data_27812 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for the intrinsically disordered NHE1 distal tail phosphorylated at six sites by ERK2 ; _BMRB_accession_number 27812 _BMRB_flat_file_name bmr27812.str _Entry_type original _Submission_date 2019-03-01 _Accession_date 2019-03-01 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'pSer693, pSer723, pSer726, pSer771, pThr779, pSer785' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hendus-Altenburger Ruth . . 2 Kragelund Birthe B. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 114 "13C chemical shifts" 386 "15N chemical shifts" 114 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2019-04-03 original BMRB . stop_ loop_ _Related_BMRB_accession_number _Relationship 26755 'Backbone 1H, 13C, and 15N Chemical Shift Assignments for the intrinsically disordered NHE1 distal tail' stop_ _Original_release_date 2019-03-01 save_ ############################# # Citation for this entry # ############################# save_Citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; The human Na(+)/H(+) exchanger 1 is a membrane scaffold protein for extracellular signal-regulated kinase 2 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27083547 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hendus-Altenburger Ruth . . 2 Pedraz-Cuesta Elena . . 3 Olesen Christina W. . 4 Papaleo Elena . . 5 Schnell Jeff A. . 6 Hoppner Jonathan T. . 7 Robinson Carol V. . 8 Pedersen Stine F. . 9 Kragelund Birthe B. . stop_ _Journal_abbreviation 'BMC Biol.' _Journal_volume 14 _Journal_issue 31 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year 2016 _Details . loop_ _Keyword 'Intrinsically disordered protein' MAPK NHE1 Phosphorylation Scaffold stop_ save_ ####################################### # Cited references within the entry # ####################################### save_Citation_2 _Saveframe_category citation _Citation_full . _Citation_title ; A phosphorylation-motif for tuneable helix stabilisation in intrinsically disordered proteins - Lessons from the sodium proton exchanger 1 (NHE1) ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 28554535 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hendus-Altenburger Ruth . . 2 Lambrughi Matteo . . 3 Terkelsen Tilde . . 4 Pedersen Stine F. . 5 Papaleo Elena . . 6 Lindorff-Larsen Kresten . . 7 Kragelund Birthe B. . stop_ _Journal_abbreviation 'Cell Signal' _Journal_name_full . _Journal_volume 37 _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 40 _Page_last 51 _Year 2017 _Details . loop_ _Keyword 'Intrinsically disordered protein' Phospho-cap Phosphorylation SLiM stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NHE1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NHE1 $NHE1 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_NHE1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NHE1 _Molecular_mass . _Mol_thiol_state 'all free' loop_ _Biological_function 'Proton transport' stop_ _Details 'Phosphorylation at S693, S723, S726, S771, T779, S785' ############################## # Polymer residue sequence # ############################## _Residue_count 137 _Mol_residue_sequence ; MINNYLTVPAHKLDXPTMSR ARIGSDPLAYEPKEDLPVIT IDPAXPQXPESVDLVNEELK GKVLGLSRDPAKVAEEDEDD DGGIMMRSKETSXPGTDDVF XPAPSDXPSSQRIQRCLSDP GPHPEPGEGEPFFPKGQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 679 MET 2 680 ILE 3 681 ASN 4 682 ASN 5 683 TYR 6 684 LEU 7 685 THR 8 686 VAL 9 687 PRO 10 688 ALA 11 689 HIS 12 690 LYS 13 691 LEU 14 692 ASP 15 693 SEP 16 694 PRO 17 695 THR 18 696 MET 19 697 SER 20 698 ARG 21 699 ALA 22 700 ARG 23 701 ILE 24 702 GLY 25 703 SER 26 704 ASP 