data_5924 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR Solution Structure of the Focal Adhesion Targeting Domain (FAT) of Focal Adhesion Kinase (FAK) in Complex with a Paxillin LD Peptide: Evidence for a Two Site Binding Model ; _BMRB_accession_number 5924 _BMRB_flat_file_name bmr5924.str _Entry_type original _Submission_date 2003-08-28 _Accession_date 2003-08-28 _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 Gao Guanghua . . 2 Prutzman Kirk C . 3 King Michelle L . 4 DeRose Eugene F . 5 London Robert E . 6 Schaller Michael D . 7 Campbell Sharon L . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 618 "13C chemical shifts" 358 "15N chemical shifts" 129 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2004-03-02 original author . stop_ _Original_release_date 2004-03-02 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR solution structure of the focal adhesion targeting domain of focal adhesion kinase in complex with a paxillin LD peptide: evidence for a two site binding model ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 14662767 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Gao Guanghua . . 2 Prutzman Kirk C . 3 King Michelle L . 4 Scheswohl D M . 5 DeRose Eugene F . 6 London Robert E . 7 Schaller Michael D . 8 Campbell Sharon L . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 279 _Journal_issue 9 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 8441 _Page_last 8451 _Year 2004 _Details . save_ ################################## # Molecular system description # ################################## save_system_FAT _Saveframe_category molecular_system _Mol_system_name 'FAT domain of Focal adhesion kinase (920-1053)' _Abbreviation_common FAT _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'FAT of FAK' $FAT 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_FAT _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'FAT domain of Focal adhesion kinase (920-1053)' _Abbreviation_common FAT _Molecular_mass . _Mol_thiol_state 'not present' _Details 'Residues 13-146 reported here correspond to residues 920-1053 of avian FAT of FAK.' ############################## # Polymer residue sequence # ############################## _Residue_count 134 _Mol_residue_sequence ; RSNDKVYENVTGLVKAVIEM SSKIQPAPPEEYVPMVKEVG LALRTLLATVDESLPVLPAS THREIEMAQKLLNSDLAELI NKMKLAQQYVMTSLQQEYKK QMLTAAHALAVDAKNLLDVI DQARLKMISQSRPH ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 13 ARG 2 14 SER 3 15 ASN 4 16 ASP 5 17 LYS 6 18 VAL 7 19 TYR 8 20 GLU 9 21 ASN 10 22 VAL 11 23 THR 12 24 GLY 13 25 LEU 14 26 VAL 15 27 LYS 16 28 ALA 17 29 VAL 18 30 ILE 19 31 GLU 20 32 MET 21 33 SER 22 34 SER 23 35 LYS 24 36 ILE 25 37 GLN 26 38 PRO 27 39 ALA 28 40 PRO 29 41 PRO 30 42 GLU 31 43 GLU 32 44 TYR 33 45 VAL 34 46 PRO 35 47 MET 36 48 VAL 37 49 LYS 38 50 GLU 39 51 VAL 40 52 GLY 41 53 LEU 42 54 ALA 43 55 LEU 44 56 ARG 45 57 THR 46 58 LEU 47 59 LEU 48 60 ALA 49 61 THR 50 62 VAL 51 63 ASP 52 64 GLU 53 65 SER 54 66 LEU 55 67 PRO 56 68 VAL 57 69 LEU 58 70 PRO 59 71 ALA 60 72 SER 61 73 THR 62 74 HIS 63 75 ARG 64 76 GLU 65 77 ILE 66 78 GLU 67 79 MET 68 80 ALA 69 81 GLN 70 82 LYS 71 83 LEU 72 84 LEU 73 85 ASN 74 86 SER 75 87 ASP 76 88 LEU 77 89 ALA 78 90 GLU 79 91 LEU 80 92 ILE 81 93 ASN 82 94 LYS 83 95 MET 84 96 LYS 85 97 LEU 86 98 ALA 87 99 GLN 88 100 GLN 89 101 TYR 90 102 VAL 91 103 MET 92 104 THR 93 105 SER 94 106 LEU 95 107 GLN 96 108 GLN 97 109 GLU 98 110 TYR 99 111 LYS 100 112 LYS 101 113 GLN 102 114 MET 103 115 LEU 104 116 THR 105 117 ALA 106 118 ALA 107 119 HIS 108 120 ALA 109 121 LEU 110 122 ALA 111 123 VAL 112 124 ASP 113 125 ALA 114 126 LYS 115 127 ASN 116 128 LEU 117 129 LEU 118 