0.000 . 45 1 9 MET CB C 31.584 0.000 . 46 1 9 MET N N 122.142 0.000 . 47 2 10 SER H H 8.3730 0.000 . 48 2 10 SER HA H 4.400 0.000 . 49 2 10 SER C C 174.496 0.000 . 50 2 10 SER CA C 58.159 0.000 . 51 2 10 SER CB C 63.344 0.000 . 52 2 10 SER N N 117.197 0.000 . 53 3 11 SER H H 8.4690 0.000 . 54 3 11 SER HA H 4.482 0.000 . 55 3 11 SER C C 174.496 0.000 . 56 3 11 SER CA C 58.210 0.000 . 57 3 11 SER CB C 63.393 0.000 . 58 3 11 SER N N 117.997 0.000 . 59 4 12 SER H H 8.4230 0.000 . 60 4 12 SER HA H 4.430 0.000 . 61 4 12 SER C C 174.224 0.000 . 62 4 12 SER CA C 58.146 0.000 . 63 4 12 SER CB C 63.304 0.000 . 64 4 12 SER N N 117.872 0.000 . 65 5 13 ALA H H 8.3400 0.000 . 66 5 13 ALA HA H 4.298 0.000 . 67 5 13 ALA C C 177.996 0.000 . 68 5 13 ALA CA C 52.591 0.000 . 69 5 13 ALA CB C 18.802 0.000 . 70 5 13 ALA N N 125.897 0.000 . 71 6 14 GLY H H 8.4000 0.000 . 72 6 14 GLY C C 174.096 0.000 . 73 6 14 GLY CA C 44.913 0.000 . 74 6 14 GLY N N 108.197 0.000 . 75 7 15 SER H H 8.3170 0.000 . 76 7 15 SER HA H 4.412 0.000 . 77 7 15 SER C C 174.876 0.000 . 78 7 15 SER CA C 58.241 0.000 . 79 7 15 SER CB C 63.455 0.000 . 80 7 15 SER N N 115.745 0.000 . 81 8 16 GLY H H 8.5630 0.000 . 82 8 16 GLY C C 173.542 0.000 . 83 8 16 GLY CA C 44.870 0.000 . 84 8 16 GLY N N 110.629 0.000 . 85 9 17 HIS H H 8.3740 0.000 . 86 9 17 HIS HA H 4.674 0.000 . 87 9 17 HIS C C 174.072 0.000 . 88 9 17 HIS CA C 54.861 0.000 . 89 9 17 HIS CB C 29.048 0.000 . 90 9 17 HIS N N 118.313 0.000 . 91 10 18 GLN H H 8.5970 0.000 . 92 10 18 GLN HA H 4.593 0.000 . 93 10 18 GLN C C 173.630 0.000 . 94 10 18 GLN CA C 53.342 0.000 . 95 10 18 GLN CB C 28.520 0.000 . 96 10 18 GLN N N 123.296 0.000 . 97 11 19 PRO HA H 4.436 0.000 . 98 11 19 PRO C C 176.667 0.000 . 99 11 19 PRO CA C 62.850 0.000 . 100 11 19 PRO CB C 31.836 0.000 . 101 11 19 PRO CG C 27.176 0.000 . 102 11 19 PRO CD C 50.255 0.000 . 103 12 20 SER H H 8.6050 0.000 . 104 12 20 SER HA H 4.365 0.000 . 105 12 20 SER C C 174.468 0.000 . 106 12 20 SER CA C 58.198 0.000 . 107 12 20 SER CB C 63.242 0.000 . 108 12 20 SER N N 116.491 0.000 . 109 13 21 GLN H H 8.5760 0.000 . 110 13 21 GLN HA H 4.368 0.000 . 111 13 21 GLN C C 175.661 0.000 . 112 13 21 GLN CA C 55.393 0.000 . 113 13 21 GLN CB C 29.193 0.000 . 114 13 21 GLN CG C 33.448 0.000 . 115 13 21 GLN N N 122.466 0.000 . 116 14 22 SER H H 8.4450 0.000 . 117 14 22 SER HA H 4.398 0.000 . 118 14 22 SER C C 174.096 0.000 . 119 14 22 SER CA C 58.170 0.000 . 120 14 22 SER CB C 63.285 0.000 . 121 14 22 SER N N 117.397 0.000 . 122 15 23 ARG H H 8.4460 0.000 . 123 15 23 ARG HA H 4.328 0.000 . 124 15 23 ARG C C 175.415 0.000 . 125 15 23 ARG CA C 55.375 0.000 . 126 15 23 ARG CB C 30.592 0.000 . 127 15 23 ARG CG C 30.592 0.000 . 128 15 23 ARG CD C 42.967 0.000 . 129 15 23 ARG N N 123.440 0.000 . 130 16 24 ALA H H 8.3850 0.000 . 131 16 24 ALA HA H 4.271 0.000 . 132 16 24 ALA C C 177.052 0.000 . 133 16 24 ALA CA C 51.850 0.000 . 134 16 24 ALA CB C 18.779 0.000 . 135 16 24 ALA N N 125.742 0.000 . 136 17 25 ILE H H 8.3400 0.000 . 137 17 25 ILE HA H 4.407 0.000 . 