data_5761 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N Chemical Shift Assignments for Gamma-Adaptin Ear Domain ; _BMRB_accession_number 5761 _BMRB_flat_file_name bmr5761.str _Entry_type original _Submission_date 2003-04-07 _Accession_date 2003-04-07 _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 Denisov Alexei Yu. . 2 Gehring Kalle . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 327 "13C chemical shifts" 330 "15N chemical shifts" 105 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-12-19 original author . stop_ _Original_release_date 2003-12-19 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Characterization of a gamma-adaptin ear-binding motif in enthoprotin' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Wasiak Sylwia . . 2 Denisov Alexei Yu. . 3 Han Z. . . 4 Leventis P. A. . 5 Heuvel E. . . 6 Boulianne G. L. . 7 Kay B. K. . 8 Gehring Kalle . . 9 McPherson Peter S. . stop_ _Journal_abbreviation 'FEBS Lett.' _Journal_volume 555 _Journal_issue 3 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 437 _Page_last 442 _Year 2003 _Details . loop_ _Keyword Gamma-adaptin 'NMR assignments' enthoprotin stop_ save_ ################################## # Molecular system description # ################################## save_system_gamma-ear _Saveframe_category molecular_system _Mol_system_name 'gamma-adaptin ear domain' _Abbreviation_common gamma-ear _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'gamma-ear monomer' $gamma-ear_monomer stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'not present' _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_gamma-ear_monomer _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'gamma-adaptin ear domain' _Abbreviation_common gamma-ear _Molecular_mass . _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 119 _Mol_residue_sequence ; IPSITAYSKNGLKIEFTFER SNTNPSVTVITIQASNSTEL DMTDFVFQAAVPKTFQLQLL SPSSSVVPAFNTGTITQVIK VLNPQKQQLRMRIKLTYNHK GSAMQDLAEVNNFPPQSWQ ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 704 ILE 2 705 PRO 3 706 SER 4 707 ILE 5 708 THR 6 709 ALA 7 710 TYR 8 711 SER 9 712 LYS 10 713 ASN 11 714 GLY 12 715 LEU 13 716 LYS 14 717 ILE 15 718 GLU 16 719 PHE 17 720 THR 18 721 PHE 19 722 GLU 20 723 ARG 21 724 SER 22 725 ASN 23 726 THR 24 727 ASN 25 728 PRO 26 729 SER 27 730 VAL 28 731 THR 29 732 VAL 30 733 ILE 31 734 THR 32 735 ILE 33 736 GLN 34 737 ALA 35 738 SER 36 739 ASN 37 740 SER 38 741 THR 39 742 GLU 40 743 LEU 41 744 ASP 42 745 MET 43 746 THR 44 747 ASP 45 748 PHE 46 749 VAL 47 750 PHE 48 751 GLN 49 752 ALA 50 753 ALA 51 754 VAL 52 755 PRO 53 756 LYS 54 757 THR 55 758 PHE 56 759 GLN 57 760 LEU 58 761 GLN 59 762 LEU 60 763 LEU 61 764 SER 62 765 PRO 63 766 SER 64 767 SER 65 768 SER 66 769 VAL 67 770 VAL 68 771 PRO 69 772 ALA 70 773 PHE 71 774 ASN 72 775 THR 73 776 GLY 74 777 THR 75 778 ILE 76 779 THR 77 780 GLN 78 781 VAL 79 782 ILE 80 783 LYS 81 784 VAL 82 785 LEU 83 786 ASN 84 787 PRO 85 788 GLN 86 789 LYS 87 790 GLN 88 791 GLN 89 792 LEU 90 793 ARG 91 794 MET 92 795 ARG 93 796 ILE 94 797 LYS 95 798 LEU 96 799 THR 97 800 TYR 98 801 ASN 99 802 HIS 100 803 LYS 101 804 GLY 102 805 SER 103 806 ALA 104 807 MET 105 808 GLN 106 809 ASP 107 810 LEU 108 811 ALA 109 812 GLU 110 813 VAL 111 814 ASN 112 815 ASN 113 816 PHE 114 817 PRO 115 818 PRO 116 819 GLN 117 820 SER 118 821 TRP 119 822 GLN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-09-14 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 PDB 1GYU "Gamma-Adaptin Appendage Domain From Clathrin Adaptor Ap1" 100.00 140 100.00 100.00 6.09e-80 PDB 1GYV "Gamma-Adaptin Appendage Domain From Clathrin Adaptor Ap1, L762e Mutant" 100.00 120 99.16 99.16 1.42e-78 PDB 1GYW "Gamma-Adaptin Appendage Domain From Clathrin Adaptor Ap1 A753d Mutant" 100.00 128 99.16 99.16 4.60e-78 PDB 1IU1 "Crystal Structure Of Human Gamma1-Adaptin Ear Domain" 100.00 146 99.16 100.00 1.14e-78 PDB 2A7B "On The Routine Use Of Soft X-Rays In Macromolecular Crystallography, Part