130 ASP 119 131 VAL 120 132 ILE 121 133 ASP 122 134 GLN 123 135 ALA 124 136 ARG 125 137 LEU 126 138 LYS 127 139 MET 128 140 ILE 129 141 SER 130 142 GLN 131 143 SER 132 144 ARG 133 145 PRO 134 146 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 5266 FAT 100.00 139 100.00 100.00 1.25e-89 BMRB 5677 FAT 100.00 146 100.00 100.00 1.24e-89 PDB 1KTM "Solution Structure Of Fat Domain Of Focal Adhesion Kinase" 100.00 139 100.00 100.00 1.20e-89 PDB 1PV3 "Nmr Solution Structure Of The Avian Fat-Domain Of Focal Adhesion Kinase" 100.00 146 100.00 100.00 1.24e-89 PDB 1QVX "Solution Structure Of The Fat Domain Of Focal Adhesion Kinase" 100.00 134 100.00 100.00 1.08e-89 PDB 2L6F "Nmr Solution Structure Of Fat Domain Of Fak Complexed With Ld2 And Ld4 Motifs Of Paxillin" 100.00 215 100.00 100.00 4.16e-91 PDB 2L6G "Fat-ld2 Double Labeled Construct With Free Ld4 Peptide" 100.00 176 100.00 100.00 1.69e-89 PDB 2L6H "Fat Domain Of Focal Adhesion Kinase Tethered To Ld4 Motif Of Paxillin Via Ggs Linker" 100.00 180 100.00 100.00 5.74e-91 GB AAA48765 "focal adhesion kinase [Gallus gallus]" 100.00 1053 100.00 100.00 5.42e-81 GB AAA48773 "protein-tyrosine kinase [Gallus gallus]" 100.00 359 99.25 99.25 4.10e-85 GB EMC80181 "Focal adhesion kinase 1, partial [Columba livia]" 100.00 1043 99.25 100.00 1.99e-80 GB EOA99770 "Focal adhesion kinase 1, partial [Anas platyrhynchos]" 100.00 1068 99.25 100.00 1.50e-80 GB KFM11460 "Focal adhesion kinase 1, partial [Aptenodytes forsteri]" 100.00 1065 99.25 100.00 1.57e-80 REF NP_990766 "focal adhesion kinase 1 [Gallus gallus]" 100.00 1053 100.00 100.00 5.42e-81 REF XP_002191290 "PREDICTED: focal adhesion kinase 1 isoform 1 [Taeniopygia guttata]" 100.00 1051 97.76 99.25 1.16e-77 REF XP_004174254 "PREDICTED: focal adhesion kinase 1 isoform 2 [Taeniopygia guttata]" 100.00 1054 97.76 99.25 1.17e-77 REF XP_005021656 "PREDICTED: focal adhesion kinase 1 isoform X1 [Anas platyrhynchos]" 100.00 1099 99.25 100.00 1.90e-80 REF XP_005021657 "PREDICTED: focal adhesion kinase 1 isoform X2 [Anas platyrhynchos]" 100.00 1096 99.25 100.00 1.67e-80 SP Q00944 "RecName: Full=Focal adhesion kinase 1; Short=FADK 1; AltName: Full=Focal adhesion kinase-related nonkinase; Short=FRNK; Short=p" 100.00 1053 100.00 100.00 5.42e-81 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $FAT Chicken 9031 Eukaryota Metazoa Gallus gallus 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 $FAT 'recombinant technology' . . . . . 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 $FAT 0.6 mM 0.1 0.6 '[U-13C; U-15N]' stop_ save_ ############################ # Computer software used # ############################ save_NMRPIPE _Saveframe_category software _Name NMRPIPE _Version 2.1 _Details . save_ save_NMRVIEW _Saveframe_category software _Name NMRVIEW _Version 5.0.4 _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 600 _Details . save_ save_NMR_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model Inova _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_simultaneous_13C/15N_edited_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simultaneous 13C/15N edited NOESY' _Sample_label . save_ save_2D_1H-15N_TROSY_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY HSQC' _Sample_label . save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label . save_ save_3D_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label . save_ save_3D_HN(CO)CA_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label . save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label . save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label . save_ save_3D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label . save_ save_3D_HCCH-COSY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label . save_ save_3D_HCCH-TOCSY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_3D_H(CCO)-TOCSY-NNH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)-TOCSY-NNH' _Sample_label . save_ save_3D_(H)C(CO)-TOCSY-NNH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CO)-TOCSY-NNH' _Sample_label . save_ save_2D_(HB)CB(CGCDCE)HE_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _Sample_label . save_ save_2D_(HB)CB(CGCD)HD_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D simultaneous 13C/15N edited NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N TROSY HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)-TOCSY-NNH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)C(CO)-TOCSY-NNH' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCDCE)HE' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D (HB)CB(CGCD)HD' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_expt_cond_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units pH 6.0 0.1 na temperature 310 0.5 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 H 1 'methyl protons' ppm 0.00 external direct cylindrical external parallel 1.000000000 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_shifts_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D simultaneous 13C/15N edited NOESY' '2D 1H-15N TROSY HSQC' '2D 1H-13C HSQC' '3D HNCA' '3D HN(CO)CA' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HCCH-COSY' '3D HCCH-TOCSY' '3D H(CCO)-TOCSY-NNH' '3D (H)C(CO)-TOCSY-NNH' '2D (HB)CB(CGCDCE)HE' '2D (HB)CB(CGCD)HD' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $expt_cond_1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'FAT of FAK' _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 . 1 ARG N N 119.627 0.1 1 2 . 1 ARG H H 8.314 0.01 1 3 . 1 ARG CA C 55.507 0.1 1 4 . 1 ARG HA H 4.346 0.01 1 5 . 1 ARG CB C 30.638 0.1 1 6 . 1 ARG HB3 H 1.588 0.01 2 7 . 1 ARG HB2 H 1.686 0.01 2 8 . 1 ARG CG C 26.576 0.1 1 9 . 1 ARG HG3 H 1.149 0.01 2 10 . 1 ARG HG2 H 1.433 0.01 2 11 . 1 ARG CD C 43.328 0.1 1 12 . 1 ARG HD3 H 2.677 0.01 2 13 . 1 ARG HD2 H 2.938 0.01 2 14 . 2 SER N N 113.472 0.1 1 15 . 2 SER H H 8.031 0.01 1 16 . 2 SER CA C 59.229 0.1 1 17 . 2 SER HA H 4.345 0.01 1 18 . 2 SER CB C 63.631 0.1 1 19 . 2 SER HB3 H 3.844 0.01 1 20 . 2 SER HB2 H 3.844 0.01 1 21 . 3 ASN N N 116.792 0.1 1 22 . 3 ASN H H 8.606 0.01 1 23 . 3 ASN CA C 53.536 0.1 1 24 . 3 ASN HA H 4.656 0.01 1 25 . 3 ASN CB C 38.506 0.1 1 26 . 3 ASN HB3 H 2.797 0.01 2 27 . 3 ASN HB2 H 2.950 0.01 2 28 . 3 ASN ND2 N 113.479 0.1 1 29 . 3 ASN HD21 H 7.586 0.01 2 30 . 3 ASN HD22 H 6.839 0.01 2 31 . 4 ASP N N 116.487 0.1 1 32 . 4 ASP H H 7.965 0.01 1 33 . 4 ASP CA C 53.203 0.1 1 34 . 4 ASP HA H 4.754 0.01 1 35 . 4 ASP CB C 41.937 0.1 1 36 . 4 ASP HB3 H 2.569 0.01 2 37 . 4 ASP HB2 H 3.048 0.01 2 38 . 5 LYS N N 122.516 0.1 1 39 . 5 LYS H H 8.588 0.01 1 40 . 5 LYS CA C 58.811 0.1 1 41 . 5 LYS HA H 4.124 0.01 1 42 . 5 LYS CB C 32.669 0.1 1 43 . 5 LYS HB3 H 1.844 0.01 1 44 . 5 LYS HB2 H 1.844 0.01 1 45 . 5 LYS CG C 25.054 0.1 1 46 . 5 LYS HG3 H 1.553 0.01 2 47 . 5 LYS HG2 H 1.608 0.01 2 48 . 5 LYS CD C 29.117 0.1 1 49 . 5 LYS HD3 H 1.728 0.01 1 50 . 5 LYS HD2 H 1.728 0.01 1 51 . 5 LYS CE C 42.059 0.1 1 52 . 5 LYS HE3 H 3.026 0.01 1 53 . 5 LYS HE2 H 3.026 0.01 1 54 . 6 VAL N N 115.512 0.1 1 55 . 6 VAL H H 7.996 0.01 1 56 . 6 VAL CA C 67.236 0.1 1 57 . 6 VAL HA H 3.484 0.01 1 58 . 6 VAL CB C 31.030 0.1 1 59 . 6 VAL HB H 2.321 0.01 1 60 . 6 VAL CG2 C 21.756 0.1 1 61 . 6 VAL HG2 H 0.855 0.01 2 62 . 6 VAL CG1 C 22.772 0.1 1 63 . 6 VAL HG1 H 0.964 0.01 2 64 . 7 TYR N N 117.641 0.1 1 65 . 