138 17 25 ILE C C 174.408 0.000 . 139 17 25 ILE CA C 58.265 0.000 . 140 17 25 ILE CB C 38.200 0.000 . 141 17 25 ILE N N 122.900 0.000 . 142 18 26 PRO HA H 4.405 0.000 . 143 18 26 PRO CA C 62.842 0.000 . 144 18 26 PRO CB C 31.924 0.000 . 145 18 26 PRO CG C 27.134 0.000 . 146 18 26 PRO CD C 50.759 0.000 . 147 19 27 THR H H 8.3800 0.000 . 148 19 27 THR HA H 4.246 0.000 . 149 19 27 THR C C 174.097 0.000 . 150 19 27 THR CA C 61.700 0.000 . 151 19 27 THR CB C 69.418 0.000 . 152 19 27 THR CG2 C 21.446 0.000 . 153 19 27 THR N N 115.870 0.000 . 154 20 28 ARG H H 8.5040 0.000 . 155 20 28 ARG HA H 4.413 0.000 . 156 20 28 ARG C C 175.851 0.000 . 157 20 28 ARG CA C 55.568 0.000 . 158 20 28 ARG CB C 30.640 0.000 . 159 20 28 ARG CG C 26.763 0.000 . 160 20 28 ARG CD C 42.968 0.000 . 161 20 28 ARG N N 124.244 0.000 . 162 21 29 THR H H 8.4220 0.000 . 163 21 29 THR HA H 4.308 0.000 . 164 21 29 THR C C 173.950 0.000 . 165 21 29 THR CA C 61.510 0.000 . 166 21 29 THR CB C 69.500 0.000 . 167 21 29 THR CG2 C 21.418 0.000 . 168 21 29 THR N N 117.620 0.000 . 169 22 30 VAL H H 8.3090 0.000 . 170 22 30 VAL HA H 4.090 0.000 . 171 22 30 VAL C C 175.156 0.000 . 172 22 30 VAL CA C 61.603 0.000 . 173 22 30 VAL CB C 32.634 0.000 . 174 22 30 VAL N N 123.705 0.000 . 175 23 31 ALA H H 8.5400 0.000 . 176 23 31 ALA HA H 4.320 0.000 . 177 23 31 ALA C C 177.396 0.000 . 178 23 31 ALA CA C 51.870 0.000 . 179 23 31 ALA CB C 18.978 0.000 . 180 23 31 ALA N N 128.797 0.000 . 181 24 32 ILE H H 8.3590 0.000 . 182 24 32 ILE HA H 4.118 0.000 . 183 24 32 ILE C C 176.131 0.000 . 184 24 32 ILE CA C 60.908 0.000 . 185 24 32 ILE CB C 38.346 0.000 . 186 24 32 ILE CD1 C 13.052 0.000 . 187 24 32 ILE N N 121.390 0.000 . 188 25 33 SER H H 8.4500 0.000 . 189 25 33 SER HA H 4.418 0.000 . 190 25 33 SER C C 174.031 0.000 . 191 25 33 SER CA C 57.920 0.000 . 192 25 33 SER CB C 63.431 0.000 . 193 25 33 SER N N 119.750 0.000 . 194 26 34 ASP H H 8.3990 0.000 . 195 26 34 ASP HA H 4.567 0.000 . 196 26 34 ASP C C 175.996 0.000 . 197 26 34 ASP CA C 54.049 0.000 . 198 26 34 ASP CB C 40.700 0.000 . 199 26 34 ASP N N 123.197 0.000 . 200 27 35 ALA H H 8.2970 0.000 . 201 27 35 ALA HA H 4.200 0.000 . 202 27 35 ALA C C 177.510 0.000 . 203 27 35 ALA CA C 52.530 0.000 . 204 27 35 ALA CB C 18.703 0.000 . 205 27 35 ALA N N 124.556 0.000 . 206 28 36 ALA H H 8.2760 0.000 . 207 28 36 ALA HA H 4.231 0.000 . 208 28 36 ALA C C 177.496 0.000 . 209 28 36 ALA CA C 52.310 0.000 . 210 28 36 ALA CB C 18.705 0.000 . 211 28 36 ALA N N 122.297 0.000 . 212 29 37 GLN H H 8.1950 0.000 . 213 29 37 GLN HA H 4.287 0.000 . 214 29 37 GLN C C 175.427 0.000 . 215 29 37 GLN CA C 54.915 0.000 . 216 29 37 GLN CB C 29.213 0.000 . 217 29 37 GLN CG C 33.471 0.000 . 218 29 37 GLN N N 118.707 0.000 . 219 30 38 LEU H H 8.2810 0.000 . 220 30 38 LEU HA H 4.536 0.000 . 221 30 38 LEU C C 174.766 0.000 . 222 30 38 LEU CA C 52.810 0.000 . 223 30 38 LEU CB C 41.000 0.000 . 224 30 38 LEU N N 124.985 0.000 . 225 31 39 PRO HA H 4.395 0.000 . 226 31 39 PRO C C 176.447 0.000 . 227 31 39 PRO CA C 62.720 0.000 . 228 31 39 PRO CB C 31.767 0.000 . 