Iii- The Optimal Data Collection Wavelength" 100.00 120 100.00 100.00 1.23e-79 DBJ BAA33389 "gamma1-adaptin [Homo sapiens]" 100.00 822 99.16 100.00 5.95e-74 DBJ BAB86336 "gamma-adaptin [Rattus norvegicus]" 100.00 310 98.32 100.00 2.55e-76 DBJ BAC25904 "unnamed protein product [Mus musculus]" 100.00 421 100.00 100.00 3.09e-76 DBJ BAC28629 "unnamed protein product [Mus musculus]" 100.00 695 100.00 100.00 1.77e-74 DBJ BAC29406 "unnamed protein product [Mus musculus]" 100.00 825 100.00 100.00 5.22e-74 EMBL CAA38296 "gamma adaptin [Mus musculus]" 100.00 822 100.00 100.00 5.00e-74 EMBL CAA72902 "gamma-adaptin [Homo sapiens]" 100.00 825 99.16 100.00 8.02e-74 EMBL CAB53673 "hypothetical protein [Homo sapiens]" 100.00 284 99.16 100.00 1.32e-77 EMBL CAH92944 "hypothetical protein [Pongo abelii]" 100.00 822 99.16 100.00 8.42e-74 GB AAH36283 "Adaptor-related protein complex 1, gamma 1 subunit [Homo sapiens]" 100.00 825 99.16 100.00 8.80e-74 GB AAH52703 "Adaptor protein complex AP-1, gamma 1 subunit [Mus musculus]" 100.00 825 100.00 100.00 5.22e-74 GB AAH54535 "Adaptor protein complex AP-1, gamma 1 subunit [Mus musculus]" 100.00 825 100.00 100.00 5.22e-74 GB AAI66845 "Ap1g1 protein [Rattus norvegicus]" 100.00 822 100.00 100.00 5.65e-74 GB ACE86968 "adaptor-related protein complex 1, gamma 1 subunit protein [synthetic construct]" 100.00 825 99.16 100.00 8.80e-74 PRF 1704251A "gamma adaptin" 100.00 822 100.00 100.00 5.00e-74 REF NP_001025178 "AP-1 complex subunit gamma-1 isoform a [Homo sapiens]" 100.00 825 99.16 100.00 8.02e-74 REF NP_001119 "AP-1 complex subunit gamma-1 isoform b [Homo sapiens]" 100.00 822 99.16 100.00 7.15e-74 REF NP_001126734 "AP-1 complex subunit gamma-1 [Pongo abelii]" 100.00 822 99.16 100.00 8.42e-74 REF NP_001178365 "AP-1 complex subunit gamma-1 [Bos taurus]" 100.00 825 99.16 100.00 7.17e-74 REF NP_001288140 "AP-1 complex subunit gamma-1 isoform 2 [Mus musculus]" 100.00 822 100.00 100.00 5.00e-74 SP O43747 "RecName: Full=AP-1 complex subunit gamma-1; AltName: Full=Adaptor protein complex AP-1 subunit gamma-1; AltName: Full=Adaptor-r" 100.00 822 99.16 100.00 7.15e-74 SP P22892 "RecName: Full=AP-1 complex subunit gamma-1; AltName: Full=Adaptor protein complex AP-1 subunit gamma-1; AltName: Full=Adaptor-r" 100.00 822 100.00 100.00 5.00e-74 SP Q5R5M2 "RecName: Full=AP-1 complex subunit gamma-1; AltName: Full=Adaptor protein complex AP-1 subunit gamma-1; AltName: Full=Adaptor-r" 100.00 822 99.16 100.00 8.42e-74 TPG DAA20238 "TPA: adaptor-related protein complex 1, gamma 1 subunit isoform 1 [Bos taurus]" 100.00 825 99.16 100.00 7.17e-74 TPG DAA20239 "TPA: adaptor-related protein complex 1, gamma 1 subunit isoform 2 [Bos taurus]" 100.00 822 99.16 100.00 7.76e-74 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $gamma-ear_monomer 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_type _Vector_name $gamma-ear_monomer 'recombinant technology' 'E. coli' Escherichia coli BL21Gold plasmid pGET-2TK 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 $gamma-ear_monomer 1.5 mM '[U-99% 13C; U-99% 15N]' 'sodium phosphate buffer' 50 mM . NaCl 150 mM . stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $gamma-ear_monomer 1.5 mM '[U-99% 15N]' 'sodium phosphate buffer' 50 mM . NaCl 150 mM . stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Saveframe_category software _Name XWINNMR _Version 3.1 loop_ _Task collection processing stop_ _Details Bruker save_ save_XEASY _Saveframe_category software _Name XEASY _Version 1.3.13 loop_ _Task 'data analysis' stop_ _Details 'Bartels et al.' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CBCA(CO)HN_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)HN' _Sample_label . save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_15N-HMQC-NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-HMQC-NOESY' _Sample_label . save_ save_3D_15N-HMQC-TOCSY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-HMQC-TOCSY' _Sample_label . save_ save_2D_15N-HSQC_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-HSQC' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)HN' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-HMQC-NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 15N-HMQC-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 15N-HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 7.2 0.1 n/a temperature 303 0.5 K 'ionic strength' 0.20 . M 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 H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . indirect . . . 0.101329118 DSS C 13 'methyl protons' ppm 0.0 . indirect . . . 0.251449530 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_shift_set_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 $sample_2 stop_ _Sample_conditions_label $Ex-cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'gamma-ear monomer' _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 . 2 PRO CA C 62.5 0.20 1 2 . 2 PRO CB C 31.2 0.20 1 3 . 2 PRO C C 176.2 0.20 1 4 . 3 SER N N 113.8 0.25 1 5 . 3 SER H H 7.95 0.01 1 6 . 3 SER CA C 56.3 0.20 1 7 . 3 SER HA H 5.10 0.01 1 8 . 3 SER CB C 63.8 0.20 1 9 . 3 SER HB2 H 4.01 0.01 2 10 . 3 SER C C 176.5 0.20 1 11 . 4 ILE N N 110.6 0.25 1 12 . 4 ILE H H 8.39 0.01 1 13 . 4 ILE CA C 58.1 0.20 1 14 . 4 ILE HA H 4.93 0.01 1 15 . 4 ILE CB C 41.7 0.20 1 16 . 4 ILE C C 176.6 0.20 1 17 . 5 THR N N 119.6 0.25 1 18 . 5 THR H H 8.85 0.01 1 19 . 5 THR CA C 61.5 0.20 1 20 . 5 THR CB C 66.9 0.20 1 21 . 5 THR C C 175.1 0.20 1 22 . 6 ALA N N 131.2 0.25 1 23 . 6 ALA H H 8.43 0.01 1 24 . 6 ALA CA C 51.2 0.20 1 25 . 6 ALA HA H 3.84 0.01 1 26 . 6 ALA CB C 17.8 0.20 1 27 . 6 ALA HB H 0.16 0.01 1 28 . 6 ALA C C 177.2 0.20 1 29 . 7 TYR N N 116.1 0.25 1 30 . 7 TYR H H 7.42 0.01 1 31 . 7 TYR CA C 56.2 0.20 1 32 . 7 TYR HA H 4.30 0.01 1 33 . 7 TYR CB C 41.4 0.20 1 34 . 7 TYR HB2 H 2.73 0.01 2 35 . 7 TYR HB3 H 2.41 0.01 2 36 . 7 TYR C C 174.8 0.20 1 37 . 8 SER N N 122.4 0.25 1 38 . 8 SER H H 8.30 0.01 1 39 . 8 SER CA C 55.2 0.20 1 40 . 8 SER CB C 61.2 0.20 1 41 . 8 SER C C 173.4 0.20 1 42 . 9 LYS N N 128.0 0.25 1 43 . 9 LYS H H 8.35 0.01 1 44 . 9 LYS CA C 55.9 0.20 1 45 . 9 LYS HA H 4.22 0.01 1 46 . 9 LYS CB C 34.3 0.20 1 47 . 9 LYS HB2 H 1.60 0.01 2 48 . 10 ASN CA C 53.3 0.20 1 49 . 10 ASN CB C 36.1 0.20 1 50 . 10 ASN C C 176.0 0.20 1 51 . 11 GLY N N 104.9 0.25 1 52 . 11 GLY H H 8.39 0.01 1 53 . 11 GLY CA C 44.0 0.20 1 54 . 11 GLY C C 173.3 0.20 1 55 . 12 LEU N N 123.5 0.25 1 56 . 12 LEU H H 7.97 0.01 1 57 . 12 LEU CA C 52.0 0.20 1 58 . 12 LEU HA H 5.04 0.01 1 59 . 12 LEU CB C 42.0 0.20 1 60 . 12 LEU HD1 H 1.12 0.01 2 61 . 12 LEU C C 175.8 0.20 1 62 . 13 LYS N N 128.1 0.25 1 63 . 13 LYS H H 8.83 0.01 1 64 . 13 LYS CA C 53.4 0.20 1 65 . 13 LYS HA H 5.32 0.01 1 66 . 13 LYS CB C 34.5 0.20 1 67 . 13 LYS HB2 H 1.79 0.01 2 68 . 13 LYS C C 176.5 0.20 1 69 . 14 ILE N N 123.1 0.25 1 70 . 14 ILE H H 9.25 0.01 1 71 . 14 ILE CA C 58.4 0.20 1 72 . 14 ILE HA H 5.09 0.01 1 73 . 14 ILE CB C 38.8 0.20 1 74 . 14 ILE HG2 H 0.90 0.01 1 75 . 14 ILE C C 176.2 0.20 1 76 . 15 GLU N N 128.6 0.25 1 77 . 15 GLU H H 8.97 0.01 1 78 . 15 GLU CA C 53.0 0.20 1 79 . 15 GLU HA H 5.17 0.01 1 80 . 15 GLU CB C 32.2 0.20 1 81 . 15 GLU HB2 H 2.18 0.01 2 82 . 15 GLU HB3 H 2.09 0.01 2 83 . 15 GLU HG2 H 1.92 0.01 2 84 . 15 GLU C C 176.8 0.20 1 85 . 16 PHE N N 121.8 0.25 1 86 . 16 PHE H H 9.31 0.01 1 87 . 16 PHE CA C 51.5 0.20 1 88 . 16 PHE HA H 5.44 0.01 1 89 . 16 PHE CB C 39.6 0.20 1 90 . 16 PHE HB2 H 3.05 0.01 2 91 . 16 PHE C C 175.8 0.20 1 92 . 17 THR N N 112.7 0.25 1 93 . 17 THR H H 8.20 0.01 1 94 . 17 THR CA C 58.8 0.20 1 95 . 17 THR HA H 4.65 0.01 1 96 . 17 THR CB C 69.6 0.20 1 97 . 17 THR HB H 4.16 0.01 1 98 . 17 THR HG2 H 1.20 0.01 1 99 . 17 THR C C 174.8 0.20 1 100 . 18 PHE N N 118.0 0.25 1 101 . 18 PHE H H 9.04 0.01 1 102 . 18 PHE CA C 56.2 0.20 1 103 . 18 PHE HA H 5.44 0.01 1 104 . 18 PHE CB C 44.3 0.20 1 105 . 18 PHE HB2 H 2.68 0.01 2 106 . 18 PHE C C 176.5 0.20 1 107 . 