27 705 PRO 28 706 LEU 29 707 ALA 30 708 TYR 31 709 GLU 32 710 PRO 33 711 LYS 34 712 GLU 35 713 ASP 36 714 LEU 37 715 PRO 38 716 VAL 39 717 ILE 40 718 THR 41 719 ILE 42 720 ASP 43 721 PRO 44 722 ALA 45 723 SEP 46 724 PRO 47 725 GLN 48 726 SEP 49 727 PRO 50 728 GLU 51 729 SER 52 730 VAL 53 731 ASP 54 732 LEU 55 733 VAL 56 734 ASN 57 735 GLU 58 736 GLU 59 737 LEU 60 738 LYS 61 739 GLY 62 740 LYS 63 741 VAL 64 742 LEU 65 743 GLY 66 744 LEU 67 745 SER 68 746 ARG 69 747 ASP 70 748 PRO 71 749 ALA 72 750 LYS 73 751 VAL 74 752 ALA 75 753 GLU 76 754 GLU 77 755 ASP 78 756 GLU 79 757 ASP 80 758 ASP 81 759 ASP 82 760 GLY 83 761 GLY 84 762 ILE 85 763 MET 86 764 MET 87 765 ARG 88 766 SER 89 767 LYS 90 768 GLU 91 769 THR 92 770 SER 93 771 SEP 94 772 PRO 95 773 GLY 96 774 THR 97 775 ASP 98 776 ASP 99 777 VAL 100 778 PHE 101 779 TPO 102 780 PRO 103 781 ALA 104 782 PRO 105 783 SER 106 784 ASP 107 785 SEP 108 786 PRO 109 787 SER 110 788 SER 111 789 GLN 112 790 ARG 113 791 ILE 114 792 GLN 115 793 ARG 116 794 CYS 117 795 LEU 118 796 SER 119 797 ASP 120 798 PRO 121 799 GLY 122 800 PRO 123 801 HIS 124 802 PRO 125 803 GLU 126 804 PRO 127 805 GLY 128 806 GLU 129 807 GLY 130 808 GLU 131 809 PRO 132 810 PHE 133 811 PHE 134 812 PRO 135 813 LYS 136 814 GLY 137 815 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ###################### # Polymer residues # ###################### save_chem_comp_SEP _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common PHOSPHOSERINE _BMRB_code SEP _PDB_code SEP _Standard_residue_derivative . _Molecular_mass 185.072 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? OG OG O . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB2 HB2 H . 0 . ? HB3 HB3 H . 0 . ? HXT HXT H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB OG ? ? SING CB HB2 ? ? SING CB HB3 ? ? SING OG P ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? stop_ save_ save_chem_comp_TPO _Saveframe_category polymer_residue _Mol_type 'L-PEPTIDE LINKING' _Name_common PHOSPHOTHREONINE _BMRB_code TPO _PDB_code TPO _Standard_residue_derivative . _Molecular_mass 199.099 _Mol_paramagnetic . _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons N N N . 0 . ? CA CA C . 0 . ? CB CB C . 0 . ? CG2 CG2 C . 0 . ? OG1 OG1 O . 0 . ? P P P . 0 . ? O1P O1P O . 0 . ? O2P O2P O . 0 . ? O3P O3P O . 0 . ? C C C . 0 . ? O O O . 0 . ? OXT OXT O . 0 . ? H H H . 0 . ? H2 H2 H . 0 . ? HA HA H . 0 . ? HB HB H . 0 . ? HG21 HG21 H . 0 . ? HG22 HG22 H . 0 . ? HG23 HG23 H . 0 . ? HOP2 HOP2 H . 0 . ? HOP3 HOP3 H . 0 . ? HXT HXT H . 0 . ? stop_ loop_ _Bond_order _Bond_atom_one_atom_name _Bond_atom_two_atom_name _PDB_bond_atom_one_atom_name _PDB_bond_atom_two_atom_name SING N CA ? ? SING N H ? ? SING N H2 ? ? SING CA CB ? ? SING CA C ? ? SING CA HA ? ? SING CB CG2 ? ? SING CB OG1 ? ? SING CB HB ? ? SING CG2 HG21 ? ? SING CG2 HG22 ? ? SING CG2 HG23 ? ? SING OG1 P ? ? DOUB P O1P ? ? SING P O2P ? ? SING P O3P ? ? SING O2P HOP2 ? ? SING O3P HOP3 ? ? DOUB C O ? ? SING C OXT ? ? SING OXT HXT ? ? stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain _Variant $NHE1 Human 9606 Eukaryota Metazoa Homo sapiens BL21 'Codon Plus' stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Variant _Vector_name $NHE1 'recombinant technology' . Escherichia coli BL21 'Codon Plus' pET11a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $NHE1 400 uM '[U-13C; U-15N]' PBS 150 mM 'natural abundance' DTT 10 mM 'natural abundance' DSS 500 uM 'natural abundance' D2O 10 % '[U-99% 2H]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_2 _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_HNCO_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _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 7.2 . pH pressure 1 . atm temperature 273 . 