229 31 39 PRO CG C 27.201 0.000 . 230 31 39 PRO CD C 50.142 0.000 . 231 32 40 HIS H H 8.6490 0.000 . 232 32 40 HIS HA H 4.540 0.000 . 233 32 40 HIS C C 173.743 0.000 . 234 32 40 HIS CA C 55.128 0.000 . 235 32 40 HIS CB C 28.908 0.000 . 236 32 40 HIS N N 119.089 0.000 . 237 33 41 ASP H H 8.4200 0.000 . 238 33 41 ASP C C 175.369 0.000 . 239 33 41 ASP CA C 53.584 0.000 . 240 33 41 ASP CB C 40.567 0.000 . 241 33 41 ASP N N 121.193 0.000 . 242 34 42 TYR H H 8.2130 0.000 . 243 34 42 TYR C C 175.208 0.000 . 244 34 42 TYR CA C 57.522 0.000 . 245 34 42 TYR CB C 38.366 0.000 . 246 34 42 TYR N N 120.658 0.000 . 247 35 43 CYS H H 8.6830 0.000 . 248 35 43 CYS C C 174.112 0.000 . 249 35 43 CYS CA C 58.230 0.000 . 250 35 43 CYS CB C 27.802 0.000 . 251 35 43 CYS N N 121.751 0.000 . 252 36 44 THR H H 8.3110 0.000 . 253 36 44 THR C C 173.422 0.000 . 254 36 44 THR CA C 61.233 0.000 . 255 36 44 THR CB C 69.600 0.000 . 256 36 44 THR CG2 C 21.291 0.000 . 257 36 44 THR N N 116.747 0.000 . 258 37 45 THR H H 8.1790 0.000 . 259 37 45 THR HA H 4.604 0.000 . 260 37 45 THR C C 172.387 0.000 . 261 37 45 THR CA C 59.450 0.000 . 262 37 45 THR CB C 69.280 0.000 . 263 37 45 THR N N 117.147 0.000 . 264 38 46 PRO HA H 4.399 0.000 . 265 38 46 PRO C C 177.271 0.000 . 266 38 46 PRO CA C 63.304 0.000 . 267 38 46 PRO CB C 31.704 0.000 . 268 38 46 PRO CG C 27.288 0.000 . 269 38 46 PRO CD C 50.753 0.000 . 270 39 47 GLY H H 8.6600 0.000 . 271 39 47 GLY C C 174.414 0.000 . 272 39 47 GLY CA C 44.895 0.000 . 273 39 47 GLY N N 110.083 0.000 . 274 40 48 GLY H H 8.3090 0.000 . 275 40 48 GLY C C 173.740 0.000 . 276 40 48 GLY CA C 44.815 0.000 . 277 40 48 GLY N N 108.864 0.000 . 278 41 49 THR H H 8.1330 0.000 . 279 41 49 THR C C 173.904 0.000 . 280 41 49 THR CA C 61.580 0.000 . 281 41 49 THR CB C 69.514 0.000 . 282 41 49 THR CG2 C 21.484 0.000 . 283 41 49 THR N N 114.097 0.000 . 284 42 50 LEU H H 8.3910 0.000 . 285 42 50 LEU C C 176.467 0.000 . 286 42 50 LEU CA C 54.023 0.000 . 287 42 50 LEU CB C 42.356 0.000 . 288 42 50 LEU CG C 26.315 0.000 . 289 42 50 LEU N N 124.904 0.000 . 290 43 51 PHE H H 8.7350 0.000 . 291 43 51 PHE C C 176.013 0.000 . 292 43 51 PHE CA C 58.508 0.000 . 293 43 51 PHE CB C 40.020 0.000 . 294 43 51 PHE N N 125.131 0.000 . 295 44 52 SER H H 8.4420 0.000 . 296 44 52 SER C C 174.031 0.000 . 297 44 52 SER CA C 57.646 0.000 . 298 44 52 SER CB C 63.812 0.000 . 299 44 52 SER N N 119.762 0.000 . 300 45 53 THR H H 8.3720 0.000 . 301 45 53 THR C C 174.359 0.000 . 302 45 53 THR CA C 61.233 0.000 . 303 45 53 THR CB C 69.600 0.000 . 304 45 53 THR CG2 C 21.291 0.000 . 305 45 53 THR N N 115.647 0.000 . 306 46 54 THR H H 8.1790 0.000 . 307 46 54 THR C C 178.354 0.000 . 308 46 54 THR CA C 58.470 0.000 . 309 46 54 THR CB C 69.670 0.000 . 310 46 54 THR N N 117.147 0.000 . 311 47 55 PRO C C 177.269 0.000 . 312 47 55 PRO CA C 63.304 0.000 . 313 47 55 PRO CB C 27.207 0.000 . 314 47 55 PRO CG C 50.753 0.000 . 315 48 56 GLY H H 8.6600 0.000 . 316 48 56 GLY C C 174.414 0.000 . 317 48 56 GLY CA C 44.895 0.000 . 318 48 56 GLY N N 110.083 0.000 . 