19 GLU N N 120.7 0.25 1 108 . 19 GLU H H 9.03 0.01 1 109 . 19 GLU CA C 54.4 0.20 1 110 . 19 GLU HA H 4.67 0.01 1 111 . 19 GLU CB C 33.1 0.20 1 112 . 19 GLU HB2 H 2.22 0.01 2 113 . 19 GLU HB3 H 2.02 0.01 2 114 . 19 GLU HG2 H 1.93 0.01 2 115 . 19 GLU C C 176.0 0.20 1 116 . 20 ARG N N 124.1 0.25 1 117 . 20 ARG H H 8.80 0.01 1 118 . 20 ARG CA C 53.8 0.20 1 119 . 20 ARG HA H 5.43 0.01 1 120 . 20 ARG CB C 31.3 0.20 1 121 . 20 ARG HB2 H 1.63 0.01 2 122 . 20 ARG C C 176.3 0.20 1 123 . 21 SER N N 118.0 0.25 1 124 . 21 SER H H 8.82 0.01 1 125 . 21 SER CA C 55.9 0.20 1 126 . 21 SER CB C 63.1 0.20 1 127 . 21 SER HB2 H 3.99 0.01 2 128 . 21 SER HB3 H 3.94 0.01 2 129 . 24 ASN N N 124.6 0.25 1 130 . 24 ASN H H 8.54 0.01 1 131 . 24 ASN CA C 57.7 0.20 1 132 . 24 ASN CB C 38.7 0.20 1 133 . 25 PRO CA C 63.5 0.20 1 134 . 25 PRO CB C 31.0 0.20 1 135 . 25 PRO C C 178.4 0.20 1 136 . 26 SER N N 112.6 0.25 1 137 . 26 SER H H 8.06 0.01 1 138 . 26 SER CA C 58.2 0.20 1 139 . 26 SER CB C 62.3 0.20 1 140 . 26 SER C C 174.8 0.20 1 141 . 27 VAL N N 122.5 0.25 1 142 . 27 VAL H H 7.75 0.01 1 143 . 27 VAL CA C 60.1 0.20 1 144 . 27 VAL HA H 5.03 0.01 1 145 . 27 VAL CB C 32.5 0.20 1 146 . 27 VAL HB H 2.12 0.01 1 147 . 27 VAL HG1 H 0.90 0.01 2 148 . 27 VAL C C 177.1 0.20 1 149 . 28 THR N N 125.3 0.25 1 150 . 28 THR H H 9.11 0.01 1 151 . 28 THR CA C 61.3 0.20 1 152 . 28 THR HA H 4.77 0.01 1 153 . 28 THR CB C 69.6 0.20 1 154 . 28 THR HB H 4.05 0.01 1 155 . 28 THR HG2 H 1.38 0.01 1 156 . 28 THR C C 173.4 0.20 1 157 . 29 VAL N N 128.7 0.25 1 158 . 29 VAL H H 9.17 0.01 1 159 . 29 VAL CA C 61.3 0.20 1 160 . 29 VAL HA H 4.51 0.01 1 161 . 29 VAL CB C 31.1 0.20 1 162 . 29 VAL HB H 2.12 0.01 1 163 . 29 VAL HG1 H 0.84 0.01 2 164 . 29 VAL C C 177.1 0.20 1 165 . 30 ILE N N 131.5 0.25 1 166 . 30 ILE H H 9.64 0.01 1 167 . 30 ILE CA C 58.3 0.20 1 168 . 30 ILE HA H 4.79 0.01 1 169 . 30 ILE CB C 38.7 0.20 1 170 . 30 ILE C C 176.2 0.20 1 171 . 31 THR N N 123.4 0.25 1 172 . 31 THR H H 8.65 0.01 1 173 . 31 THR CA C 61.2 0.20 1 174 . 31 THR HA H 4.62 0.01 1 175 . 31 THR CB C 67.4 0.20 1 176 . 31 THR HB H 3.90 0.01 1 177 . 31 THR HG2 H 0.96 0.01 1 178 . 31 THR C C 175.4 0.20 1 179 . 32 ILE N N 126.3 0.25 1 180 . 32 ILE H H 9.19 0.01 1 181 . 32 ILE CA C 57.7 0.20 1 182 . 32 ILE HA H 5.03 0.01 1 183 . 32 ILE CB C 36.9 0.20 1 184 . 32 ILE C C 176.4 0.20 1 185 . 33 GLN N N 120.5 0.25 1 186 . 33 GLN H H 8.77 0.01 1 187 . 33 GLN CA C 52.7 0.20 1 188 . 33 GLN HA H 5.34 0.01 1 189 . 33 GLN CB C 30.3 0.20 1 190 . 33 GLN HB2 H 2.16 0.01 2 191 . 33 GLN HB3 H 1.88 0.01 2 192 . 33 GLN C C 176.7 0.20 1 193 . 34 ALA N N 130.4 0.25 1 194 . 34 ALA H H 9.29 0.01 1 195 . 34 ALA CA C 48.7 0.20 1 196 . 34 ALA HA H 5.66 0.01 1 197 . 34 ALA CB C 19.8 0.20 1 198 . 34 ALA HB H 0.87 0.01 1 199 . 34 ALA C C 176.0 0.20 1 200 . 35 SER N N 114.6 0.25 1 201 . 35 SER H H 9.15 0.01 1 202 . 35 SER CA C 56.0 0.20 1 203 . 35 SER HA H 4.57 0.01 1 204 . 35 SER CB C 65.4 0.20 1 205 . 35 SER HB2 H 3.87 0.01 2 206 . 35 SER C C 172.5 0.20 1 207 . 36 ASN N N 121.1 0.25 1 208 . 36 ASN H H 9.30 0.01 1 209 . 36 ASN CA C 49.0 0.20 1 210 . 36 ASN HA H 5.44 0.01 1 211 . 36 ASN CB C 39.1 0.20 1 212 . 36 ASN HB2 H 2.89 0.01 2 213 . 36 ASN HB3 H 2.68 0.01 2 214 . 36 ASN C C 175.2 0.20 1 215 . 37 SER N N 117.6 0.25 1 216 . 37 SER H H 9.02 0.01 1 217 . 37 SER CA C 56.5 0.20 1 218 . 37 SER CB C 62.8 0.20 1 219 . 37 SER C C 176.7 0.20 1 220 . 38 THR N N 114.3 0.25 1 221 . 38 THR H H 8.50 0.01 1 222 . 38 THR CA C 60.1 0.20 1 223 . 38 THR HA H 4.61 0.01 1 224 . 38 THR CB C 69.6 0.20 1 225 . 38 THR HG2 H 1.45 0.01 1 226 . 38 THR C C 173.3 0.20 1 227 . 39 GLU N N 113.8 0.25 1 228 . 39 GLU H H 9.05 0.01 1 229 . 39 GLU CA C 54.4 0.20 1 230 . 39 GLU CB C 28.5 0.20 1 231 . 39 GLU C C 176.5 0.20 1 232 . 40 LEU N N 120.1 0.25 1 233 . 40 LEU H H 7.77 0.01 1 234 . 40 LEU CA C 51.8 0.20 1 235 . 40 LEU HA H 4.77 0.01 1 236 . 40 LEU CB C 45.5 0.20 1 237 . 40 LEU HB2 H 1.66 0.01 2 238 . 40 LEU C C 177.7 0.20 1 239 . 41 ASP N N 122.8 0.25 1 240 . 