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 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_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $NMRPipe stop_ loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCO' '3D CBCA(CO)NH' '3D HNCACB' '3D HN(CA)CO' 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 NHE1 _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 1 680 2 ILE C C 175.518 0.011 1 2 680 2 ILE CA C 61.180 0.023 1 3 680 2 ILE CB C 38.744 0.027 1 4 681 3 ASN H H 8.665 0.001 1 5 681 3 ASN C C 174.655 0.004 1 6 681 3 ASN CA C 52.996 0.021 1 7 681 3 ASN CB C 38.917 0.009 1 8 681 3 ASN N N 123.348 0.034 1 9 682 4 ASN H H 8.508 0.002 1 10 682 4 ASN C C 174.946 0.006 1 11 682 4 ASN CA C 53.191 0.058 1 12 682 4 ASN CB C 38.780 0.052 1 13 682 4 ASN N N 120.211 0.048 1 14 683 5 TYR H H 8.208 0.002 1 15 683 5 TYR C C 175.687 0.015 1 16 683 5 TYR CA C 58.047 0.007 1 17 683 5 TYR CB C 38.307 0.057 1 18 683 5 TYR N N 120.261 0.274 1 19 684 6 LEU H H 8.103 0.001 1 20 684 6 LEU C C 177.297 0.010 1 21 684 6 LEU CA C 55.101 0.024 1 22 684 6 LEU CB C 42.372 0.044 1 23 684 6 LEU N N 122.903 0.006 1 24 685 7 THR H H 8.148 0.001 1 25 685 7 THR C C 174.201 0.018 1 26 685 7 THR CA C 61.869 0.004 1 27 685 7 THR CB C 69.708 0.027 1 28 685 7 THR N N 115.882 0.239 1 29 686 8 VAL H H 8.261 0.002 1 30 686 8 VAL C C 174.120 0.000 1 31 686 8 VAL CA C 59.786 0.000 1 32 686 8 VAL CB C 32.670 0.000 1 33 686 8 VAL N N 124.962 0.227 1 34 687 9 PRO C C 176.574 0.002 1 35 687 9 PRO CA C 63.014 0.001 1 36 687 9 PRO CB C 32.196 0.024 1 37 688 10 ALA H H 8.501 0.002 1 38 688 10 ALA C C 177.638 0.015 1 39 688 10 ALA CA C 52.559 0.023 1 40 688 10 ALA CB C 19.179 0.028 1 41 688 10 ALA N N 124.467 0.028 1 42 689 11 HIS H H 8.306 0.011 1 43 689 11 HIS C C 174.940 0.044 1 44 689 11 HIS CA C 55.888 0.195 1 45 689 11 HIS CB C 30.604 0.011 1 46 689 11 HIS N N 118.460 0.191 1 47 690 12 LYS H H 8.489 0.010 1 48 690 12 LYS C C 176.440 0.103 1 49 690 12 LYS CA C 55.852 0.296 1 50 690 12 LYS CB C 33.432 0.407 1 51 690 12 LYS N N 124.022 0.218 1 52 691 13 LEU H H 8.518 0.010 1 53 691 13 LEU C C 177.158 0.000 1 54 691 13 LEU CA C 55.176 0.010 1 55 691 13 LEU CB C 42.226 0.016 1 56 691 13 LEU N N 124.536 0.291 1 57 692 14 ASP H H 8.380 0.003 1 58 692 14 ASP C C 176.011 0.011 1 59 692 14 ASP CA C 54.144 0.019 1 60 692 14 ASP CB C 40.938 0.123 1 61 692 14 ASP N N 120.778 0.237 1 62 693 15 SEP H H 8.586 0.010 1 63 693 15 SEP C C 173.718 0.000 1 64 693 15 SEP CA C 55.924 0.000 1 65 693 15 SEP CB C 65.147 0.000 1 66 693 15 SEP N N 118.225 0.232 1 67 694 16 PRO C C 177.651 0.020 1 68 694 16 PRO CA C 64.143 0.023 1 69 694 16 PRO CB C 32.137 0.000 1 70 695 17 THR H H 8.238 0.004 1 71 695 17 THR C C 175.282 0.016 1 72 695 17 THR CA C 63.378 0.010 1 73 695 17 THR CB C 68.852 0.035 1 74 695 17 THR N N 114.021 0.014 1 75 696 18 MET H H 8.277 0.002 1 76 696 18 MET C C 176.684 0.035 1 77 696 18 MET CA C 55.959 0.268 1 78 696 18 MET CB C 32.292 0.179 1 79 696 18 MET N N 122.166 0.277 1 80 697 19 SER H H 8.442 0.008 1 81 697 19 SER C C 175.099 0.000 1 82 697 19 SER CA C 59.053 0.005 1 83 697 19 SER CB C 63.370 0.168 1 84 697 19 SER N N 117.198 0.357 1 85 698 20 ARG H H 8.408 0.002 1 86 698 20 ARG C C 176.304 0.001 1 87 698 20 ARG CA C 56.326 0.008 1 88 698 20 ARG CB C 30.583 0.016 1 89 698 20 ARG N N 123.056 0.009 1 90 699 21 ALA H H 8.240 0.001 1 91 699 21 ALA C C 177.777 0.009 1 92 699 21 ALA CA C 52.688 0.010 1 93 699 21 ALA CB C 19.110 0.019 1 94 699 21 ALA N N 124.490 0.035 1 95 700 22 