319 49 57 GLY H H 8.3600 0.000 . 320 49 57 GLY C C 173.939 0.000 . 321 49 57 GLY CA C 44.815 0.000 . 322 49 57 GLY N N 108.960 0.000 . 323 50 58 THR H H 8.1330 0.000 . 324 50 58 THR C C 173.904 0.000 . 325 50 58 THR CA C 61.719 0.000 . 326 50 58 THR CB C 69.315 0.000 . 327 50 58 THR CG2 C 21.453 0.000 . 328 50 58 THR N N 114.097 0.000 . 329 51 59 ARG H H 8.5230 0.000 . 330 51 59 ARG C C 175.482 0.000 . 331 51 59 ARG CA C 55.772 0.000 . 332 51 59 ARG CB C 30.471 0.000 . 333 51 59 ARG CG C 26.750 0.000 . 334 51 59 ARG CD C 42.959 0.000 . 335 51 59 ARG N N 124.692 0.000 . 336 52 60 ILE H H 8.3020 0.000 . 337 52 60 ILE HA H 3.980 0.000 . 338 52 60 ILE C C 175.116 0.000 . 339 52 60 ILE CA C 60.691 0.000 . 340 52 60 ILE CB C 38.259 0.000 . 341 52 60 ILE CD1 C 12.318 0.000 . 342 52 60 ILE N N 124.174 0.000 . 343 53 61 ILE C C 175.253 0.000 . 344 53 61 ILE CA C 60.561 0.000 . 345 53 61 ILE CB C 38.122 0.000 . 346 53 61 ILE CD1 C 12.328 0.000 . 347 54 62 TYR H H 8.2250 0.000 . 348 54 62 TYR C C 175.480 0.000 . 349 54 62 TYR CA C 60.254 0.000 . 350 54 62 TYR CB C 37.760 0.000 . 351 54 62 TYR N N 125.996 0.000 . 352 55 63 ASP H H 8.3590 0.000 . 353 55 63 ASP C C 175.850 0.000 . 354 55 63 ASP CA C 53.573 0.000 . 355 55 63 ASP CB C 41.129 0.000 . 356 55 63 ASP N N 122.638 0.000 . 357 56 64 ARG H H 8.3990 0.000 . 358 56 64 ARG C C 176.544 0.000 . 359 56 64 ARG CA C 56.906 0.000 . 360 56 64 ARG CB C 30.056 0.000 . 361 56 64 ARG CG C 26.909 0.000 . 362 56 64 ARG CD C 42.977 0.000 . 363 56 64 ARG N N 122.344 0.000 . 364 57 65 LYS H H 8.3740 0.000 . 365 57 65 LYS C C 176.574 0.000 . 366 57 65 LYS CA C 57.186 0.000 . 367 57 65 LYS CB C 32.052 0.000 . 368 57 65 LYS CG C 24.493 0.000 . 369 57 65 LYS CD C 28.715 0.000 . 370 57 65 LYS CE C 41.618 0.000 . 371 57 65 LYS N N 120.936 0.000 . 372 58 66 PHE H H 8.0800 0.000 . 373 58 66 PHE C C 175.786 0.000 . 374 58 66 PHE CA C 58.158 0.000 . 375 58 66 PHE CB C 39.007 0.000 . 376 58 66 PHE N N 119.904 0.000 . 377 59 67 LEU H H 8.0110 0.000 . 378 59 67 LEU C C 177.267 0.000 . 379 59 67 LEU CA C 55.261 0.000 . 380 59 67 LEU CB C 41.894 0.000 . 381 59 67 LEU CG C 26.561 0.000 . 382 59 67 LEU N N 121.852 0.000 . 383 60 68 LEU H H 8.0900 0.000 . 384 60 68 LEU HA H 4.188 0.000 . 385 60 68 LEU C C 176.957 0.000 . 386 60 68 LEU CA C 55.265 0.000 . 387 60 68 LEU CB C 41.870 0.000 . 388 60 68 LEU CG C 26.771 0.000 . 389 60 68 LEU N N 121.799 0.000 . 390 61 69 ASP H H 8.2460 0.000 . 391 61 69 ASP HA H 4.534 0.000 . 392 61 69 ASP C C 176.407 0.000 . 393 61 69 ASP CA C 54.005 0.000 . 394 61 69 ASP CB C 40.663 0.000 . 395 61 69 ASP N N 120.843 0.000 . 396 62 70 ARG H H 8.2940 0.000 . 397 62 70 ARG C C 176.528 0.000 . 398 62 70 ARG CA C 56.186 0.000 . 399 62 70 ARG CB C 29.833 0.000 . 400 62 70 ARG CG C 26.700 0.000 . 401 62 70 ARG CD C 42.946 0.000 . 402 62 70 ARG N N 122.002 0.000 . 403 63 71 ARG H H 8.3160 0.000 . 404 63 71 ARG HA H 4.195 0.000 . 405 63 71 ARG C C 176.131 0.000 . 406 63 71 ARG CA C 56.551 0.000 . 407 63 71 ARG CB C 30.125 0.000 . 408 63 71 ARG CG C 26.769 0.000 . 