7 TYR H H 7.848 0.01 1 66 . 7 TYR CA C 62.467 0.1 1 67 . 7 TYR HA H 3.894 0.01 1 68 . 7 TYR CB C 38.519 0.1 1 69 . 7 TYR HB3 H 3.091 0.01 2 70 . 7 TYR HB2 H 3.184 0.01 2 71 . 7 TYR CD1 C 132.500 0.1 1 72 . 7 TYR HD1 H 7.104 0.01 1 73 . 7 TYR CE1 C 118.630 0.1 1 74 . 7 TYR HE1 H 6.888 0.01 1 75 . 7 TYR CE2 C 118.630 0.1 1 76 . 7 TYR HE2 H 6.888 0.01 1 77 . 7 TYR CD2 C 132.500 0.1 1 78 . 7 TYR HD2 H 7.104 0.01 1 79 . 8 GLU N N 116.706 0.1 1 80 . 8 GLU H H 8.534 0.01 1 81 . 8 GLU CA C 59.582 0.1 1 82 . 8 GLU HA H 3.952 0.01 1 83 . 8 GLU CB C 29.734 0.1 1 84 . 8 GLU HB3 H 2.139 0.01 2 85 . 8 GLU HB2 H 2.204 0.01 2 86 . 8 GLU CG C 36.230 0.1 1 87 . 8 GLU HG3 H 2.326 0.01 2 88 . 8 GLU HG2 H 2.490 0.01 2 89 . 9 ASN N N 114.484 0.1 1 90 . 9 ASN H H 8.384 0.01 1 91 . 9 ASN CA C 55.519 0.1 1 92 . 9 ASN HA H 4.734 0.01 1 93 . 9 ASN CB C 39.507 0.1 1 94 . 9 ASN HB3 H 2.545 0.01 2 95 . 9 ASN HB2 H 2.930 0.01 2 96 . 10 VAL N N 122.618 0.1 1 97 . 10 VAL H H 8.936 0.01 1 98 . 10 VAL CA C 68.105 0.1 1 99 . 10 VAL HA H 3.659 0.01 1 100 . 10 VAL CB C 31.377 0.1 1 101 . 10 VAL HB H 2.196 0.01 1 102 . 10 VAL CG2 C 24.808 0.1 1 103 . 10 VAL HG2 H 1.095 0.01 2 104 . 10 VAL CG1 C 21.754 0.1 1 105 . 10 VAL HG1 H 0.801 0.01 2 106 . 11 THR N N 111.832 0.1 1 107 . 11 THR H H 8.373 0.01 1 108 . 11 THR CA C 67.412 0.1 1 109 . 11 THR HB H 2.264 0.01 1 110 . 11 THR CG2 C 21.900 0.1 1 111 . 11 THR HG2 H 0.897 0.01 1 112 . 12 GLY N N 104.725 0.1 1 113 . 12 GLY H H 8.333 0.01 1 114 . 12 GLY CA C 47.272 0.1 1 115 . 12 GLY HA3 H 3.822 0.01 2 116 . 12 GLY HA2 H 4.022 0.01 2 117 . 13 LEU N N 120.853 0.1 1 118 . 13 LEU H H 7.696 0.01 1 119 . 13 LEU CA C 57.946 0.1 1 120 . 13 LEU HA H 4.182 0.01 1 121 . 13 LEU CB C 41.867 0.1 1 122 . 13 LEU HB3 H 1.457 0.01 1 123 . 13 LEU HB2 H 1.457 0.01 1 124 . 13 LEU HG H 1.457 0.01 1 125 . 13 LEU HD1 H 0.974 0.01 2 126 . 13 LEU HD2 H 0.886 0.01 2 127 . 14 VAL N N 116.913 0.1 1 128 . 14 VAL H H 8.432 0.01 1 129 . 14 VAL CA C 68.250 0.1 1 130 . 14 VAL HA H 3.347 0.01 1 131 . 14 VAL CB C 31.144 0.1 1 132 . 14 VAL HB H 2.122 0.01 1 133 . 14 VAL CG2 C 23.020 0.1 1 134 . 14 VAL HG2 H 0.888 0.01 2 135 . 14 VAL CG1 C 23.020 0.1 1 136 . 14 VAL HG1 H 0.984 0.01 2 137 . 15 LYS N N 115.997 0.1 1 138 . 15 LYS H H 8.755 0.01 1 139 . 15 LYS CA C 60.838 0.1 1 140 . 15 LYS HA H 3.944 0.01 1 141 . 15 LYS CB C 32.416 0.1 1 142 . 15 LYS HB3 H 1.959 0.01 1 143 . 15 LYS HB2 H 1.959 0.01 1 144 . 15 LYS CG C 26.578 0.1 1 145 . 15 LYS HG3 H 1.674 0.01 1 146 . 15 LYS HG2 H 1.674 0.01 1 147 . 15 LYS CD C 29.626 0.1 1 148 . 15 LYS CE C 42.311 0.1 1 149 . 15 LYS HE3 H 2.900 0.01 1 150 . 15 LYS HE2 H 2.900 0.01 1 151 . 16 ALA N N 119.026 0.1 1 152 . 16 ALA H H 7.924 0.01 1 153 . 16 ALA CA C 55.133 0.1 1 154 . 16 ALA HA H 4.292 0.01 1 155 . 16 ALA CB C 17.440 0.1 1 156 . 16 ALA HB H 1.591 0.01 1 157 . 17 VAL N N 117.120 0.1 1 158 . 17 VAL H H 8.414 0.01 1 159 . 17 VAL CA C 67.397 0.1 1 160 . 17 VAL HA H 3.601 0.01 1 161 . 17 VAL CB C 31.610 0.1 1 162 . 17 VAL HB H 2.426 0.01 1 163 . 17 VAL CG2 C 22.766 0.1 1 164 . 17 VAL HG2 H 0.963 0.01 2 165 . 17 VAL CG1 C 23.787 0.1 1 166 . 17 VAL HG1 H 1.156 0.01 2 167 . 18 ILE N N 123.279 0.1 1 168 . 18 ILE H H 8.837 0.01 1 169 . 18 ILE CA C 66.605 0.1 1 170 . 18 ILE HA H 3.523 0.01 1 171 . 18 ILE HB H 2.055 0.01 1 172 . 18 ILE HG13 H 1.854 0.01 1 173 . 18 ILE HG12 H 1.854 0.01 1 174 . 18 ILE CD1 C 14.897 0.1 1 175 . 18 ILE HD1 H 0.960 0.01 1 176 . 18 ILE CG2 C 17.451 0.1 1 177 . 18 ILE HG2 H 0.962 0.01 1 178 . 19 GLU N N 117.885 0.1 1 179 . 19 GLU H H 8.354 0.01 1 180 . 19 GLU CA C 59.740 0.1 1 181 . 19 GLU HA H 4.107 0.01 1 182 . 19 GLU CB C 29.147 0.1 1 183 . 19 GLU HB3 H 2.098 0.01 1 184 . 