ARG H H 8.319 0.001 1 96 700 22 ARG C C 176.515 0.008 1 97 700 22 ARG CA C 56.059 0.004 1 98 700 22 ARG CB C 30.773 0.005 1 99 700 22 ARG N N 120.574 0.017 1 100 701 23 ILE H H 8.331 0.001 1 101 701 23 ILE C C 176.968 0.002 1 102 701 23 ILE CA C 61.430 0.005 1 103 701 23 ILE CB C 38.568 0.011 1 104 701 23 ILE N N 123.108 0.235 1 105 702 24 GLY H H 8.631 0.001 1 106 702 24 GLY C C 174.029 0.014 1 107 702 24 GLY CA C 45.209 0.002 1 108 702 24 GLY N N 113.487 0.015 1 109 703 25 SER H H 8.239 0.002 1 110 703 25 SER C C 173.996 0.004 1 111 703 25 SER CA C 58.138 0.016 1 112 703 25 SER CB C 63.980 0.017 1 113 703 25 SER N N 115.378 0.206 1 114 704 26 ASP H H 8.476 0.001 1 115 704 26 ASP C C 174.958 0.000 1 116 704 26 ASP CA C 52.237 0.000 1 117 704 26 ASP CB C 41.095 0.000 1 118 704 26 ASP N N 123.670 0.022 1 119 705 27 PRO C C 177.289 0.003 1 120 705 27 PRO CA C 63.534 0.001 1 121 705 27 PRO CB C 32.165 0.019 1 122 706 28 LEU H H 8.396 0.001 1 123 706 28 LEU C C 177.353 0.000 1 124 706 28 LEU CA C 54.939 0.029 1 125 706 28 LEU CB C 41.646 0.020 1 126 706 28 LEU N N 120.670 0.004 1 127 707 29 ALA H H 7.975 0.001 1 128 707 29 ALA C C 177.058 0.009 1 129 707 29 ALA CA C 52.414 0.082 1 130 707 29 ALA CB C 19.239 0.083 1 131 707 29 ALA N N 123.974 0.008 1 132 708 30 TYR H H 8.098 0.001 1 133 708 30 TYR C C 175.146 0.002 1 134 708 30 TYR CA C 57.511 0.013 1 135 708 30 TYR CB C 38.929 0.008 1 136 708 30 TYR N N 119.794 0.222 1 137 709 31 GLU H H 8.212 0.000 1 138 709 31 GLU C C 173.585 0.000 1 139 709 31 GLU CA C 53.551 0.000 1 140 709 31 GLU CB C 30.267 0.000 1 141 709 31 GLU N N 125.545 0.005 1 142 711 33 LYS C C 176.783 0.000 1 143 711 33 LYS CB C 32.043 0.000 1 144 712 34 GLU H H 8.591 0.034 1 145 712 34 GLU C C 175.949 0.000 1 146 712 34 GLU CA C 56.117 0.000 1 147 712 34 GLU CB C 30.618 0.000 1 148 712 34 GLU N N 122.300 0.332 1 149 713 35 ASP H H 8.553 0.002 1 150 713 35 ASP C C 175.746 0.033 1 151 713 35 ASP CA C 54.091 0.000 1 152 713 35 ASP CB C 41.054 0.000 1 153 713 35 ASP N N 122.662 0.297 1 154 714 36 LEU H H 8.267 0.002 1 155 714 36 LEU C C 175.179 0.000 1 156 714 36 LEU N N 124.158 0.034 1 157 715 37 PRO C C 176.662 0.000 1 158 715 37 PRO CA C 62.848 0.004 1 159 715 37 PRO CB C 32.085 0.014 1 160 716 38 VAL H H 8.427 0.002 1 161 716 38 VAL C C 176.309 0.002 1 162 716 38 VAL CA C 62.396 0.040 1 163 716 38 VAL CB C 32.818 0.006 1 164 716 38 VAL N N 121.946 0.203 1 165 717 39 ILE H H 8.468 0.003 1 166 717 39 ILE C C 176.262 0.001 1 167 717 39 ILE CA C 60.557 0.035 1 168 717 39 ILE CB C 38.654 0.008 1 169 717 39 ILE N N 127.045 0.288 1 170 718 40 THR H H 8.502 0.002 1 171 718 40 THR C C 173.959 0.014 1 172 718 40 THR CA C 61.654 0.035 1 173 718 40 THR CB C 69.793 0.033 1 174 718 40 THR N N 121.554 0.275 1 175 719 41 ILE H H 8.414 0.001 1 176 719 41 ILE C C 175.619 0.012 1 177 719 41 ILE CA C 60.481 0.028 1 178 719 41 ILE CB C 38.909 0.002 1 179 719 41 ILE N N 124.913 0.012 1 180 720 42 ASP H H 8.640 0.001 1 181 720 42 ASP C C 174.258 0.000 1 182 720 42 ASP CA C 52.524 0.000 1 183 720 42 ASP CB C 40.603 0.000 1 184 720 42 ASP N N 127.450 0.008 1 185 721 43 PRO C C 176.525 0.006 1 186 721 43 PRO CA C 62.937 0.019 1 187 721 43 PRO CB C 32.131 0.006 1 188 722 44 ALA H H 8.445 0.001 1 189 722 44 ALA C C 177.614 0.010 1 190 722 44 ALA CA C 52.135 0.033 1 191 722 44 ALA CB C 19.542 0.023 1 192 722 44 ALA N N 124.777 0.017 1 193 723 45 SEP H H 8.847 0.005 1 194 723 45 SEP C C 172.340 0.000 1 195 723 45 SEP CA C 55.885 0.000 1 196 723 45 SEP CB C 64.551 0.000 1 197 723 45 SEP N N 118.842 0.245 1 198 724 46 PRO C C 176.842 0.007 1 199 724 46 PRO CA C 62.946 0.313 1 200 724 46 