41 ASP H H 8.87 0.01 1 241 . 41 ASP CA C 54.2 0.20 1 242 . 41 ASP CB C 39.8 0.20 1 243 . 41 ASP C C 176.6 0.20 1 244 . 42 MET N N 121.6 0.25 1 245 . 42 MET H H 7.84 0.01 1 246 . 42 MET CA C 53.7 0.20 1 247 . 42 MET HA H 5.35 0.01 1 248 . 42 MET CB C 31.1 0.20 1 249 . 42 MET C C 177.0 0.20 1 250 . 43 THR N N 112.9 0.25 1 251 . 43 THR H H 9.20 0.01 1 252 . 43 THR CA C 59.1 0.20 1 253 . 43 THR HA H 5.04 0.01 1 254 . 43 THR CB C 69.8 0.20 1 255 . 43 THR C C 174.5 0.20 1 256 . 44 ASP N N 118.5 0.25 1 257 . 44 ASP H H 8.89 0.01 1 258 . 44 ASP CA C 53.9 0.20 1 259 . 44 ASP HA H 4.22 0.01 1 260 . 44 ASP CB C 38.6 0.20 1 261 . 44 ASP HB2 H 2.77 0.01 2 262 . 44 ASP C C 175.4 0.20 1 263 . 45 PHE N N 117.9 0.25 1 264 . 45 PHE H H 9.04 0.01 1 265 . 45 PHE CA C 57.8 0.20 1 266 . 45 PHE HA H 4.82 0.01 1 267 . 45 PHE CB C 38.8 0.20 1 268 . 45 PHE C C 177.5 0.20 1 269 . 46 VAL N N 131.2 0.25 1 270 . 46 VAL H H 8.90 0.01 1 271 . 46 VAL CA C 61.4 0.20 1 272 . 46 VAL HA H 3.99 0.01 1 273 . 46 VAL CB C 33.4 0.20 1 274 . 46 VAL HB H 1.95 0.01 1 275 . 46 VAL HG1 H 0.80 0.01 2 276 . 46 VAL C C 174.4 0.20 1 277 . 47 PHE N N 128.7 0.25 1 278 . 47 PHE H H 8.57 0.01 1 279 . 47 PHE CA C 55.4 0.20 1 280 . 47 PHE HA H 4.65 0.01 1 281 . 47 PHE CB C 39.9 0.20 1 282 . 47 PHE HB2 H 3.30 0.01 2 283 . 47 PHE HB3 H 2.73 0.01 2 284 . 47 PHE C C 174.8 0.20 1 285 . 48 GLN N N 125.0 0.25 1 286 . 48 GLN H H 7.98 0.01 1 287 . 48 GLN CA C 53.1 0.20 1 288 . 48 GLN HA H 4.37 0.01 1 289 . 48 GLN CB C 32.2 0.20 1 290 . 48 GLN HB2 H 2.19 0.01 2 291 . 48 GLN HB3 H 1.66 0.01 2 292 . 48 GLN HG2 H 1.97 0.01 2 293 . 48 GLN C C 174.1 0.20 1 294 . 49 ALA N N 120.4 0.25 1 295 . 49 ALA H H 7.83 0.01 1 296 . 49 ALA CA C 49.2 0.20 1 297 . 49 ALA HA H 5.11 0.01 1 298 . 49 ALA CB C 22.9 0.20 1 299 . 49 ALA HB H 1.30 0.01 1 300 . 49 ALA C C 176.1 0.20 1 301 . 50 ALA N N 121.7 0.25 1 302 . 50 ALA H H 8.79 0.01 1 303 . 50 ALA CA C 49.9 0.20 1 304 . 50 ALA HA H 4.82 0.01 1 305 . 50 ALA CB C 21.2 0.20 1 306 . 50 ALA HB H 1.33 0.01 1 307 . 50 ALA C C 177.7 0.20 1 308 . 51 VAL N N 114.3 0.25 1 309 . 51 VAL H H 8.48 0.01 1 310 . 51 VAL CA C 56.6 0.20 1 311 . 51 VAL HA H 4.99 0.01 1 312 . 51 VAL CB C 32.0 0.20 1 313 . 52 PRO CA C 61.3 0.20 1 314 . 52 PRO CB C 31.3 0.20 1 315 . 52 PRO C C 177.8 0.20 1 316 . 53 LYS N N 117.9 0.25 1 317 . 53 LYS H H 8.43 0.01 1 318 . 53 LYS CA C 57.3 0.20 1 319 . 53 LYS HA H 5.10 0.01 1 320 . 53 LYS CB C 31.3 0.20 1 321 . 54 THR CA C 61.9 0.20 1 322 . 54 THR CB C 67.7 0.20 1 323 . 54 THR C C 175.3 0.20 1 324 . 55 PHE N N 120.8 0.25 1 325 . 55 PHE H H 8.15 0.01 1 326 . 55 PHE CA C 54.9 0.20 1 327 . 55 PHE HA H 5.16 0.01 1 328 . 55 PHE CB C 40.2 0.20 1 329 . 55 PHE HB2 H 3.10 0.01 2 330 . 55 PHE HB3 H 2.96 0.01 2 331 . 55 PHE C C 176.2 0.20 1 332 . 56 GLN N N 116.2 0.25 1 333 . 56 GLN H H 8.27 0.01 1 334 . 56 GLN CA C 53.6 0.20 1 335 . 56 GLN HA H 4.80 0.01 1 336 . 56 GLN CB C 31.1 0.20 1 337 . 56 GLN HB2 H 2.38 0.01 2 338 . 56 GLN HB3 H 2.01 0.01 2 339 . 56 GLN HG2 H 2.19 0.01 2 340 . 56 GLN C C 175.5 0.20 1 341 . 57 LEU N N 123.7 0.25 1 342 . 57 LEU H H 8.80 0.01 1 343 . 57 LEU CA C 52.8 0.20 1 344 . 57 LEU HA H 5.44 0.01 1 345 . 57 LEU CB C 44.9 0.20 1 346 . 57 LEU HB2 H 1.61 0.01 2 347 . 57 LEU HD1 H 0.84 0.01 2 348 . 57 LEU C C 177.1 0.20 1 349 . 58 GLN N N 123.9 0.25 1 350 . 58 GLN H H 9.00 0.01 1 351 . 58 GLN CA C 53.5 0.20 1 352 . 58 GLN HA H 4.67 0.01 1 353 . 58 GLN CB C 30.6 0.20 1 354 . 58 GLN HB2 H 2.37 0.01 2 355 . 58 GLN HB3 H 2.04 0.01 2 356 . 58 GLN HG2 H 2.25 0.01 2 357 . 58 GLN HG3 H 1.97 0.01 2 358 . 58 GLN C C 174.9 0.20 1 359 . 59 LEU N N 127.3 0.25 1 360 . 59 LEU H H 8.95 0.01 1 361 . 59 LEU CA C 53.8 0.20 1 362 . 59 LEU HA H 4.91 0.01 1 363 . 59 LEU CB C 42.5 0.20 1 364 . 59 LEU HB2 H 1.60 0.01 2 365 . 59 LEU C C 177.7 0.20 1 366 . 60 LEU N N 127.2 0.25 1 367 . 60 LEU H H 8.66 0.01 1 368 . 60 LEU CA C 53.5 0.20 1 369 . 60 LEU HA H 4.70 0.01 1 370 . 60 LEU CB C 39.7 0.20 1 371 . 60 LEU C C 177.4 0.20 1 372 . 