19 GLU HB2 H 2.098 0.01 1 185 . 19 GLU CG C 35.965 0.1 1 186 . 19 GLU HG3 H 2.336 0.01 1 187 . 19 GLU HG2 H 2.336 0.01 1 188 . 20 MET N N 115.094 0.1 1 189 . 20 MET H H 8.127 0.01 1 190 . 20 MET CA C 59.353 0.1 1 191 . 20 MET HA H 4.061 0.01 1 192 . 20 MET CB C 33.477 0.1 1 193 . 20 MET HB3 H 2.314 0.01 1 194 . 20 MET HB2 H 2.314 0.01 1 195 . 20 MET CG C 31.656 0.1 1 196 . 20 MET HG3 H 2.545 0.01 1 197 . 20 MET HG2 H 2.545 0.01 1 198 . 21 SER N N 110.387 0.1 1 199 . 21 SER H H 8.481 0.01 1 200 . 21 SER CA C 62.690 0.1 1 201 . 21 SER HA H 4.038 0.01 1 202 . 21 SER HB3 H 3.777 0.01 1 203 . 21 SER HB2 H 3.777 0.01 1 204 . 22 SER N N 111.899 0.1 1 205 . 22 SER H H 8.053 0.01 1 206 . 22 SER CA C 60.754 0.1 1 207 . 22 SER HA H 4.358 0.01 1 208 . 22 SER HB3 H 3.995 0.01 1 209 . 22 SER HB2 H 3.995 0.01 1 210 . 23 LYS N N 116.692 0.1 1 211 . 23 LYS H H 7.794 0.01 1 212 . 23 LYS CA C 57.671 0.1 1 213 . 23 LYS HA H 4.359 0.01 1 214 . 23 LYS HB3 H 1.962 0.01 1 215 . 23 LYS HB2 H 1.962 0.01 1 216 . 23 LYS HG3 H 1.460 0.01 1 217 . 23 LYS HG2 H 1.460 0.01 1 218 . 23 LYS HD3 H 1.722 0.01 1 219 . 23 LYS HD2 H 1.722 0.01 1 220 . 23 LYS HE3 H 2.991 0.01 1 221 . 23 LYS HE2 H 2.991 0.01 1 222 . 24 ILE N N 113.630 0.1 1 223 . 24 ILE H H 7.914 0.01 1 224 . 24 ILE CA C 64.063 0.1 1 225 . 24 ILE HA H 3.952 0.01 1 226 . 24 ILE HB H 1.979 0.01 1 227 . 24 ILE HD1 H 0.611 0.01 1 228 . 24 ILE CG2 C 17.948 0.1 1 229 . 24 ILE HG2 H 0.875 0.01 1 230 . 25 GLN N N 116.617 0.1 1 231 . 25 GLN H H 8.180 0.01 1 232 . 25 GLN CA C 62.042 0.1 1 233 . 25 GLN HA H 4.164 0.01 1 234 . 25 GLN CB C 25.435 0.1 1 235 . 25 GLN HB3 H 2.249 0.01 1 236 . 25 GLN HB2 H 2.249 0.01 1 237 . 25 GLN CG C 34.052 0.1 1 238 . 25 GLN HG3 H 2.402 0.01 2 239 . 25 GLN HG2 H 2.622 0.01 2 240 . 25 GLN NE2 N 111.617 0.1 1 241 . 25 GLN HE21 H 7.438 0.01 2 242 . 25 GLN HE22 H 6.858 0.01 2 243 . 26 PRO CA C 63.889 0.1 1 244 . 26 PRO HA H 4.783 0.01 1 245 . 26 PRO CB C 31.803 0.1 1 246 . 26 PRO HB3 H 2.246 0.01 1 247 . 26 PRO HB2 H 2.246 0.01 1 248 . 26 PRO CG C 26.942 0.1 1 249 . 26 PRO HG3 H 2.072 0.01 1 250 . 26 PRO HG2 H 2.072 0.01 1 251 . 26 PRO CD C 48.396 0.1 1 252 . 27 ALA N N 119.892 0.1 1 253 . 27 ALA H H 7.066 0.01 1 254 . 27 ALA CA C 51.380 0.1 1 255 . 27 ALA CB C 19.492 0.1 1 256 . 27 ALA HB H 1.600 0.01 1 257 . 29 PRO CA C 64.141 0.1 1 258 . 29 PRO HA H 3.964 0.01 1 259 . 29 PRO CB C 31.914 0.1 1 260 . 29 PRO HB3 H 1.989 0.01 1 261 . 29 PRO HB2 H 1.989 0.01 1 262 . 29 PRO CG C 27.844 0.1 1 263 . 29 PRO CD C 50.182 0.1 1 264 . 30 GLU N N 114.077 0.1 1 265 . 30 GLU H H 9.363 0.01 1 266 . 30 GLU CA C 59.563 0.1 1 267 . 30 GLU HA H 4.083 0.01 1 268 . 30 GLU CB C 28.604 0.1 1 269 . 30 GLU HB3 H 2.072 0.01 1 270 . 30 GLU HB2 H 2.072 0.01 1 271 . 30 GLU CG C 36.727 0.1 1 272 . 30 GLU HG3 H 2.335 0.01 1 273 . 30 GLU HG2 H 2.335 0.01 1 274 . 31 GLU N N 113.994 0.1 1 275 . 31 GLU H H 8.016 0.01 1 276 . 31 GLU CA C 56.524 0.1 1 277 . 31 GLU HA H 4.477 0.01 1 278 . 31 GLU CB C 30.639 0.1 1 279 . 31 GLU HB3 H 2.027 0.01 1 280 . 31 GLU HB2 H 2.027 0.01 1 281 . 31 GLU CG C 36.731 0.1 1 282 . 31 GLU HG3 H 2.335 0.01 1 283 . 31 GLU HG2 H 2.335 0.01 1 284 . 32 TYR N N 114.210 0.1 1 285 . 32 TYR H H 7.835 0.01 1 286 . 32 TYR CA C 58.530 0.1 1 287 . 32 TYR CB C 37.684 0.1 1 288 . 32 TYR HB3 H 2.963 0.01 2 289 . 32 TYR HB2 H 3.249 0.01 2 290 . 32 TYR CD1 C 131.100 0.1 1 291 . 32 TYR HD1 H 6.847 0.01 1 292 . 32 TYR CE1 C 117.860 0.1 1 293 . 32 TYR HE1 H 6.737 0.01 1 294 . 32 TYR CE2 C 117.860 0.1 1 295 . 32 TYR HE2 H 6.737 0.01 1 296 . 32 TYR CD2 C 131.100 0.1 1 297 . 32 TYR HD2 H 6.847 0.01 1 298 . 33 VAL N N 116.210 0.1 1 299 . 33 VAL H H 8.275 0.01 1 300 . 