PRO CB C 32.095 0.023 1 201 725 47 GLN H H 8.661 0.005 1 202 725 47 GLN C C 175.930 0.017 1 203 725 47 GLN CA C 55.069 0.012 1 204 725 47 GLN CB C 30.235 0.013 1 205 725 47 GLN N N 121.830 0.129 1 206 726 48 SEP H H 8.987 0.008 1 207 726 48 SEP C C 172.268 0.000 1 208 726 48 SEP CA C 56.162 0.000 1 209 726 48 SEP CB C 64.542 0.000 1 210 726 48 SEP N N 120.796 0.070 1 211 727 49 PRO C C 177.020 0.000 1 212 727 49 PRO CA C 63.306 0.019 1 213 727 49 PRO CB C 32.181 0.028 1 214 728 50 GLU H H 8.711 0.001 1 215 728 50 GLU C C 176.794 0.005 1 216 728 50 GLU CA C 56.733 0.026 1 217 728 50 GLU CB C 30.208 0.031 1 218 728 50 GLU N N 121.505 0.007 1 219 729 51 SER H H 8.496 0.001 1 220 729 51 SER C C 174.742 0.024 1 221 729 51 SER CA C 58.318 0.023 1 222 729 51 SER CB C 63.745 0.018 1 223 729 51 SER N N 117.908 0.042 1 224 730 52 VAL H H 8.316 0.001 1 225 730 52 VAL C C 175.828 0.016 1 226 730 52 VAL CA C 62.262 0.006 1 227 730 52 VAL CB C 32.849 0.010 1 228 730 52 VAL N N 122.236 0.011 1 229 731 53 ASP H H 8.461 0.001 1 230 731 53 ASP C C 176.242 0.005 1 231 731 53 ASP CA C 54.357 0.006 1 232 731 53 ASP CB C 41.045 0.007 1 233 731 53 ASP N N 124.015 0.012 1 234 732 54 LEU H H 8.284 0.002 1 235 732 54 LEU C C 177.790 0.005 1 236 732 54 LEU CA C 55.552 0.020 1 237 732 54 LEU CB C 42.191 0.027 1 238 732 54 LEU N N 123.411 0.223 1 239 733 55 VAL H H 8.203 0.001 1 240 733 55 VAL C C 176.334 0.005 1 241 733 55 VAL CA C 63.045 0.010 1 242 733 55 VAL CB C 32.489 0.036 1 243 733 55 VAL N N 121.483 0.010 1 244 734 56 ASN H H 8.468 0.002 1 245 734 56 ASN C C 175.917 0.009 1 246 734 56 ASN CA C 53.604 0.011 1 247 734 56 ASN CB C 38.760 0.027 1 248 734 56 ASN N N 122.215 0.185 1 249 735 57 GLU H H 8.576 0.003 1 250 735 57 GLU C C 177.318 0.002 1 251 735 57 GLU CA C 57.567 0.016 1 252 735 57 GLU CB C 30.204 0.083 1 253 735 57 GLU N N 122.484 0.251 1 254 736 58 GLU H H 8.454 0.005 1 255 736 58 GLU C C 177.304 0.005 1 256 736 58 GLU CA C 57.416 0.029 1 257 736 58 GLU CB C 29.843 0.037 1 258 736 58 GLU N N 121.259 0.205 1 259 737 59 LEU H H 8.133 0.002 1 260 737 59 LEU C C 177.971 0.004 1 261 737 59 LEU CA C 55.628 0.013 1 262 737 59 LEU CB C 41.958 0.011 1 263 737 59 LEU N N 121.837 0.014 1 264 738 60 LYS H H 8.164 0.003 1 265 738 60 LYS C C 177.499 0.026 1 266 738 60 LYS CA C 57.067 0.004 1 267 738 60 LYS CB C 32.786 0.011 1 268 738 60 LYS N N 121.391 0.238 1 269 739 61 GLY H H 8.382 0.002 1 270 739 61 GLY C C 174.227 0.012 1 271 739 61 GLY CA C 45.347 0.009 1 272 739 61 GLY N N 109.157 0.067 1 273 740 62 LYS H H 8.099 0.002 1 274 740 62 LYS C C 176.822 0.030 1 275 740 62 LYS CA C 56.434 0.011 1 276 740 62 LYS CB C 33.130 0.005 1 277 740 62 LYS N N 121.138 0.037 1 278 741 63 VAL H H 8.283 0.002 1 279 741 63 VAL C C 176.455 0.003 1 280 741 63 VAL CA C 62.599 0.005 1 281 741 63 VAL CB C 32.574 0.052 1 282 741 63 VAL N N 122.329 0.241 1 283 742 64 LEU H H 8.501 0.001 1 284 742 64 LEU C C 177.967 0.002 1 285 742 64 LEU CA C 55.309 0.018 1 286 742 64 LEU CB C 42.345 0.016 1 287 742 64 LEU N N 126.640 0.013 1 288 743 65 GLY H H 8.460 0.001 1 289 743 65 GLY C C 174.093 0.013 1 290 743 65 GLY CA C 45.287 0.003 1 291 743 65 GLY N N 109.600 0.012 1 292 744 66 LEU H H 8.183 0.001 1 293 744 66 LEU C C 177.686 0.020 1 294 744 66 LEU CA C 55.045 0.032 1 295 744 66 LEU CB C 42.501 0.028 1 296 744 66 LEU N N 121.640 0.004 1 297 745 67 SER H H 8.457 0.001 1 298 745 67 SER C C 174.369 0.000 1 299 745 67 SER CA C 58.347 0.054 1 300 745 67 SER CB C 63.681 0.029 1 301 745 67 SER N N 117.122 0.029 1 302 746 68 ARG H H 8.444 0.003 1 303 746 68 ARG C C 175.714 0.014 1 304 746 68 ARG CA C 55.653 0.017 1 305 746 68 