409 63 71 ARG CD C 43.019 0.000 . 410 63 71 ARG N N 120.730 0.000 . 411 64 72 ASN H H 8.3600 0.000 . 412 64 72 ASN HA H 4.710 0.000 . 413 64 72 ASN C C 174.465 0.000 . 414 64 72 ASN CA C 52.710 0.000 . 415 64 72 ASN CB C 38.607 0.000 . 416 64 72 ASN N N 118.242 0.000 . 417 65 73 SER H H 8.1460 0.000 . 418 65 73 SER HA H 4.728 0.000 . 419 65 73 SER C C 178.296 0.000 . 420 65 73 SER CA C 56.030 0.000 . 421 65 73 SER CB C 62.830 0.000 . 422 65 73 SER N N 117.097 0.000 . 423 66 74 PRO HA H 4.421 0.000 . 424 66 74 PRO C C 176.706 0.000 . 425 66 74 PRO CA C 63.040 0.000 . 426 66 74 PRO CB C 31.728 0.000 . 427 66 74 PRO CG C 27.100 0.000 . 428 66 74 PRO CD C 50.351 0.000 . 429 67 75 MET H H 8.4710 0.000 . 430 67 75 MET HA H 4.397 0.000 . 431 67 75 MET C C 175.716 0.000 . 432 67 75 MET CA C 55.022 0.000 . 433 67 75 MET CB C 31.693 0.000 . 434 67 75 MET N N 120.328 0.000 . 435 68 76 ALA H H 8.3590 0.000 . 436 68 76 ALA HA H 4.269 0.000 . 437 68 76 ALA C C 177.187 0.000 . 438 68 76 ALA CA C 51.950 0.000 . 439 68 76 ALA CB C 18.880 0.000 . 440 68 76 ALA N N 125.544 0.000 . 441 69 77 GLN H H 8.4610 0.000 . 442 69 77 GLN HA H 4.348 0.000 . 443 69 77 GLN C C 175.575 0.000 . 444 69 77 GLN CA C 55.034 0.000 . 445 69 77 GLN CB C 29.310 0.000 . 446 69 77 GLN CG C 33.465 0.000 . 447 69 77 GLN N N 119.881 0.000 . 448 70 78 THR H H 8.3860 0.000 . 449 70 78 THR HA H 4.523 0.000 . 450 70 78 THR C C 171.939 0.000 . 451 70 78 THR CA C 59.618 0.000 . 452 70 78 THR CB C 69.200 0.000 . 453 70 78 THR N N 119.250 0.000 . 454 71 79 PRO HA H 4.676 0.000 . 455 72 80 PRO HA H 4.357 0.000 . 456 72 80 PRO C C 176.259 0.000 . 457 72 80 PRO CA C 62.512 0.000 . 458 72 80 PRO CB C 31.839 0.000 . 459 72 80 PRO CG C 27.122 0.000 . 460 72 80 PRO CD C 50.109 0.000 . 461 73 81 CYS H H 8.5210 0.000 . 462 73 81 CYS HA H 4.407 0.000 . 463 73 81 CYS C C 173.896 0.000 . 464 73 81 CYS CA C 57.962 0.000 . 465 73 81 CYS CB C 27.780 0.000 . 466 73 81 CYS N N 119.530 0.000 . 467 74 82 HIS H H 8.6590 0.000 . 468 74 82 HIS HA H 4.713 0.000 . 469 74 82 HIS C C 173.796 0.000 . 470 74 82 HIS CA C 54.700 0.000 . 471 74 82 HIS CB C 29.165 0.000 . 472 74 82 HIS N N 121.597 0.000 . 473 75 83 LEU H H 8.4780 0.000 . 474 75 83 LEU HA H 4.569 0.000 . 475 75 83 LEU C C 174.718 0.000 . 476 75 83 LEU CA C 52.740 0.000 . 477 75 83 LEU CB C 41.170 0.000 . 478 75 83 LEU N N 125.715 0.000 . 479 76 84 PRO HA H 4.395 0.000 . 480 76 84 PRO C C 175.425 0.000 . 481 76 84 PRO CA C 62.590 0.000 . 482 76 84 PRO CB C 31.759 0.000 . 483 76 84 PRO CG C 26.993 0.000 . 484 76 84 PRO CD C 50.079 0.000 . 485 77 85 ASN H H 8.5950 0.000 . 486 77 85 ASN HA H 4.600 0.000 . 487 77 85 ASN C C 174.343 0.000 . 488 77 85 ASN CA C 52.817 0.000 . 489 77 85 ASN CB C 38.480 0.000 . 490 77 85 ASN N N 119.082 0.000 . 491 78 86 ILE H H 8.3060 0.000 . 492 78 86 ILE HA H 4.464 0.000 . 493 78 86 ILE C C 174.002 0.000 . 494 78 86 ILE CA C 58.004 0.000 . 495 78 86 ILE CB C 38.570 0.000 . 496 78 86 ILE N N 123.654 0.000 . 497 79 87 PRO HA H 4.353 0.000 . 498 79 87 PRO C C 177.100 0.000 . 