33 VAL CA C 68.957 0.1 1 301 . 33 VAL HA H 4.011 0.01 1 302 . 33 VAL CB C 29.216 0.1 1 303 . 33 VAL HB H 2.317 0.01 1 304 . 33 VAL HG2 H 1.127 0.01 2 305 . 33 VAL HG1 H 0.966 0.01 2 306 . 34 PRO CA C 65.988 0.1 1 307 . 34 PRO HA H 4.270 0.01 1 308 . 34 PRO CB C 31.144 0.1 1 309 . 34 PRO HB3 H 2.404 0.01 2 310 . 34 PRO HB2 H 1.978 0.01 2 311 . 34 PRO CG C 28.234 0.1 1 312 . 35 MET N N 111.484 0.1 1 313 . 35 MET H H 7.157 0.01 1 314 . 35 MET CA C 59.309 0.1 1 315 . 35 MET HA H 4.275 0.01 1 316 . 35 MET CB C 32.745 0.1 1 317 . 35 MET HB3 H 2.676 0.01 1 318 . 35 MET HB2 H 2.676 0.01 1 319 . 35 MET CG C 32.745 0.1 1 320 . 35 MET HG3 H 2.952 0.01 1 321 . 35 MET HG2 H 2.952 0.01 1 322 . 36 VAL N N 118.030 0.1 1 323 . 36 VAL H H 8.216 0.01 1 324 . 36 VAL CA C 66.584 0.1 1 325 . 36 VAL HA H 3.589 0.01 1 326 . 36 VAL HB H 2.259 0.01 1 327 . 36 VAL HG2 H 1.012 0.01 2 328 . 36 VAL HG1 H 0.893 0.01 2 329 . 37 LYS N N 118.231 0.1 1 330 . 37 LYS H H 8.806 0.01 1 331 . 37 LYS CA C 60.672 0.1 1 332 . 37 LYS HA H 3.733 0.01 1 333 . 37 LYS CB C 32.163 0.1 1 334 . 37 LYS HB3 H 1.891 0.01 1 335 . 37 LYS HB2 H 1.891 0.01 1 336 . 37 LYS CE C 42.057 0.1 1 337 . 38 GLU N N 113.667 0.1 1 338 . 38 GLU H H 7.591 0.01 1 339 . 38 GLU CA C 60.078 0.1 1 340 . 38 GLU HA H 4.039 0.01 1 341 . 38 GLU CB C 29.370 0.1 1 342 . 38 GLU HB3 H 2.246 0.01 1 343 . 38 GLU HB2 H 2.246 0.01 1 344 . 38 GLU CG C 35.966 0.1 1 345 . 38 GLU HG3 H 2.465 0.01 1 346 . 38 GLU HG2 H 2.465 0.01 1 347 . 39 VAL N N 117.015 0.1 1 348 . 39 VAL H H 7.300 0.01 1 349 . 39 VAL CA C 66.836 0.1 1 350 . 39 VAL HA H 3.515 0.01 1 351 . 39 VAL HB H 2.339 0.01 1 352 . 39 VAL CG2 C 22.509 0.1 1 353 . 39 VAL HG2 H 0.804 0.01 2 354 . 39 VAL CG1 C 23.785 0.1 1 355 . 39 VAL HG1 H 1.022 0.01 2 356 . 40 GLY N N 103.613 0.1 1 357 . 40 GLY H H 8.664 0.01 1 358 . 40 GLY CA C 48.149 0.1 1 359 . 40 GLY HA3 H 3.538 0.01 2 360 . 40 GLY HA2 H 3.734 0.01 2 361 . 41 LEU N N 118.776 0.1 1 362 . 41 LEU H H 8.801 0.01 1 363 . 41 LEU CA C 57.798 0.1 1 364 . 41 LEU HA H 4.170 0.01 1 365 . 41 LEU CB C 41.296 0.1 1 366 . 41 LEU HB3 H 1.591 0.01 1 367 . 41 LEU HB2 H 1.591 0.01 1 368 . 41 LEU CD1 C 25.568 0.1 1 369 . 41 LEU HD1 H 0.892 0.01 1 370 . 41 LEU CD2 C 22.765 0.1 1 371 . 41 LEU HD2 H 0.892 0.01 1 372 . 42 ALA N N 120.195 0.1 1 373 . 42 ALA H H 7.816 0.01 1 374 . 42 ALA CA C 54.859 0.1 1 375 . 42 ALA HA H 4.258 0.01 1 376 . 42 ALA CB C 17.442 0.1 1 377 . 42 ALA HB H 1.503 0.01 1 378 . 43 LEU N N 118.673 0.1 1 379 . 43 LEU H H 8.524 0.01 1 380 . 43 LEU CA C 57.661 0.1 1 381 . 43 LEU HB3 H 2.334 0.01 1 382 . 43 LEU HB2 H 2.334 0.01 1 383 . 43 LEU CD1 C 25.564 0.1 1 384 . 43 LEU HD1 H 1.066 0.01 1 385 . 43 LEU CD2 C 25.564 0.1 1 386 . 43 LEU HD2 H 1.066 0.01 1 387 . 44 ARG N N 119.560 0.1 1 388 . 44 ARG H H 8.575 0.01 1 389 . 44 ARG CA C 60.803 0.1 1 390 . 44 ARG HA H 4.127 0.01 1 391 . 44 ARG CB C 28.611 0.1 1 392 . 44 ARG HB3 H 1.893 0.01 1 393 . 44 ARG HB2 H 1.893 0.01 1 394 . 44 ARG HG3 H 1.593 0.01 1 395 . 44 ARG HG2 H 1.593 0.01 1 396 . 44 ARG CD C 42.820 0.1 1 397 . 44 ARG HD3 H 3.209 0.01 1 398 . 44 ARG HD2 H 3.209 0.01 1 399 . 45 THR N N 111.651 0.1 1 400 . 45 THR H H 8.044 0.01 1 401 . 45 THR CA C 66.540 0.1 1 402 . 45 THR HA H 3.952 0.01 1 403 . 45 THR CB C 69.018 0.1 1 404 . 45 THR CG2 C 21.875 0.1 1 405 . 45 THR HG2 H 1.241 0.01 1 406 . 46 LEU N N 118.032 0.1 1 407 . 46 LEU H H 7.408 0.01 1 408 . 46 LEU CA C 58.207 0.1 1 409 . 46 LEU HA H 4.258 0.01 1 410 . 46 LEU CB C 41.045 0.1 1 411 . 46 LEU CD1 C 27.340 0.1 1 412 . 46 LEU HD1 H 0.959 0.01 1 413 . 46 LEU CD2 C 27.340 0.1 1 414 . 46 LEU HD2 H 0.959 0.01 1 415 . 47 LEU N N 115.223 0.1 1 416 . 47 LEU H H 8.927 0.01 1 417 . 