ARG CB C 31.022 0.005 1 306 746 68 ARG N N 123.428 0.204 1 307 747 69 ASP H H 8.540 0.001 1 308 747 69 ASP C C 174.892 0.000 1 309 747 69 ASP CA C 52.203 0.000 1 310 747 69 ASP CB C 41.018 0.000 1 311 747 69 ASP N N 123.985 0.021 1 312 748 70 PRO C C 176.954 0.000 1 313 748 70 PRO CA C 63.467 0.042 1 314 748 70 PRO CB C 32.082 0.000 1 315 749 71 ALA H H 8.457 0.001 1 316 749 71 ALA C C 178.046 0.002 1 317 749 71 ALA CA C 52.589 0.000 1 318 749 71 ALA CB C 19.044 0.008 1 319 749 71 ALA N N 122.980 0.116 1 320 750 72 LYS H H 8.103 0.002 1 321 750 72 LYS C C 176.668 0.025 1 322 750 72 LYS CA C 56.062 0.022 1 323 750 72 LYS CB C 33.100 0.003 1 324 750 72 LYS N N 120.928 0.225 1 325 751 73 VAL H H 8.244 0.001 1 326 751 73 VAL C C 175.993 0.011 1 327 751 73 VAL CA C 62.431 0.005 1 328 751 73 VAL CB C 32.753 0.026 1 329 751 73 VAL N N 122.956 0.235 1 330 752 74 ALA H H 8.503 0.001 1 331 752 74 ALA C C 177.845 0.005 1 332 752 74 ALA CA C 52.547 0.013 1 333 752 74 ALA CB C 19.259 0.029 1 334 752 74 ALA N N 127.886 0.011 1 335 753 75 GLU H H 8.507 0.001 1 336 753 75 GLU C C 176.799 0.006 1 337 753 75 GLU CA C 56.658 0.131 1 338 753 75 GLU CB C 30.281 0.006 1 339 753 75 GLU N N 120.752 0.010 1 340 754 76 GLU H H 8.534 0.003 1 341 754 76 GLU C C 176.264 0.026 1 342 754 76 GLU CA C 56.570 0.047 1 343 754 76 GLU CB C 30.351 0.025 1 344 754 76 GLU N N 121.298 0.252 1 345 755 77 ASP H H 8.468 0.002 1 346 755 77 ASP C C 176.335 0.000 1 347 755 77 ASP CA C 54.338 0.009 1 348 755 77 ASP CB C 41.262 0.025 1 349 755 77 ASP N N 121.726 0.226 1 350 756 78 GLU H H 8.426 0.001 1 351 756 78 GLU C C 176.304 0.000 1 352 756 78 GLU CA C 56.315 0.197 1 353 756 78 GLU CB C 30.562 0.012 1 354 756 78 GLU N N 121.778 0.008 1 355 757 79 ASP H H 8.535 0.007 1 356 757 79 ASP C C 176.084 0.000 1 357 757 79 ASP CA C 54.321 0.015 1 358 757 79 ASP CB C 41.304 0.018 1 359 757 79 ASP N N 121.947 0.235 1 360 758 80 ASP H H 8.388 0.001 1 361 758 80 ASP C C 176.344 0.016 1 362 758 80 ASP CA C 54.340 0.015 1 363 758 80 ASP CB C 41.369 0.012 1 364 758 80 ASP N N 121.595 0.024 1 365 759 81 ASP H H 8.482 0.002 1 366 759 81 ASP C C 177.411 0.014 1 367 759 81 ASP CA C 54.382 0.014 1 368 759 81 ASP CB C 41.039 0.037 1 369 759 81 ASP N N 121.998 0.248 1 370 760 82 GLY H H 8.587 0.000 1 371 760 82 GLY C C 175.279 0.004 1 372 760 82 GLY CA C 45.845 0.010 1 373 760 82 GLY N N 109.648 0.003 1 374 761 83 GLY H H 8.428 0.003 1 375 761 83 GLY C C 174.617 0.013 1 376 761 83 GLY CA C 45.481 0.028 1 377 761 83 GLY N N 109.272 0.213 1 378 762 84 ILE H H 8.027 0.002 1 379 762 84 ILE C C 176.952 0.001 1 380 762 84 ILE CA C 62.010 0.014 1 381 762 84 ILE CB C 38.456 0.004 1 382 762 84 ILE N N 120.416 0.182 1 383 763 85 MET H H 8.601 0.000 1 384 763 85 MET C C 176.713 0.015 1 385 763 85 MET CA C 55.747 0.111 1 386 763 85 MET CB C 32.290 0.011 1 387 763 85 MET N N 123.562 0.014 1 388 764 86 MET H H 8.410 0.006 1 389 764 86 MET C C 176.519 0.013 1 390 764 86 MET CA C 55.689 0.033 1 391 764 86 MET CB C 32.512 0.085 1 392 764 86 MET N N 122.020 0.296 1 393 765 87 ARG H H 8.367 0.002 1 394 765 87 ARG C C 176.587 0.012 1 395 765 87 ARG CA C 56.339 0.007 1 396 765 87 ARG CB C 30.808 0.135 1 397 765 87 ARG N N 122.400 0.015 1 398 766 88 SER H H 8.460 0.002 1 399 766 88 SER C C 174.672 0.000 1 400 766 88 SER CA C 58.540 0.019 1 401 766 88 SER CB C 63.784 0.116 1 402 766 88 SER N N 117.657 0.299 1 403 767 89 LYS H H 8.459 0.005 1 404 767 89 LYS C C 176.785 0.004 1 405 767 89 LYS CA C 56.425 0.178 1 406 767 89 LYS CB C 33.128 0.071 1 407 767 89 LYS N N 123.559 0.161 1 408 768 90 GLU H H 8.560 0.005 1 409 768 90 GLU C C 176.701 0.013 1 410 768 90 