499 79 87 PRO CA C 63.250 0.000 . 500 79 87 PRO CB C 31.800 0.000 . 501 79 87 PRO CG C 27.126 0.000 . 502 79 87 PRO CD C 50.666 0.000 . 503 80 88 GLY H H 8.5850 0.000 . 504 80 88 GLY HA2 H 4.271 0.000 . 505 80 88 GLY HA3 H 4.271 0.000 . 506 80 88 GLY C C 173.650 0.000 . 507 80 88 GLY CA C 44.760 0.000 . 508 80 88 GLY N N 110.040 0.000 . 509 81 89 VAL H H 8.1020 0.000 . 510 81 89 VAL HA H 4.192 0.000 . 511 81 89 VAL C C 176.136 0.000 . 512 81 89 VAL CA C 61.907 0.000 . 513 81 89 VAL CB C 32.721 0.000 . 514 81 89 VAL N N 120.053 0.000 . 515 82 90 THR H H 8.4700 0.000 . 516 82 90 THR HA H 4.357 0.000 . 517 82 90 THR C C 173.879 0.000 . 518 82 90 THR CA C 69.400 0.000 . 519 82 90 THR CB C 61.399 0.000 . 520 82 90 THR CG2 C 21.488 0.000 . 521 82 90 THR N N 118.647 0.000 . 522 83 91 SER H H 8.5190 0.000 . 523 83 91 SER HA H 4.759 0.000 . 524 83 91 SER C C 172.387 0.000 . 525 83 91 SER CA C 55.950 0.000 . 526 83 91 SER CB C 62.800 0.000 . 527 83 91 SER N N 120.224 0.000 . 528 84 92 PRO HA H 4.417 0.000 . 529 84 92 PRO CA C 63.314 0.000 . 530 84 92 PRO CB C 31.749 0.000 . 531 84 92 PRO CG C 27.067 0.000 . 532 84 92 PRO CD C 50.449 0.000 . 533 85 93 GLY H H 8.5730 0.000 . 534 85 93 GLY C C 173.840 0.000 . 535 85 93 GLY CA C 44.866 0.000 . 536 85 93 GLY N N 109.295 0.000 . 537 86 94 THR H H 8.0450 0.000 . 538 86 94 THR HA H 4.268 0.000 . 539 86 94 THR C C 173.917 0.000 . 540 86 94 THR CA C 61.750 0.000 . 541 86 94 THR CB C 69.435 0.000 . 542 86 94 THR CG2 C 21.330 0.000 . 543 86 94 THR N N 114.577 0.000 . 544 87 95 LEU H H 8.4170 0.000 . 545 87 95 LEU HA H 4.364 0.000 . 546 87 95 LEU C C 176.780 0.000 . 547 87 95 LEU CA C 54.837 0.000 . 548 87 95 LEU CB C 41.913 0.000 . 549 87 95 LEU CG C 26.745 0.000 . 550 87 95 LEU N N 125.593 0.000 . 551 88 96 ILE H H 8.3370 0.000 . 552 88 96 ILE HA H 4.105 0.000 . 553 88 96 ILE C C 175.976 0.000 . 554 88 96 ILE CA C 60.700 0.000 . 555 88 96 ILE CB C 38.133 0.000 . 556 88 96 ILE CD1 C 13.052 0.000 . 557 88 96 ILE N N 123.523 0.000 . 558 89 97 GLU H H 8.6330 0.000 . 559 89 97 GLU C C 175.796 0.000 . 560 89 97 GLU CA C 56.170 0.000 . 561 89 97 GLU CB C 29.956 0.000 . 562 89 97 GLU CG C 35.869 0.000 . 563 89 97 GLU N N 125.897 0.000 . 564 90 98 ASP H H 8.5080 0.000 . 565 90 98 ASP HA H 4.574 0.000 . 566 90 98 ASP C C 176.042 0.000 . 567 90 98 ASP CA C 54.120 0.000 . 568 90 98 ASP CB C 40.746 0.000 . 569 90 98 ASP N N 122.442 0.000 . 570 91 99 SER H H 8.3660 0.000 . 571 91 99 SER C C 174.230 0.000 . 572 91 99 SER CA C 58.240 0.000 . 573 91 99 SER CB C 63.525 0.000 . 574 91 99 SER N N 116.688 0.000 . 575 92 100 LYS H H 8.4350 0.000 . 576 92 100 LYS HA H 4.326 0.000 . 577 92 100 LYS C C 176.125 0.000 . 578 92 100 LYS CA C 55.870 0.000 . 579 92 100 LYS CB C 32.601 0.000 . 580 92 100 LYS CG C 24.442 0.000 . 581 92 100 LYS CD C 28.695 0.000 . 582 92 100 LYS CE C 41.821 0.000 . 583 92 100 LYS N N 123.506 0.000 . 584 93 101 VAL H H 8.1480 0.000 . 585 93 101 VAL HA H 4.056 0.000 . 586 93 101 VAL C C 175.722 0.000 . 587 93 101 VAL CA C 61.970 0.000 . 588 93 101 VAL CB C 32.464 0.000 . 