47 LEU CA C 59.093 0.1 1 418 . 47 LEU HA H 3.841 0.01 1 419 . 47 LEU CB C 40.786 0.1 1 420 . 47 LEU HB3 H 1.024 0.01 1 421 . 47 LEU HB2 H 1.024 0.01 1 422 . 47 LEU CG C 26.337 0.1 1 423 . 47 LEU HG H 1.024 0.01 1 424 . 47 LEU CD1 C 24.296 0.1 1 425 . 47 LEU HD1 H 0.848 0.01 1 426 . 47 LEU CD2 C 24.296 0.1 1 427 . 47 LEU HD2 H 0.848 0.01 1 428 . 48 ALA N N 118.165 0.1 1 429 . 48 ALA H H 8.449 0.01 1 430 . 48 ALA CA C 55.590 0.1 1 431 . 48 ALA HA H 4.149 0.01 1 432 . 48 ALA CB C 17.940 0.1 1 433 . 48 ALA HB H 1.563 0.01 1 434 . 49 THR N N 113.758 0.1 1 435 . 49 THR H H 8.131 0.01 1 436 . 49 THR CA C 66.179 0.1 1 437 . 49 THR HA H 4.477 0.01 1 438 . 49 THR CG2 C 23.023 0.1 1 439 . 49 THR HG2 H 1.111 0.01 1 440 . 50 VAL N N 120.862 0.1 1 441 . 50 VAL H H 8.446 0.01 1 442 . 50 VAL CA C 67.648 0.1 1 443 . 50 VAL HA H 3.406 0.01 1 444 . 50 VAL CB C 31.145 0.1 1 445 . 50 VAL HB H 2.219 0.01 1 446 . 50 VAL CG2 C 22.770 0.1 1 447 . 50 VAL HG2 H 0.848 0.01 1 448 . 50 VAL CG1 C 22.770 0.1 1 449 . 50 VAL HG1 H 0.848 0.01 1 450 . 51 ASP N N 118.165 0.1 1 451 . 51 ASP H H 8.449 0.01 1 452 . 51 ASP CA C 57.939 0.1 1 453 . 51 ASP HA H 4.434 0.01 1 454 . 51 ASP CB C 40.284 0.1 1 455 . 51 ASP HB3 H 2.873 0.01 2 456 . 51 ASP HB2 H 2.666 0.01 2 457 . 52 GLU N N 113.936 0.1 1 458 . 52 GLU H H 7.776 0.01 1 459 . 52 GLU CA C 58.354 0.1 1 460 . 52 GLU HA H 4.160 0.01 1 461 . 52 GLU CB C 30.127 0.1 1 462 . 52 GLU HB3 H 2.209 0.01 2 463 . 52 GLU HB2 H 2.235 0.01 2 464 . 52 GLU CG C 36.602 0.1 1 465 . 52 GLU HG3 H 2.501 0.01 2 466 . 52 GLU HG2 H 2.404 0.01 2 467 . 53 SER N N 110.679 0.1 1 468 . 53 SER H H 7.728 0.01 1 469 . 53 SER CA C 60.039 0.1 1 470 . 53 SER HA H 4.550 0.01 1 471 . 53 SER CB C 64.273 0.1 1 472 . 53 SER HB3 H 4.049 0.01 2 473 . 53 SER HB2 H 3.899 0.01 2 474 . 54 LEU N N 119.222 0.1 1 475 . 54 LEU H H 7.542 0.01 1 476 . 54 LEU CA C 59.582 0.1 1 477 . 54 LEU HA H 3.914 0.01 1 478 . 54 LEU CB C 40.232 0.1 1 479 . 54 LEU HB3 H 1.832 0.01 2 480 . 54 LEU HB2 H 1.116 0.01 2 481 . 55 PRO CA C 65.703 0.1 1 482 . 55 PRO CB C 31.908 0.1 1 483 . 55 PRO CG C 28.349 0.1 1 484 . 56 VAL N N 106.668 0.1 1 485 . 56 VAL H H 7.431 0.01 1 486 . 56 VAL CA C 61.505 0.1 1 487 . 56 VAL HA H 4.391 0.01 1 488 . 56 VAL CB C 31.906 0.1 1 489 . 56 VAL HB H 2.464 0.01 1 490 . 56 VAL CG2 C 20.221 0.1 1 491 . 56 VAL HG2 H 1.073 0.01 2 492 . 56 VAL CG1 C 21.498 0.1 1 493 . 56 VAL HG1 H 1.018 0.01 2 494 . 57 LEU N N 119.292 0.1 1 495 . 57 LEU H H 7.814 0.01 1 496 . 57 LEU CA C 52.670 0.1 1 497 . 57 LEU HA H 4.846 0.01 1 498 . 57 LEU CB C 41.515 0.1 1 499 . 57 LEU HB3 H 1.744 0.01 2 500 . 57 LEU HB2 H 1.432 0.01 2 501 . 57 LEU HD1 H 0.951 0.01 1 502 . 57 LEU HD2 H 0.951 0.01 1 503 . 60 SER CA C 60.543 0.1 1 504 . 60 SER HA H 4.257 0.01 1 505 . 60 SER HB3 H 3.996 0.01 1 506 . 60 SER HB2 H 3.996 0.01 1 507 . 61 THR N N 109.796 0.1 1 508 . 61 THR H H 8.054 0.01 1 509 . 61 THR CA C 62.970 0.1 1 510 . 61 THR HA H 4.427 0.01 1 511 . 61 THR HG2 H 1.292 0.01 1 512 . 62 HIS N N 117.280 0.1 1 513 . 62 HIS H H 7.696 0.01 1 514 . 62 HIS CA C 59.042 0.1 1 515 . 62 HIS HA H 4.230 0.01 1 516 . 62 HIS CB C 30.510 0.1 1 517 . 62 HIS HB3 H 3.259 0.01 1 518 . 62 HIS HB2 H 3.259 0.01 1 519 . 62 HIS CD2 C 121.154 0.1 1 520 . 62 HIS HD2 H 7.321 0.01 1 521 . 63 ARG N N 116.381 0.1 1 522 . 63 ARG H H 8.721 0.01 1 523 . 63 ARG CA C 59.691 0.1 1 524 . 64 GLU N N 115.935 0.1 1 525 . 64 GLU H H 8.235 0.01 1 526 . 64 GLU CA C 59.605 0.1 1 527 . 64 GLU HA H 4.100 0.01 1 528 . 64 GLU HB3 H 2.107 0.01 2 529 . 64 GLU HB2 H 2.197 0.01 2 530 . 64 GLU HG3 H 2.344 0.01 2 531 . 64 GLU HG2 H 2.407 0.01 2 532 . 65 ILE N N 117.978 0.1 1 533 . 65 ILE H H 7.755 0.01 1 534 . 