61 SER N N 113.8 0.25 1 373 . 61 SER H H 8.16 0.01 1 374 . 61 SER CA C 56.6 0.20 1 375 . 61 SER CB C 61.5 0.20 1 376 . 62 PRO CA C 60.5 0.20 1 377 . 62 PRO CB C 31.5 0.20 1 378 . 62 PRO C C 179.1 0.20 1 379 . 63 SER N N 114.8 0.25 1 380 . 63 SER H H 9.09 0.01 1 381 . 63 SER CA C 59.8 0.20 1 382 . 63 SER CB C 62.0 0.20 1 383 . 63 SER C C 175.9 0.20 1 384 . 64 SER N N 112.3 0.25 1 385 . 64 SER H H 7.43 0.01 1 386 . 64 SER CA C 55.7 0.20 1 387 . 64 SER HA H 4.26 0.01 1 388 . 64 SER CB C 62.5 0.20 1 389 . 64 SER HB2 H 3.68 0.01 2 390 . 65 SER CA C 57.1 0.20 1 391 . 65 SER CB C 63.8 0.20 1 392 . 65 SER C C 173.7 0.20 1 393 . 66 VAL N N 121.3 0.25 1 394 . 66 VAL H H 7.91 0.01 1 395 . 66 VAL CA C 59.0 0.20 1 396 . 66 VAL HA H 4.92 0.01 1 397 . 66 VAL CB C 33.8 0.20 1 398 . 66 VAL HB H 1.85 0.01 1 399 . 66 VAL HG1 H 0.94 0.01 2 400 . 66 VAL HG2 H 0.69 0.01 2 401 . 66 VAL C C 175.7 0.20 1 402 . 67 VAL N N 127.6 0.25 1 403 . 67 VAL H H 9.16 0.01 1 404 . 67 VAL CA C 56.7 0.20 1 405 . 67 VAL HA H 4.31 0.01 1 406 . 67 VAL CB C 29.0 0.20 1 407 . 67 VAL HB H 2.04 0.01 1 408 . 67 VAL HG1 H 0.59 0.01 2 409 . 68 PRO CA C 61.9 0.20 1 410 . 68 PRO CB C 31.9 0.20 1 411 . 68 PRO C C 176.8 0.20 1 412 . 69 ALA N N 120.3 0.25 1 413 . 69 ALA H H 8.37 0.01 1 414 . 69 ALA CA C 51.0 0.20 1 415 . 69 ALA CB C 19.2 0.20 1 416 . 69 ALA HB H 0.96 0.01 1 417 . 69 ALA C C 178.7 0.20 1 418 . 70 PHE N N 113.2 0.25 1 419 . 70 PHE H H 8.67 0.01 1 420 . 70 PHE CA C 57.7 0.20 1 421 . 70 PHE HA H 4.06 0.01 1 422 . 70 PHE CB C 35.0 0.20 1 423 . 70 PHE HB2 H 3.42 0.01 2 424 . 70 PHE HB3 H 3.05 0.01 2 425 . 70 PHE C C 176.3 0.20 1 426 . 71 ASN N N 113.2 0.25 1 427 . 71 ASN H H 9.47 0.01 1 428 . 71 ASN CA C 53.8 0.20 1 429 . 71 ASN HA H 5.05 0.01 1 430 . 71 ASN CB C 36.5 0.20 1 431 . 71 ASN HB2 H 3.11 0.01 2 432 . 71 ASN HB3 H 2.65 0.01 2 433 . 71 ASN C C 178.8 0.20 1 434 . 72 THR N N 106.7 0.25 1 435 . 72 THR H H 7.34 0.01 1 436 . 72 THR CA C 62.1 0.20 1 437 . 72 THR HA H 4.68 0.01 1 438 . 72 THR CB C 68.2 0.20 1 439 . 72 THR HB H 4.21 0.01 1 440 . 72 THR HG2 H 1.38 0.01 1 441 . 72 THR C C 175.8 0.20 1 442 . 73 GLY N N 107.0 0.25 1 443 . 73 GLY H H 7.20 0.01 1 444 . 73 GLY CA C 43.5 0.20 1 445 . 73 GLY HA2 H 4.12 0.01 2 446 . 73 GLY C C 172.7 0.20 1 447 . 74 THR N N 111.0 0.25 1 448 . 74 THR H H 8.34 0.01 1 449 . 74 THR CA C 58.2 0.20 1 450 . 74 THR HA H 5.23 0.01 1 451 . 74 THR CB C 71.4 0.20 1 452 . 74 THR C C 177.3 0.20 1 453 . 75 ILE N N 118.5 0.25 1 454 . 75 ILE H H 8.19 0.01 1 455 . 75 ILE CA C 60.3 0.20 1 456 . 75 ILE HA H 4.15 0.01 1 457 . 75 ILE CB C 39.2 0.20 1 458 . 75 ILE HG2 H 0.89 0.01 1 459 . 75 ILE C C 176.5 0.20 1 460 . 76 THR N N 117.8 0.25 1 461 . 76 THR H H 8.64 0.01 1 462 . 76 THR CA C 58.4 0.20 1 463 . 76 THR HA H 5.62 0.01 1 464 . 76 THR CB C 70.6 0.20 1 465 . 76 THR HB H 3.90 0.01 1 466 . 76 THR HG2 H 1.11 0.01 1 467 . 76 THR C C 175.2 0.20 1 468 . 77 GLN N N 123.6 0.25 1 469 . 77 GLN H H 7.99 0.01 1 470 . 77 GLN CA C 55.0 0.20 1 471 . 77 GLN HA H 4.45 0.01 1 472 . 77 GLN CB C 29.6 0.20 1 473 . 77 GLN HB2 H 2.09 0.01 2 474 . 77 GLN HB3 H 1.64 0.01 2 475 . 77 GLN C C 174.0 0.20 1 476 . 78 VAL N N 128.3 0.25 1 477 . 78 VAL H H 8.45 0.01 1 478 . 78 VAL CA C 60.9 0.20 1 479 . 78 VAL HA H 4.77 0.01 1 480 . 78 VAL CB C 32.0 0.20 1 481 . 78 VAL HB H 1.86 0.01 1 482 . 78 VAL HG1 H 0.91 0.01 2 483 . 78 VAL HG2 H 0.77 0.01 2 484 . 78 VAL C C 175.1 0.20 1 485 . 79 ILE N N 123.8 0.25 1 486 . 79 ILE H H 9.33 0.01 1 487 . 79 ILE CA C 58.1 0.20 1 488 . 79 ILE HA H 4.89 0.01 1 489 . 79 ILE CB C 40.1 0.20 1 490 . 79 ILE HB H 1.73 0.01 1 491 . 79 ILE HG2 H 0.83 0.01 1 492 . 79 ILE C C 176.2 0.20 1 493 . 80 LYS N N 124.0 0.25 1 494 . 80 LYS H H 9.21 0.01 1 495 . 80 LYS CA C 54.2 0.20 1 496 . 80 LYS HA H 5.06 0.01 1 497 . 80 LYS CB C 33.3 0.20 1 498 . 80 LYS HB2 H 1.78 0.01 2 499 . 80 LYS HB3 H 1.66 0.01 2 500 . 80 LYS C C 176.7 0.20 1 501 . 81 VAL N N 123.5 0.25 1 502 . 81 VAL H H 9.06 0.01 1 503 . 81 VAL CA C 59.5 0.20 1 504 . 