data_17048 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; AP180 aa 623-680 Backbone Assignment ; _BMRB_accession_number 17048 _BMRB_flat_file_name bmr17048.str _Entry_type original _Submission_date 2010-07-06 _Accession_date 2010-07-06 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'Backbone sequencial assignment of AP180 fragment aa 623-680 (AP180 M5)' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhuo Yue . . 2 Ilangovan Udayar P. . 3 Hinck Andrew . . 4 Lafer Eileen M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 92 "13C chemical shifts" 151 "15N chemical shifts" 45 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-05-16 update BMRB 'update entry citation' 2012-08-02 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_Zhuo_2010 _Saveframe_category entry_citation _Citation_full . _Citation_title 'Dynamic interactions between clathrin and locally structured elements in a disordered protein mediate clathrin lattice assembly.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 20875424 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Zhuo Yue . . 2 Ilangovan Udayar . . 3 Schirf Virgil . . 4 Demeler Borries . . 5 Sousa Rui . . 6 Hinck Andrew P. . 7 Lafer Eileen M. . stop_ _Journal_abbreviation 'J. Mol. Biol.' _Journal_name_full 'Journal of molecular biology' _Journal_volume 404 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 274 _Page_last 290 _Year 2010 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'AP180 M5' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'AP180 M5' $AP180_M5 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_AP180_M5 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common AP180_M5 _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 58 _Mol_residue_sequence ; ASTASPAKAESSGVIDLFGD AFGSGASETQPAPQAVSSSS ASADLLAGFGGSFMAPST ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 623 ALA 2 624 SER 3 625 THR 4 626 ALA 5 627 SER 6 628 PRO 7 629 ALA 8 630 LYS 9 631 ALA 10 632 GLU 11 633 SER 12 634 SER 13 635 GLY 14 636 VAL 15 637 ILE 16 638 ASP 17 639 LEU 18 640 PHE 19 641 GLY 20 642 ASP 21 643 ALA 22 644 PHE 23 645 GLY 24 646 SER 25 647 GLY 26 648 ALA 27 649 SER 28 650 GLU 29 651 THR 30 652 GLN 31 653 PRO 32 654 ALA 33 655 PRO 34 656 GLN 35 657 ALA 36 658 VAL 37 659 SER 38 660 SER 39 661 SER 40 662 SER 41 663 ALA 42 664 SER 43 665 ALA 44 666 ASP 45 667 LEU 46 668 LEU 47 669 ALA 48 670 GLY 49 671 PHE 50 672 GLY 51 673 GLY 52 674 SER 53 675 PHE 54 676 MET 55 677 ALA 56 678 PRO 57 679 SER 58 680 THR stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 DBJ BAC41439 "mKIAA0656 protein [Mus musculus]" 100.00 608 100.00 100.00 2.77e-25 EMBL CAA48748 "assembly protein 180 (AP180) [Rattus norvegicus]" 100.00 896 98.28 98.28 3.99e-24 EMBL CAA48749 "assembly protein 180 (AP180) + insert [Rattus norvegicus]" 100.00 915 98.28 98.28 4.96e-24 GB AAA37586 "phosphoprotein [Mus musculus]" 100.00 896 100.00 100.00 6.28e-25 GB AAA37587 "phosphoprotein [Mus