GLU CA C 56.777 0.012 1 411 768 90 GLU CB C 30.248 0.015 1 412 768 90 GLU N N 122.203 0.265 1 413 769 91 THR H H 8.218 0.001 1 414 769 91 THR C C 174.367 0.018 1 415 769 91 THR CA C 61.311 0.033 1 416 769 91 THR CB C 69.895 0.029 1 417 769 91 THR N N 114.795 0.228 1 418 770 92 SER H H 8.479 0.001 1 419 770 92 SER C C 174.154 0.032 1 420 770 92 SER CA C 58.125 0.007 1 421 770 92 SER CB C 64.026 0.028 1 422 770 92 SER N N 118.529 0.181 1 423 771 93 SEP H H 8.887 0.002 1 424 771 93 SEP C C 172.702 0.000 1 425 771 93 SEP CA C 55.999 0.000 1 426 771 93 SEP CB C 64.734 0.000 1 427 771 93 SEP N N 120.478 0.009 1 428 772 94 PRO C C 177.650 0.000 1 429 772 94 PRO CA C 63.849 0.008 1 430 772 94 PRO CB C 32.150 0.034 1 431 773 95 GLY H H 8.656 0.001 1 432 773 95 GLY C C 174.605 0.012 1 433 773 95 GLY CA C 45.272 0.005 1 434 773 95 GLY N N 109.641 0.008 1 435 774 96 THR H H 8.197 0.001 1 436 774 96 THR C C 174.530 0.029 1 437 774 96 THR CA C 61.854 0.019 1 438 774 96 THR CB C 69.770 0.030 1 439 774 96 THR N N 113.832 0.207 1 440 775 97 ASP H H 8.523 0.001 1 441 775 97 ASP C C 175.893 0.007 1 442 775 97 ASP CA C 54.376 0.009 1 443 775 97 ASP CB C 41.108 0.014 1 444 775 97 ASP N N 122.707 0.021 1 445 776 98 ASP H H 8.283 0.001 1 446 776 98 ASP C C 175.723 0.005 1 447 776 98 ASP CA C 54.418 0.018 1 448 776 98 ASP CB C 41.181 0.036 1 449 776 98 ASP N N 120.984 0.034 1 450 777 99 VAL H H 8.076 0.002 1 451 777 99 VAL C C 175.593 0.004 1 452 777 99 VAL CA C 61.881 0.017 1 453 777 99 VAL CB C 32.898 0.024 1 454 777 99 VAL N N 120.217 0.005 1 455 778 100 PHE H H 8.240 0.008 1 456 778 100 PHE C C 175.200 0.012 1 457 778 100 PHE CA C 56.878 0.003 1 458 778 100 PHE CB C 40.251 0.016 1 459 778 100 PHE N N 124.345 0.185 1 460 779 101 TPO H H 9.247 0.025 1 461 779 101 TPO C C 172.061 0.000 1 462 779 101 TPO CA C 60.341 0.000 1 463 779 101 TPO CB C 72.718 0.000 1 464 779 101 TPO N N 123.341 0.198 1 465 780 102 PRO C C 176.241 0.011 1 466 780 102 PRO CA C 62.938 0.032 1 467 780 102 PRO CB C 32.222 0.009 1 468 781 103 ALA H H 8.595 0.002 1 469 781 103 ALA C C 175.767 0.000 1 470 781 103 ALA CA C 50.372 0.000 1 471 781 103 ALA CB C 17.881 0.000 1 472 781 103 ALA N N 126.510 0.224 1 473 782 104 PRO C C 176.909 0.016 1 474 782 104 PRO CA C 63.053 0.001 1 475 782 104 PRO CB C 32.172 0.002 1 476 783 105 SER H H 8.528 0.002 1 477 783 105 SER C C 174.368 0.002 1 478 783 105 SER CA C 58.038 0.271 1 479 783 105 SER CB C 63.924 0.014 1 480 783 105 SER N N 116.491 0.525 1 481 784 106 ASP H H 8.466 0.006 1 482 784 106 ASP C C 175.994 0.009 1 483 784 106 ASP CA C 53.951 0.003 1 484 784 106 ASP CB C 41.259 0.026 1 485 784 106 ASP N N 122.979 0.145 1 486 785 107 SEP H H 8.675 0.001 1 487 785 107 SEP C C 173.659 0.000 1 488 785 107 SEP CA C 55.791 0.000 1 489 785 107 SEP CB C 65.056 0.000 1 490 785 107 SEP N N 118.034 0.009 1 491 786 108 PRO C C 178.245 0.013 1 492 786 108 PRO CA C 64.680 0.017 1 493 786 108 PRO CB C 32.040 0.024 1 494 787 109 SER H H 8.571 0.001 1 495 787 109 SER C C 175.629 0.000 1 496 787 109 SER CA C 60.048 0.049 1 497 787 109 SER CB C 62.727 0.017 1 498 787 109 SER N N 114.891 0.036 1 499 788 110 SER H H 8.085 0.001 1 500 788 110 SER C C 175.095 0.000 1 501 788 110 SER CA C 59.613 0.057 1 502 788 110 SER CB C 63.589 0.068 1 503 788 110 SER N N 117.908 0.003 1 504 789 111 GLN H H 8.196 0.002 1 505 789 111 GLN C C 176.329 0.000 1 506 789 111 GLN CA C 56.328 0.010 1 507 789 111 GLN CB C 29.118 0.011 1 508 789 111 GLN N N 121.546 0.244 1 509 790 112 ARG H H 8.225 0.004 1 510 790 112 ARG C C 176.661 0.002 1 511 790 112 ARG CA C 56.752 0.028 1 512 790 112 ARG CB C 30.592 0.007 1 513 790 112 ARG