81 VAL HA H 4.91 0.01 1 505 . 81 VAL CB C 33.1 0.20 1 506 . 81 VAL HB H 2.12 0.01 1 507 . 81 VAL HG1 H 0.99 0.01 2 508 . 81 VAL HG2 H 0.84 0.01 2 509 . 81 VAL C C 175.3 0.20 1 510 . 82 LEU N N 129.2 0.25 1 511 . 82 LEU H H 9.15 0.01 1 512 . 82 LEU CA C 53.6 0.20 1 513 . 82 LEU HA H 4.95 0.01 1 514 . 82 LEU CB C 42.2 0.20 1 515 . 82 LEU HB2 H 1.74 0.01 2 516 . 82 LEU HB3 H 1.66 0.01 2 517 . 82 LEU HD1 H 0.84 0.01 2 518 . 82 LEU C C 176.9 0.20 1 519 . 83 ASN N N 120.4 0.25 1 520 . 83 ASN H H 8.76 0.01 1 521 . 83 ASN CA C 53.2 0.20 1 522 . 83 ASN HA H 5.17 0.01 1 523 . 83 ASN CB C 38.6 0.20 1 524 . 83 ASN HB2 H 3.46 0.01 2 525 . 84 PRO CA C 63.6 0.20 1 526 . 84 PRO CB C 31.0 0.20 1 527 . 84 PRO C C 179.4 0.20 1 528 . 85 GLN N N 113.8 0.25 1 529 . 85 GLN H H 8.70 0.01 1 530 . 85 GLN CA C 54.0 0.20 1 531 . 85 GLN HA H 4.40 0.01 1 532 . 85 GLN CB C 27.0 0.20 1 533 . 85 GLN HB2 H 2.30 0.01 2 534 . 85 GLN HB3 H 1.91 0.01 2 535 . 85 GLN C C 176.3 0.20 1 536 . 86 LYS N N 118.6 0.25 1 537 . 86 LYS H H 7.63 0.01 1 538 . 86 LYS CA C 56.6 0.20 1 539 . 86 LYS HA H 3.83 0.01 1 540 . 86 LYS CB C 28.1 0.20 1 541 . 86 LYS HB2 H 2.00 0.01 2 542 . 86 LYS HG2 H 1.40 0.01 2 543 . 86 LYS C C 176.4 0.20 1 544 . 87 GLN N N 116.4 0.25 1 545 . 87 GLN H H 8.11 0.01 1 546 . 87 GLN CA C 52.6 0.20 1 547 . 87 GLN HA H 4.30 0.01 1 548 . 87 GLN CB C 30.1 0.20 1 549 . 87 GLN HB2 H 2.13 0.01 2 550 . 87 GLN HB3 H 1.58 0.01 2 551 . 87 GLN HG2 H 1.97 0.01 2 552 . 87 GLN C C 176.6 0.20 1 553 . 88 GLN N N 119.1 0.25 1 554 . 88 GLN H H 7.81 0.01 1 555 . 88 GLN CA C 54.9 0.20 1 556 . 88 GLN HA H 4.68 0.01 1 557 . 88 GLN CB C 26.6 0.20 1 558 . 89 LEU CA C 53.8 0.20 1 559 . 89 LEU CB C 41.3 0.20 1 560 . 89 LEU C C 174.3 0.20 1 561 . 90 ARG N N 118.7 0.25 1 562 . 90 ARG H H 6.24 0.01 1 563 . 90 ARG CA C 53.8 0.20 1 564 . 90 ARG HA H 4.73 0.01 1 565 . 90 ARG CB C 32.4 0.20 1 566 . 90 ARG HB2 H 1.94 0.01 2 567 . 90 ARG HB3 H 1.60 0.01 2 568 . 90 ARG HG2 H 1.46 0.01 2 569 . 90 ARG C C 174.7 0.20 1 570 . 91 MET N N 117.0 0.25 1 571 . 91 MET H H 8.40 0.01 1 572 . 91 MET CA C 54.3 0.20 1 573 . 91 MET HA H 5.07 0.01 1 574 . 91 MET CB C 38.6 0.20 1 575 . 91 MET HB2 H 2.44 0.01 2 576 . 91 MET HB3 H 2.16 0.01 2 577 . 91 MET C C 174.7 0.20 1 578 . 92 ARG N N 125.5 0.25 1 579 . 92 ARG H H 8.81 0.01 1 580 . 92 ARG CA C 53.9 0.20 1 581 . 92 ARG HA H 5.16 0.01 1 582 . 92 ARG CB C 31.4 0.20 1 583 . 92 ARG HB2 H 1.70 0.01 2 584 . 92 ARG HG2 H 1.48 0.01 2 585 . 92 ARG C C 177.1 0.20 1 586 . 93 ILE N N 119.3 0.25 1 587 . 93 ILE H H 9.34 0.01 1 588 . 93 ILE CA C 57.7 0.20 1 589 . 93 ILE HA H 5.04 0.01 1 590 . 93 ILE CB C 39.4 0.20 1 591 . 93 ILE C C 174.3 0.20 1 592 . 94 LYS N N 123.8 0.25 1 593 . 94 LYS H H 8.31 0.01 1 594 . 94 LYS CA C 53.6 0.20 1 595 . 94 LYS HA H 4.97 0.01 1 596 . 94 LYS CB C 34.7 0.20 1 597 . 94 LYS HB2 H 1.45 0.01 2 598 . 94 LYS HG2 H 1.18 0.01 2 599 . 94 LYS C C 175.3 0.20 1 600 . 95 LEU N N 125.5 0.25 1 601 . 95 LEU H H 8.65 0.01 1 602 . 95 LEU CA C 51.2 0.20 1 603 . 95 LEU HA H 5.13 0.01 1 604 . 95 LEU CB C 43.7 0.20 1 605 . 95 LEU HB2 H 1.48 0.01 2 606 . 95 LEU HB3 H 1.24 0.01 2 607 . 95 LEU C C 177.3 0.20 1 608 . 96 THR N N 113.0 0.25 1 609 . 96 THR H H 8.03 0.01 1 610 . 96 THR CA C 59.1 0.20 1 611 . 96 THR HA H 5.11 0.01 1 612 . 96 THR CB C 70.5 0.20 1 613 . 96 THR HB H 4.22 0.01 1 614 . 96 THR HG2 H 1.17 0.01 1 615 . 96 THR C C 173.4 0.20 1 616 . 97 TYR N N 114.6 0.25 1 617 . 97 TYR H H 8.04 0.01 1 618 . 97 TYR CA C 55.6 0.20 1 619 . 97 TYR HA H 4.83 0.01 1 620 . 97 TYR CB C 36.3 0.20 1 621 . 97 TYR C C 173.4 0.20 1 622 . 98 ASN N N 117.8 0.25 1 623 . 98 ASN H H 9.54 0.01 1 624 . 98 ASN CA C 50.8 0.20 1 625 . 98 ASN HA H 5.68 0.01 1 626 . 98 ASN CB C 39.3 0.20 1 627 . 98 ASN HB2 H 2.77 0.01 2 628 . 98 ASN HB3 H 2.55 0.01 2 629 . 98 ASN C C 176.3 0.20 1 630 . 99 HIS N N 122.9 0.25 1 631 . 99 HIS H H 9.12 0.01 1 632 . 99 HIS CA C 55.0 0.20 1 633 . 99 HIS HA H 5.10 0.01 1 634 . 99 HIS CB C 35.3 0.20 1 635 . 