musculus]" 100.00 901 100.00 100.00 6.44e-25 GB AAH31773 "Snap91 protein [Mus musculus]" 100.00 868 100.00 100.00 4.92e-25 GB AAH52454 "Snap91 protein [Mus musculus]" 100.00 627 100.00 100.00 2.65e-25 GB EDL26508 "synaptosomal-associated protein 91, isoform CRA_a [Mus musculus]" 100.00 901 100.00 100.00 6.44e-25 REF NP_001264911 "clathrin coat assembly protein AP180 isoform 3 [Mus musculus]" 100.00 868 100.00 100.00 4.92e-25 REF NP_001264915 "clathrin coat assembly protein AP180 isoform 2 [Mus musculus]" 100.00 896 100.00 100.00 6.28e-25 REF NP_038697 "clathrin coat assembly protein AP180 isoform 1 [Mus musculus]" 100.00 901 100.00 100.00 6.44e-25 REF NP_113916 "clathrin coat assembly protein AP180 [Rattus norvegicus]" 100.00 915 98.28 98.28 4.96e-24 REF XP_006243553 "PREDICTED: clathrin coat assembly protein AP180 isoform X1 [Rattus norvegicus]" 100.00 904 98.28 98.28 3.87e-24 SP Q05140 "RecName: Full=Clathrin coat assembly protein AP180; AltName: Full=91 kDa synaptosomal-associated protein; AltName: Full=Clathri" 100.00 915 98.28 98.28 4.96e-24 SP Q61548 "RecName: Full=Clathrin coat assembly protein AP180; AltName: Full=91 kDa synaptosomal-associated protein; AltName: Full=Clathri" 100.00 901 100.00 100.00 6.44e-25 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $AP180_M5 Mouse 10090 Eukaryota Metazoa Mus musculus 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 $AP180_M5 'recombinant technology' . Escherichia coli 'BL21 (DE3) plysS' pGEX-4T-1 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 $AP180_M5 . uM 300 500 '[U-13C; U-15N]' 'disodium phosphate' 25 mM . . 'natural abundance' 'sodium chloride' 50 mM . . 'natural abundance' 'sodium azide' 0.2 % . . 'natural abundance' H2O 95 % . . 'natural abundance' D2O 5 % . . 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 500 _Details 'Traditional probe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details Cryo-probe 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_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _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_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_AP180_M5_Sample_Conditions _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 125 . mM pH 7.0 . pH pressure 1 . atm temperature 300 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_Chemical_Shift_Reference _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 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na 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_AP180_M5_Backbone_Assigned_Chem_Shift_List _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $AP180_M5_Sample_Conditions _Chem_shift_reference_set_label $Chemical_Shift_Reference _Mol_system_component_name 'AP180 M5' _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 1 623 1 ALA C C 176.52 0.1 1 2 623 1 ALA CA C 52.63 0.1 1 3 623 1 ALA CB C 19.22 0.1 1 4 624 2 SER C C 172.88 0.1 1 5 624 2 SER CA C 55.73 0.1 1 6 624 2 SER CB C 64.39 