N N 121.839 0.274 1 514 791 113 ILE H H 8.188 0.002 1 515 791 113 ILE C C 176.569 0.000 1 516 791 113 ILE CA C 61.539 0.040 1 517 791 113 ILE CB C 38.526 0.006 1 518 791 113 ILE N N 122.093 0.016 1 519 792 114 GLN H H 8.508 0.003 1 520 792 114 GLN C C 176.143 0.006 1 521 792 114 GLN CA C 56.046 0.038 1 522 792 114 GLN CB C 29.324 0.027 1 523 792 114 GLN N N 124.546 0.034 1 524 793 115 ARG H H 8.491 0.001 1 525 793 115 ARG C C 176.275 0.011 1 526 793 115 ARG CA C 56.430 0.014 1 527 793 115 ARG CB C 30.664 0.003 1 528 793 115 ARG N N 123.103 0.011 1 529 794 116 CYS H H 8.532 0.002 1 530 794 116 CYS C C 175.050 0.001 1 531 794 116 CYS CA C 58.766 0.024 1 532 794 116 CYS CB C 27.838 0.014 1 533 794 116 CYS N N 120.945 0.126 1 534 795 117 LEU H H 8.516 0.001 1 535 795 117 LEU C C 177.502 0.000 1 536 795 117 LEU CA C 55.660 0.006 1 537 795 117 LEU CB C 42.145 0.032 1 538 795 117 LEU N N 125.079 0.010 1 539 796 118 SER H H 8.232 0.004 1 540 796 118 SER C C 173.852 0.006 1 541 796 118 SER CA C 58.238 0.006 1 542 796 118 SER CB C 63.712 0.022 1 543 796 118 SER N N 115.594 0.031 1 544 797 119 ASP H H 8.283 0.001 1 545 797 119 ASP C C 174.540 0.000 1 546 797 119 ASP CA C 52.396 0.000 1 547 797 119 ASP CB C 41.119 0.000 1 548 797 119 ASP N N 123.801 0.004 1 549 798 120 PRO C C 177.335 0.000 1 550 798 120 PRO CA C 63.490 0.002 1 551 798 120 PRO CB C 32.421 0.041 1 552 799 121 GLY H H 8.390 0.001 1 553 799 121 GLY C C 171.556 0.000 1 554 799 121 GLY CA C 44.428 0.000 1 555 799 121 GLY N N 109.393 0.181 1 556 800 122 PRO C C 176.815 0.005 1 557 800 122 PRO CA C 62.918 0.021 1 558 800 122 PRO CB C 32.109 0.024 1 559 801 123 HIS H H 8.601 0.010 1 560 801 123 HIS C C 172.736 0.000 1 561 801 123 HIS CA C 53.766 0.000 1 562 801 123 HIS CB C 29.503 0.000 1 563 801 123 HIS N N 120.723 0.187 1 564 804 126 PRO C C 177.638 0.000 1 565 804 126 PRO CA C 63.548 0.005 1 566 804 126 PRO CB C 32.074 0.003 1 567 805 127 GLY H H 8.630 0.001 1 568 805 127 GLY C C 174.197 0.017 1 569 805 127 GLY CA C 44.992 0.010 1 570 805 127 GLY N N 110.050 0.014 1 571 806 128 GLU H H 8.343 0.001 1 572 806 128 GLU C C 177.156 0.013 1 573 806 128 GLU CA C 56.700 0.017 1 574 806 128 GLU CB C 30.268 0.006 1 575 806 128 GLU N N 120.665 0.009 1 576 807 129 GLY H H 8.599 0.001 1 577 807 129 GLY C C 173.806 0.003 1 578 807 129 GLY CA C 44.942 0.022 1 579 807 129 GLY N N 110.592 0.012 1 580 808 130 GLU H H 8.240 0.002 1 581 808 130 GLU C C 174.699 0.000 1 582 808 130 GLU CA C 54.302 0.000 1 583 808 130 GLU CB C 29.632 0.000 1 584 808 130 GLU N N 121.767 0.009 1 585 809 131 PRO C C 176.089 0.013 1 586 809 131 PRO CA C 63.064 0.004 1 587 809 131 PRO CB C 32.006 0.001 1 588 810 132 PHE H H 8.316 0.002 1 589 810 132 PHE C C 174.768 0.004 1 590 810 132 PHE CA C 57.593 0.009 1 591 810 132 PHE CB C 39.830 0.013 1 592 810 132 PHE N N 120.887 0.238 1 593 811 133 PHE H H 8.133 0.001 1 594 811 133 PHE C C 173.082 0.000 1 595 811 133 PHE CA C 55.077 0.000 1 596 811 133 PHE CB C 39.591 0.000 1 597 811 133 PHE N N 124.413 0.022 1 598 812 134 PRO C C 176.784 0.000 1 599 812 134 PRO CA C 62.919 0.027 1 600 812 134 PRO CB C 32.523 0.428 1 601 813 135 LYS H H 8.555 0.004 1 602 813 135 LYS C C 177.394 0.023 1 603 813 135 LYS CA C 56.391 0.034 1 604 813 135 LYS CB C 33.136 0.022 1 605 813 135 LYS N N 121.935 0.104 1 606 814 136 GLY H H 8.552 0.001 1 607 814 136 GLY C C 173.297 0.002 1 608 814 136 GLY CA C 45.279 0.002 1 609 814 136 GLY N N 110.970 0.025 1 610 815 137 GLN H H 8.018 0.001 1 611 815 137 GLN C C 180.716 0.000 1 612 815 137 GLN CA C 57.191 0.000 1 613 815 137 GLN CB C 30.384 0.000 1 614 815 137 GLN N N 124.886 0.002 1 stop_ save_