589 93 101 VAL N N 121.935 0.000 . 590 94 102 GLU H H 8.6020 0.000 . 591 94 102 GLU HA H 4.314 0.000 . 592 94 102 GLU C C 175.996 0.000 . 593 94 102 GLU CA C 55.831 0.000 . 594 94 102 GLU CB C 29.926 0.000 . 595 94 102 GLU CG C 35.772 0.000 . 596 94 102 GLU N N 125.897 0.000 . 597 95 103 VAL H H 8.3830 0.000 . 598 95 103 VAL HA H 4.056 0.000 . 599 95 103 VAL C C 175.428 0.000 . 600 95 103 VAL CA C 61.878 0.000 . 601 95 103 VAL CB C 32.082 0.000 . 602 95 103 VAL N N 122.161 0.000 . 603 96 104 ASN H H 8.6560 0.000 . 604 96 104 ASN HA H 4.718 0.000 . 605 96 104 ASN C C 174.463 0.000 . 606 96 104 ASN CA C 52.613 0.000 . 607 96 104 ASN CB C 38.683 0.000 . 608 96 104 ASN N N 122.625 0.000 . 609 97 105 ASN H H 8.5470 0.000 . 610 97 105 ASN HA H 4.677 0.000 . 611 97 105 ASN C C 175.145 0.000 . 612 97 105 ASN CA C 52.900 0.000 . 613 97 105 ASN CB C 38.329 0.000 . 614 97 105 ASN N N 120.158 0.000 . 615 98 106 LEU H H 8.2680 0.000 . 616 98 106 LEU HA H 4.239 0.000 . 617 98 106 LEU C C 177.007 0.000 . 618 98 106 LEU CA C 55.220 0.000 . 619 98 106 LEU CB C 41.575 0.000 . 620 98 106 LEU CG C 26.650 0.000 . 621 98 106 LEU N N 122.051 0.000 . 622 99 107 ASP H H 8.2920 0.000 . 623 99 107 ASP HA H 4.535 0.000 . 624 99 107 ASP C C 175.631 0.000 . 625 99 107 ASP CA C 54.220 0.000 . 626 99 107 ASP CB C 40.602 0.000 . 627 99 107 ASP N N 120.031 0.000 . 628 100 108 ASN H H 8.2680 0.000 . 629 100 108 ASN HA H 4.664 0.000 . 630 100 108 ASN C C 175.127 0.000 . 631 100 108 ASN CA C 53.020 0.000 . 632 100 108 ASN CB C 38.379 0.000 . 633 100 108 ASN N N 118.457 0.000 . 634 101 109 LEU H H 8.3680 0.000 . 635 101 109 LEU HA H 4.268 0.000 . 636 101 109 LEU C C 177.096 0.000 . 637 101 109 LEU CA C 55.260 0.000 . 638 101 109 LEU CB C 41.656 0.000 . 639 101 109 LEU CG C 26.616 0.000 . 640 101 109 LEU N N 122.197 0.000 . 641 102 110 ASP H H 8.3530 0.000 . 642 102 110 ASP HA H 4.531 0.000 . 643 102 110 ASP C C 175.596 0.000 . 644 102 110 ASP CA C 53.840 0.000 . 645 102 110 ASP CB C 40.594 0.000 . 646 102 110 ASP N N 120.190 0.000 . 647 103 111 ASN H H 8.2890 0.000 . 648 103 111 ASN HA H 4.600 0.000 . 649 103 111 ASN C C 175.315 0.000 . 650 103 111 ASN CA C 52.960 0.000 . 651 103 111 ASN CB C 38.253 0.000 . 652 103 111 ASN N N 119.185 0.000 . 653 104 112 HIS H H 8.5600 0.000 . 654 104 112 HIS HA H 4.570 0.000 . 655 104 112 HIS C C 174.196 0.000 . 656 104 112 HIS CA C 55.830 0.000 . 657 104 112 HIS CB C 28.266 0.000 . 658 104 112 HIS N N 118.897 0.000 . 659 105 113 ASP H H 8.4640 0.000 . 660 105 113 ASP C C 175.854 0.000 . 661 105 113 ASP CA C 54.150 0.000 . 662 105 113 ASP CB C 40.555 0.000 . 663 105 113 ASP N N 120.595 0.000 . 664 106 114 ARG H H 8.2880 0.000 . 665 106 114 ARG HA H 4.254 0.000 . 666 106 114 ARG C C 176.055 0.000 . 667 106 114 ARG CA C 55.838 0.000 . 668 106 114 ARG CB C 30.218 0.000 . 669 106 114 ARG CG C 26.801 0.000 . 670 106 114 ARG CD C 42.933 0.000 . 671 106 114 ARG N N 121.517 0.000 . 672 107 115 LYS H H 8.4280 0.000 . 673 107 115 LYS HA H 4.222 0.000 . 674 107 115 LYS C C 176.136 0.000 . 675 107 115 LYS CA C 56.058 0.000 . 