0.1 1 7 625 3 THR C C 174.17 0.1 1 8 625 3 THR CA C 61.76 0.1 1 9 625 3 THR CB C 69.65 0.1 1 10 626 4 ALA H H 8.21 0.05 1 11 626 4 ALA HA H 4.37 0.05 1 12 626 4 ALA C C 177.38 0.1 1 13 626 4 ALA CA C 52.47 0.1 1 14 626 4 ALA CB C 19.35 0.1 1 15 626 4 ALA N N 126.39 0.2 1 16 627 5 SER H H 8.27 0.05 1 17 627 5 SER HA H 4.73 0.05 1 18 627 5 SER CA C 56.50 0.1 1 19 627 5 SER CB C 63.46 0.1 1 20 627 5 SER N N 116.81 0.2 1 21 628 6 PRO C C 174.25 0.1 1 22 628 6 PRO CA C 63.31 0.1 1 23 628 6 PRO CB C 32.06 0.1 1 24 629 7 ALA H H 8.31 0.05 1 25 629 7 ALA HA H 4.63 0.05 1 26 629 7 ALA C C 177.70 0.1 1 27 629 7 ALA CA C 52.48 0.1 1 28 629 7 ALA CB C 19.07 0.1 1 29 629 7 ALA N N 124.32 0.2 1 30 630 8 LYS H H 8.23 0.05 1 31 630 8 LYS HA H 4.28 0.05 1 32 630 8 LYS C C 176.25 0.1 1 33 630 8 LYS CA C 56.19 0.1 1 34 630 8 LYS CB C 33.28 0.1 1 35 630 8 LYS N N 120.89 0.2 1 36 631 9 ALA H H 8.35 0.05 1 37 631 9 ALA HA H 4.35 0.05 1 38 631 9 ALA C C 177.78 0.1 1 39 631 9 ALA CA C 52.48 0.1 1 40 631 9 ALA CB C 19.07 0.1 1 41 631 9 ALA N N 125.87 0.2 1 42 632 10 GLU H H 8.45 0.05 1 43 632 10 GLU HA H 4.29 0.05 1 44 632 10 GLU C C 176.70 0.1 1 45 632 10 GLU CA C 56.81 0.1 1 46 632 10 GLU CB C 30.20 0.1 1 47 632 10 GLU N N 120.51 0.2 1 48 633 11 SER H H 8.32 0.05 1 49 633 11 SER CA C 58.36 0.1 1 50 633 11 SER CB C 63.93 0.1 1 51 633 11 SER N N 116.63 0.2 1 52 634 12 SER C C 174.97 0.1 1 53 634 12 SER CA C 58.67 0.1 1 54 634 12 SER CB C 63.93 0.1 1 55 635 13 GLY H H 8.40 0.05 1 56 635 13 GLY HA2 H 3.94 0.05 1 57 635 13 GLY HA3 H 3.94 0.05 1 58 635 13 GLY C C 173.86 0.1 1 59 635 13 GLY CA C 45.67 0.1 1 60 635 13 GLY N N 110.92 0.2 1 61 636 14 VAL H H 7.95 0.05 1 62 636 14 VAL HA H 4.13 0.05 1 63 636 14 VAL C C 176.13 0.1 1 64 636 14 VAL CA C 62.53 0.1 1 65 636 14 VAL CB C 32.84 0.1 1 66 636 14 VAL N N 119.73 0.2 1 67 637 15 ILE H H 8.16 0.05 1 68 637 15 ILE HA H 4.17 0.05 1 69 637 15 ILE C C 175.62 0.1 1 70 637 15 ILE CA C 61.14 0.1 1 71 637 15 ILE CB C 39.02 0.1 1 72 637 15 ILE N N 124.64 0.2 1 73 638 16 ASP H H 8.33 0.05 1 74 638 16 ASP HA H 4.59 0.05 1 75 638 16 ASP C C 176.00 0.1 1 76 638 16 ASP CA C 54.18 0.1 1 77 638 16 ASP CB C 41.31 0.1 1 78 638 16 ASP N N 124.82 0.2 1 79 639 17 LEU H H 8.10 0.05 1 80 639 17 LEU HA H 4.16 0.05 1 81 639 17 LEU C C 177.22 0.1 1 82 639 17 LEU CA C 55.73 0.1 1 83 639 17 LEU CB C 42.26 0.1 1 84 639 17 LEU N N 123.25 0.2 1 85 640 18 PHE H H 8.21 0.05 1 86 640 18 PHE HA H 4.64 0.05 1 87 640 18 PHE C C 176.42 0.1 1 88 640 18 PHE CA C 57.89 0.1 1 89 640 18 PHE CB C 39.64 0.1 1 90 640 18 PHE N N 119.34 0.2 1 91 641 19 GLY H H 8.17 0.05 1 92 641 19 GLY HA2 H 3.93 0.05 1 93 641 19 GLY HA3 H 3.93 0.05 1 94 641 19 GLY C C 173.99 0.1 1 95 641 19 GLY CA C 45.69 0.1 1 96 641 19 GLY N N 109.83 0.2 1 97 642 20 ASP H H 8.22 0.05 1 98 642 20 ASP HA H 4.58 0.05 1 99 642 20 ASP C C 176.39 0.1 1 100 642 20 ASP CA C 54.49 0.1 1 101 642 20 ASP CB C 41.50 0.1 1 102 642 20 ASP N N 120.71 0.2 1 103 643 21 ALA H H 8.21 