99 HIS HB2 H 3.25 0.01 2 636 . 99 HIS C C 176.3 0.20 1 637 . 100 LYS N N 126.2 0.25 1 638 . 100 LYS H H 9.31 0.01 1 639 . 100 LYS CA C 55.6 0.20 1 640 . 100 LYS CB C 29.4 0.20 1 641 . 100 LYS C C 177.7 0.20 1 642 . 101 GLY N N 105.3 0.25 1 643 . 101 GLY H H 8.62 0.01 1 644 . 101 GLY CA C 44.1 0.20 1 645 . 101 GLY C C 175.6 0.20 1 646 . 102 SER N N 115.8 0.25 1 647 . 102 SER H H 7.80 0.01 1 648 . 102 SER CA C 56.0 0.20 1 649 . 102 SER HA H 4.74 0.01 1 650 . 102 SER CB C 64.6 0.20 1 651 . 102 SER HB2 H 3.78 0.01 2 652 . 102 SER C C 173.2 0.20 1 653 . 103 ALA N N 127.0 0.25 1 654 . 103 ALA H H 8.33 0.01 1 655 . 103 ALA CA C 50.9 0.20 1 656 . 103 ALA HA H 4.69 0.01 1 657 . 103 ALA CB C 17.3 0.20 1 658 . 103 ALA HB H 1.33 0.01 1 659 . 103 ALA C C 178.3 0.20 1 660 . 104 MET N N 123.4 0.25 1 661 . 104 MET H H 9.05 0.01 1 662 . 104 MET CA C 51.6 0.20 1 663 . 104 MET CB C 30.7 0.20 1 664 . 104 MET C C 177.1 0.20 1 665 . 105 GLN N N 119.1 0.25 1 666 . 105 GLN H H 8.14 0.01 1 667 . 105 GLN CA C 52.9 0.20 1 668 . 105 GLN HA H 5.36 0.01 1 669 . 105 GLN CB C 31.1 0.20 1 670 . 105 GLN HB2 H 2.17 0.01 2 671 . 105 GLN HB3 H 1.97 0.01 2 672 . 105 GLN C C 175.7 0.20 1 673 . 106 ASP N N 121.3 0.25 1 674 . 106 ASP H H 8.91 0.01 1 675 . 106 ASP CA C 51.8 0.20 1 676 . 106 ASP HA H 5.07 0.01 1 677 . 106 ASP CB C 43.5 0.20 1 678 . 106 ASP HB2 H 2.71 0.01 2 679 . 106 ASP HB3 H 2.44 0.01 2 680 . 106 ASP C C 174.8 0.20 1 681 . 107 LEU N N 122.8 0.25 1 682 . 107 LEU H H 8.26 0.01 1 683 . 107 LEU CA C 52.7 0.20 1 684 . 107 LEU HA H 5.34 0.01 1 685 . 107 LEU CB C 44.3 0.20 1 686 . 107 LEU HB2 H 1.60 0.01 2 687 . 107 LEU HD1 H 0.84 0.01 2 688 . 107 LEU C C 176.9 0.20 1 689 . 108 ALA N N 124.2 0.25 1 690 . 108 ALA H H 8.89 0.01 1 691 . 108 ALA CA C 50.0 0.20 1 692 . 108 ALA HA H 4.82 0.01 1 693 . 108 ALA CB C 21.4 0.20 1 694 . 108 ALA HB H 1.48 0.01 1 695 . 108 ALA C C 176.6 0.20 1 696 . 109 GLU N N 120.8 0.25 1 697 . 109 GLU H H 8.71 0.01 1 698 . 109 GLU CA C 54.1 0.20 1 699 . 109 GLU HA H 4.83 0.01 1 700 . 109 GLU CB C 30.1 0.20 1 701 . 109 GLU HB2 H 2.26 0.01 2 702 . 109 GLU HB3 H 2.19 0.01 2 703 . 109 GLU HG2 H 2.04 0.01 2 704 . 109 GLU HG3 H 1.98 0.01 2 705 . 109 GLU C C 177.2 0.20 1 706 . 110 VAL N N 125.0 0.25 1 707 . 110 VAL H H 9.01 0.01 1 708 . 110 VAL CA C 61.1 0.20 1 709 . 110 VAL HA H 4.27 0.01 1 710 . 110 VAL CB C 30.9 0.20 1 711 . 110 VAL HB H 2.22 0.01 1 712 . 110 VAL HG1 H 0.89 0.01 2 713 . 110 VAL HG2 H 0.47 0.01 2 714 . 110 VAL C C 176.2 0.20 1 715 . 111 ASN N N 123.4 0.25 1 716 . 111 ASN H H 8.66 0.01 1 717 . 111 ASN CA C 51.1 0.20 1 718 . 111 ASN CB C 38.7 0.20 1 719 . 111 ASN C C 176.5 0.20 1 720 . 112 ASN N N 118.2 0.25 1 721 . 112 ASN H H 8.59 0.01 1 722 . 112 ASN CA C 51.2 0.20 1 723 . 112 ASN CB C 35.2 0.20 1 724 . 112 ASN C C 176.5 0.20 1 725 . 113 PHE N N 117.9 0.25 1 726 . 113 PHE H H 8.06 0.01 1 727 . 113 PHE CA C 56.7 0.20 1 728 . 113 PHE HA H 4.33 0.01 1 729 . 113 PHE CB C 36.6 0.20 1 730 . 113 PHE HB2 H 2.96 0.01 2 731 . 115 PRO CA C 63.7 0.20 1 732 . 115 PRO CB C 29.7 0.20 1 733 . 115 PRO C C 178.2 0.20 1 734 . 116 GLN N N 114.0 0.25 1 735 . 116 GLN H H 8.95 0.01 1 736 . 116 GLN CA C 57.0 0.20 1 737 . 116 GLN CB C 27.9 0.20 1 738 . 116 GLN C C 178.2 0.20 1 739 . 117 SER N N 111.4 0.25 1 740 . 117 SER H H 8.18 0.01 1 741 . 117 SER CA C 59.5 0.20 1 742 . 117 SER HA H 4.67 0.01 1 743 . 117 SER CB C 63.5 0.20 1 744 . 117 SER HB2 H 3.87 0.01 2 745 . 117 SER C C 174.6 0.20 1 746 . 118 TRP N N 118.1 0.25 1 747 . 118 TRP H H 7.12 0.01 1 748 . 118 TRP CA C 55.6 0.20 1 749 . 118 TRP HA H 4.89 0.01 1 750 . 118 TRP CB C 30.2 0.20 1 751 . 118 TRP HB2 H 3.41 0.01 2 752 . 118 TRP HB3 H 2.74 0.01 2 753 . 118 TRP NE1 N 130.4 0.25 1 754 . 118 TRP HE1 H 10.49 0.01 1 755 . 118 TRP C C 175.3 0.20 1 756 . 119 GLN N N 125.6 0.25 1 757 . 119 GLN H H 7.14 0.01 1 758 . 119 GLN CA C 57.3 0.20 1 759 . 119 GLN HA H 3.72 0.01 1 760 . 119 GLN CB C 27.5 0.20 1 761 . 119 GLN HB2 H 1.49 0.01 2 762 . 119 GLN HB3 H 1.30 0.01 2 stop_ save_