676 107 115 LYS CB C 32.538 0.000 . 677 107 115 LYS CG C 24.503 0.000 . 678 107 115 LYS CD C 28.669 0.000 . 679 107 115 LYS CE C 41.657 0.000 . 680 107 115 LYS N N 122.191 0.000 . 681 108 116 HIS H H 8.5290 0.000 . 682 108 116 HIS HA H 4.641 0.000 . 683 108 116 HIS C C 173.633 0.000 . 684 108 116 HIS CA C 54.870 0.000 . 685 108 116 HIS CB C 29.067 0.000 . 686 108 116 HIS N N 119.726 0.000 . 687 109 117 ALA H H 8.5390 0.000 . 688 109 117 ALA HA H 4.348 0.000 . 689 109 117 ALA C C 177.289 0.000 . 690 109 117 ALA CA C 51.850 0.000 . 691 109 117 ALA CB C 19.237 0.000 . 692 109 117 ALA N N 126.399 0.000 . 693 110 118 VAL H H 8.3910 0.000 . 694 110 118 VAL HA H 4.051 0.000 . 695 110 118 VAL C C 176.569 0.000 . 696 110 118 VAL CA C 62.450 0.000 . 697 110 118 VAL CB C 32.351 0.000 . 698 110 118 VAL N N 120.082 0.000 . 699 111 119 GLY H H 8.6320 0.000 . 700 111 119 GLY HA2 H 4.593 0.000 . 701 111 119 GLY HA3 H 4.593 0.000 . 702 111 119 GLY C C 173.840 0.000 . 703 111 119 GLY CA C 44.829 0.000 . 704 111 119 GLY N N 112.846 0.000 . 705 112 120 ASP H H 8.2880 0.000 . 706 112 120 ASP HA H 4.581 0.000 . 707 112 120 ASP C C 175.902 0.000 . 708 112 120 ASP CA C 54.075 0.000 . 709 112 120 ASP CB C 40.705 0.000 . 710 112 120 ASP N N 120.945 0.000 . 711 113 121 ASP H H 8.4010 0.000 . 712 113 121 ASP HA H 4.561 0.000 . 713 113 121 ASP C C 175.922 0.000 . 714 113 121 ASP CA C 54.069 0.000 . 715 113 121 ASP CB C 40.552 0.000 . 716 113 121 ASP N N 120.355 0.000 . 717 114 122 ALA H H 8.2080 0.000 . 718 114 122 ALA HA H 4.192 0.000 . 719 114 122 ALA C C 177.454 0.000 . 720 114 122 ALA CA C 52.540 0.000 . 721 114 122 ALA CB C 18.727 0.000 . 722 114 122 ALA N N 123.995 0.000 . 723 115 123 GLN H H 8.2660 0.000 . 724 115 123 GLN HA H 4.194 0.000 . 725 115 123 GLN C C 175.378 0.000 . 726 115 123 GLN CA C 55.510 0.000 . 727 115 123 GLN CB C 28.985 0.000 . 728 115 123 GLN CG C 33.321 0.000 . 729 115 123 GLN N N 118.710 0.000 . 730 116 124 PHE H H 8.1790 0.000 . 731 116 124 PHE HA H 4.612 0.000 . 732 116 124 PHE C C 175.210 0.000 . 733 116 124 PHE CA C 57.300 0.000 . 734 116 124 PHE CB C 39.289 0.000 . 735 116 124 PHE N N 120.797 0.000 . 736 117 125 GLU H H 8.3290 0.000 . 737 117 125 GLU HA H 4.222 0.000 . 738 117 125 GLU C C 175.596 0.000 . 739 117 125 GLU CA C 55.930 0.000 . 740 117 125 GLU CB C 29.854 0.000 . 741 117 125 GLU CG C 35.709 0.000 . 742 117 125 GLU N N 122.297 0.000 . 743 118 126 MET H H 8.3670 0.000 . 744 118 126 MET HA H 4.442 0.000 . 745 118 126 MET C C 175.443 0.000 . 746 118 126 MET CA C 54.960 0.000 . 747 118 126 MET CB C 33.024 0.000 . 748 118 126 MET N N 121.136 0.000 . 749 119 127 ASP H H 8.5090 0.000 . 750 119 127 ASP HA H 4.633 0.000 . 751 119 127 ASP C C 174.696 0.000 . 752 119 127 ASP CA C 54.035 0.000 . 753 119 127 ASP CB C 40.402 0.000 . 754 119 127 ASP N N 122.397 0.000 . 755 120 128 ILE H H 7.6960 0.000 . 756 120 128 ILE HA H 4.058 0.000 . 757 120 128 ILE C C 168.929 0.000 . 758 120 128 ILE CA C 62.422 0.000 . 759 120 128 ILE CB C 39.400 0.000 . 760 120 128 ILE N N 124.797 0.000 . stop_ save_