0.05 1 104 643 21 ALA HA H 4.23 0.05 1 105 643 21 ALA C C 177.77 0.1 1 106 643 21 ALA CA C 52.94 0.1 1 107 643 21 ALA CB C 18.76 0.1 1 108 643 21 ALA N N 123.84 0.2 1 109 644 22 PHE H H 8.16 0.05 1 110 644 22 PHE HA H 4.57 0.05 1 111 644 22 PHE C C 176.60 0.1 1 112 644 22 PHE CA C 58.20 0.1 1 113 644 22 PHE CB C 39.49 0.1 1 114 644 22 PHE N N 118.60 0.2 1 115 645 23 GLY H H 8.20 0.05 1 116 645 23 GLY HA2 H 3.95 0.05 1 117 645 23 GLY HA3 H 3.95 0.05 1 118 645 23 GLY C C 174.41 0.1 1 119 645 23 GLY CA C 45.67 0.1 1 120 645 23 GLY N N 110.34 0.2 1 121 646 24 SER H H 8.27 0.05 1 122 646 24 SER HA H 4.45 0.05 1 123 646 24 SER C C 175.25 0.1 1 124 646 24 SER CA C 58.82 0.1 1 125 646 24 SER CB C 64.08 0.1 1 126 646 24 SER N N 115.86 0.2 1 127 647 25 GLY H H 8.49 0.05 1 128 647 25 GLY HA2 H 3.94 0.05 1 129 647 25 GLY C C 173.98 0.1 1 130 647 25 GLY CA C 45.52 0.1 1 131 647 25 GLY N N 111.12 0.2 1 132 648 26 ALA H H 8.11 0.05 1 133 648 26 ALA HA H 4.37 0.05 1 134 648 26 ALA C C 177.84 0.1 1 135 648 26 ALA CA C 52.48 0.1 1 136 648 26 ALA CB C 19.20 0.1 1 137 648 26 ALA N N 123.88 0.2 1 138 649 27 SER H H 8.29 0.05 1 139 649 27 SER HA H 4.43 0.05 1 140 649 27 SER C C 174.68 0.1 1 141 649 27 SER CA C 58.67 0.1 1 142 649 27 SER CB C 63.93 0.1 1 143 649 27 SER N N 115.12 0.2 1 144 650 28 GLU H H 8.45 0.05 1 145 650 28 GLU HA H 4.36 0.05 1 146 650 28 GLU C C 176.64 0.1 1 147 650 28 GLU CA C 56.97 0.1 1 148 650 28 GLU CB C 30.36 0.1 1 149 650 28 GLU N N 122.69 0.2 1 150 651 29 THR H H 8.16 0.05 1 151 651 29 THR HA H 4.34 0.05 1 152 651 29 THR CA C 61.91 0.1 1 153 651 29 THR CB C 69.96 0.1 1 154 651 29 THR N N 115.09 0.2 1 155 652 30 GLN H H 8.32 0.05 1 156 652 30 GLN HA H 4.63 0.05 1 157 652 30 GLN C C 177.67 0.1 1 158 652 30 GLN CA C 53.72 0.1 1 159 652 30 GLN CB C 28.97 0.1 1 160 652 30 GLN N N 124.06 0.2 1 161 653 31 PRO C C 176.22 0.1 1 162 653 31 PRO CA C 62.53 0.1 1 163 653 31 PRO CB C 34.23 0.1 1 164 654 32 ALA H H 8.39 0.05 1 165 654 32 ALA HA H 4.57 0.05 1 166 654 32 ALA CA C 50.78 0.1 1 167 654 32 ALA CB C 17.98 0.1 1 168 654 32 ALA N N 125.81 0.2 1 169 655 33 PRO C C 176.99 0.1 1 170 655 33 PRO CA C 63.31 0.1 1 171 655 33 PRO CB C 32.06 0.1 1 172 656 34 GLN H H 8.41 0.05 1 173 656 34 GLN HA H 4.28 0.05 1 174 656 34 GLN CA C 55.88 0.1 1 175 656 34 GLN CB C 29.74 0.1 1 176 656 34 GLN N N 120.39 0.2 1 177 657 35 ALA H H 8.33 0.05 1 178 657 35 ALA HA H 4.34 0.05 1 179 657 35 ALA C C 177.67 0.1 1 180 657 35 ALA CA C 52.63 0.1 1 181 657 35 ALA CB C 19.07 0.1 1 182 657 35 ALA N N 125.83 0.2 1 183 658 36 VAL H H 8.13 0.05 1 184 658 36 VAL HA H 4.16 0.05 1 185 658 36 VAL C C 176.31 0.1 1 186 658 36 VAL CA C 62.23 0.1 1 187 658 36 VAL CB C 33.14 0.1 1 188 658 36 VAL N N 119.45 0.2 1 189 659 37 SER H H 8.40 0.05 1 190 659 37 SER CA C 58.20 0.1 1 191 659 37 SER CB C 64.08 0.1 1 192 659 37 SER N N 119.49 0.2 1 193 663 41 ALA C C 177.90 0.1 1 194 663 41 ALA CA C 52.79 0.1 1 195 663 41 ALA CB C 19.22 0.1 1 196 664 42 SER H H 8.16 0.05 1 197 664 42 SER HA H 4.40 0.05 1 198 664 42 SER C C 174.77 0.1 1 199 664 42 SER CA C 58.82 0.1 1 200 664 42 SER CB C 63.93 0.1 1 201 664 42 SER N N 114.84 0.2 1 202 665 43 ALA H H 8.28 0.05 1 203 665 43 ALA HA H 4.25 0.05 1 204 665 43 ALA C C 177.90 0.1 1 205 665 43 ALA CA C 53.25 0.1 1 206 665 43 ALA CB C 18.91 0.1 1 207 665 43 ALA N N 125.99 0.2 1 208 666 44 ASP H H 8.19 0.05 1 209 666 44 ASP HA H 4.52 0.05 1 210 666 44 ASP CA C 54.95 0.1 1 211 666 44 ASP CB C 41.03 0.1 1 212 666 44 ASP N N 118.81 0.2 1 213 667 45 LEU H H 7.99 0.05 1 214 667 45 LEU HA H 4.25 0.05 1 215 667 45 LEU C C 177.93 0.1 1 216 667 45 LEU CA C 56.04 0.1 1 217 667 45 LEU CB C 42.27 0.1 1 218 667 45 LEU N N 122.30 0.2 1 219 668 46 LEU H H 8.05 0.05 1 220 668 46 LEU HA H 4.29 0.05 1 221 668 46 LEU C C 177.52 0.1 1 222 668 46 LEU CA C 55.88 0.1 1 223 668 46 LEU CB C 42.12 0.1 1 224 668 46 LEU N N 121.12 0.2 1 225 669 47 ALA H H 7.95 0.05 1 226 669 47 ALA HA H 4.24 0.05 1 227 669 47 ALA C C 178.27 0.1 1 228 669 47 ALA CA C 53.10 0.1 1 229 669 47 ALA CB C 18.91 0.1 1 230 669 47 ALA N N 123.66 0.2 1 231 670 48 GLY H H 8.13 0.05 1 232 670 48 GLY HA2 H 3.85 0.05 1 233 670 48 GLY HA3 H 3.85 0.05 1 234 670 48 GLY C C 174.21 0.1 1 235 670 48 GLY CA C 45.36 0.1 1 236 670 48 GLY N N 107.42 0.2 1 237 671 49 PHE H H 8.05 0.05 1 238 671 49 PHE HA H 4.62 0.05 1 239 671 49 PHE C C 176.52 0.1 1 240 671 49 PHE CA C 58.05 0.1 1 241 671 49 PHE CB C 39.64 0.1 1 242 671 49 PHE N N 119.98 0.2 1 243 672 50 GLY H H 8.40 0.05 1 244 672 50 GLY HA2 H 3.93 0.05 1 245 672 50 GLY HA3 H 3.93 0.05 1 246 672 50 GLY C C 174.66 0.1 1 247 672 50 GLY CA C 45.50 0.1 1 248 672 50 GLY N N 110.95 0.2 1 249 673 51 GLY H H 7.96 0.05 1 250 673 51 GLY HA2 H 3.94 0.05 1 251 673 51 GLY HA3 H 3.94 0.05 1 252 673 51 GLY C C 174.13 0.1 1 253 673 51 GLY CA C 45.45 0.1 1 254 673 51 GLY N N 108.39 0.2 1 255 674 52 SER C C 174.10 0.1 1 256 674 52 SER CA C 58.13 0.1 1 257 674 52 SER CB C 63.85 0.1 1 258 675 53 PHE H H 8.20 0.05 1 259 675 53 PHE HA H 4.64 0.05 1 260 675 53 PHE C C 175.28 0.1 1 261 675 53 PHE CA C 58.13 0.1 1 262 675 53 PHE CB C 39.72 0.1 1 263 675 53 PHE N N 122.20 0.2 1 264 676 54 MET H H 8.06 0.05 1 265 676 54 MET C C 174.90 0.1 1 266 676 54 MET CA C 54.95 0.1 1 267 676 54 MET CB C 33.30 0.1 1 268 676 54 MET N N 122.42 0.2 1 269 677 55 ALA H H 8.17 0.05 1 270 677 55 ALA C C 179.24 0.1 1 271 677 55 ALA CA C 50.62 0.1 1 272 677 55 ALA CB C 18.14 0.1 1 273 677 55 ALA N N 126.88 0.2 1 274 678 56 PRO C C 177.03 0.1 1 275 678 56 PRO CA C 63.08 0.1 1 276 678 56 PRO CB C 31.98 0.1 1 277 679 57 SER H H 8.45 0.05 1 278 679 57 SER HA H 4.47 0.05 1 279 679 57 SER C C 175.09 0.1 1 280 679 57 SER CA C 58.36 0.1 1 281 679 57 SER CB C 63.93 0.1 1 282 679 57 SER N N 116.19 0.2 1 283 680 58 THR H H 8.16 0.05 1 284 680 58 THR HA H 4.33 0.05 1 285 680 58 THR C C 174.46 0.1 1 286 680 58 THR CA C 62.23 0.1 1 287 680 58 THR CB C 69.96 0.1 1 288 680 58 THR N N 115.64 0.2 1 stop_ save_