65 ILE CA C 65.891 0.1 1 535 . 65 ILE HA H 3.564 0.01 1 536 . 65 ILE HB H 1.906 0.01 1 537 . 65 ILE HG13 H 0.936 0.01 1 538 . 65 ILE HG12 H 0.936 0.01 1 539 . 65 ILE HD1 H 0.771 0.01 1 540 . 65 ILE HG2 H 0.771 0.01 1 541 . 66 GLU N N 118.231 0.1 1 542 . 66 GLU H H 8.802 0.01 1 543 . 66 GLU CA C 59.824 0.1 1 544 . 66 GLU HA H 4.127 0.01 1 545 . 66 GLU CB C 29.370 0.1 1 546 . 66 GLU HB3 H 2.247 0.01 1 547 . 66 GLU HB2 H 2.247 0.01 1 548 . 66 GLU CG C 36.474 0.1 1 549 . 66 GLU HG3 H 2.466 0.01 1 550 . 66 GLU HG2 H 2.466 0.01 1 551 . 67 MET N N 114.916 0.1 1 552 . 67 MET H H 8.370 0.01 1 553 . 67 MET CA C 58.373 0.1 1 554 . 67 MET HA H 4.266 0.01 1 555 . 67 MET CB C 32.422 0.1 1 556 . 67 MET HB3 H 2.213 0.01 1 557 . 67 MET HB2 H 2.213 0.01 1 558 . 67 MET CG C 32.422 0.1 1 559 . 67 MET HG3 H 2.808 0.01 2 560 . 67 MET HG2 H 2.721 0.01 2 561 . 68 ALA N N 119.897 0.1 1 562 . 68 ALA H H 7.804 0.01 1 563 . 68 ALA CA C 54.974 0.1 1 564 . 68 ALA HA H 4.238 0.01 1 565 . 68 ALA CB C 18.708 0.1 1 566 . 68 ALA HB H 1.635 0.01 1 567 . 69 GLN N N 114.329 0.1 1 568 . 69 GLN H H 8.303 0.01 1 569 . 69 GLN CA C 60.079 0.1 1 570 . 69 GLN HA H 4.105 0.01 1 571 . 69 GLN CB C 30.384 0.1 1 572 . 69 GLN HB3 H 1.854 0.01 1 573 . 69 GLN HB2 H 1.854 0.01 1 574 . 69 GLN CG C 35.716 0.1 1 575 . 69 GLN HG3 H 2.859 0.01 1 576 . 69 GLN HG2 H 2.859 0.01 1 577 . 70 LYS N N 116.598 0.1 1 578 . 70 LYS H H 8.107 0.01 1 579 . 70 LYS CA C 59.813 0.1 1 580 . 71 LEU N N 117.047 0.1 1 581 . 71 LEU H H 7.754 0.01 1 582 . 71 LEU CA C 57.763 0.1 1 583 . 71 LEU HA H 4.127 0.01 1 584 . 71 LEU CB C 41.807 0.1 1 585 . 71 LEU HB3 H 1.895 0.01 1 586 . 71 LEU HB2 H 1.895 0.01 1 587 . 71 LEU CG C 27.089 0.1 1 588 . 71 LEU HG H 1.699 0.01 1 589 . 71 LEU CD1 C 24.798 0.1 1 590 . 71 LEU HD1 H 0.917 0.01 1 591 . 71 LEU CD2 C 24.043 0.1 1 592 . 71 LEU HD2 H 0.917 0.01 1 593 . 72 LEU N N 114.370 0.1 1 594 . 72 LEU H H 7.268 0.01 1 595 . 72 LEU CA C 58.060 0.1 1 596 . 72 LEU HA H 4.196 0.01 1 597 . 72 LEU CB C 41.044 0.1 1 598 . 72 LEU HB3 H 1.857 0.01 1 599 . 72 LEU HB2 H 1.857 0.01 1 600 . 72 LEU CG C 27.593 0.1 1 601 . 72 LEU HG H 1.524 0.01 1 602 . 72 LEU CD1 C 25.310 0.1 1 603 . 72 LEU HD1 H 0.905 0.01 1 604 . 72 LEU CD2 C 25.310 0.1 1 605 . 72 LEU HD2 H 0.905 0.01 1 606 . 73 ASN N N 115.180 0.1 1 607 . 73 ASN H H 7.618 0.01 1 608 . 73 ASN CA C 56.020 0.1 1 609 . 73 ASN HA H 4.458 0.01 1 610 . 73 ASN CB C 37.745 0.1 1 611 . 73 ASN HB3 H 2.600 0.01 2 612 . 73 ASN HB2 H 2.897 0.01 2 613 . 74 SER N N 114.328 0.1 1 614 . 74 SER H H 8.313 0.01 1 615 . 74 SER CA C 61.882 0.1 1 616 . 74 SER HA H 4.259 0.01 1 617 . 74 SER HB3 H 4.106 0.01 1 618 . 74 SER HB2 H 4.106 0.01 1 619 . 75 ASP N N 120.042 0.1 1 620 . 75 ASP H H 8.710 0.01 1 621 . 75 ASP CA C 56.030 0.1 1 622 . 75 ASP HA H 4.475 0.01 1 623 . 75 ASP CB C 38.506 0.1 1 624 . 75 ASP HB3 H 3.348 0.01 1 625 . 75 ASP HB2 H 3.348 0.01 1 626 . 76 LEU N N 119.138 0.1 1 627 . 76 LEU H H 8.448 0.01 1 628 . 76 LEU CA C 57.702 0.1 1 629 . 76 LEU HA H 4.082 0.01 1 630 . 76 LEU CB C 40.699 0.1 1 631 . 76 LEU HB3 H 2.066 0.01 1 632 . 76 LEU HB2 H 2.066 0.01 1 633 . 76 LEU CG C 27.242 0.1 1 634 . 76 LEU HG H 1.048 0.01 1 635 . 76 LEU CD1 C 23.533 0.1 1 636 . 76 LEU HD1 H 0.884 0.01 1 637 . 76 LEU CD2 C 23.533 0.1 1 638 . 76 LEU HD2 H 0.884 0.01 1 639 . 77 ALA N N 118.904 0.1 1 640 . 77 ALA H H 8.666 0.01 1 641 . 77 ALA CA C 55.736 0.1 1 642 . 77 ALA HA H 3.992 0.01 1 643 . 77 ALA CB C 17.947 0.1 1 644 . 77 ALA HB H 1.597 0.01 1 645 . 78 GLU N N 115.957 0.1 1 646 . 78 GLU H H 8.031 0.01 1 647 . 78 GLU CA C 59.071 0.1 1 648 . 78 GLU HA H 4.338 0.01 1 649 . 78 GLU CB C 29.367 0.1 1 650 . 78 GLU HB3 H 2.300 0.01 1 651 . 78 GLU HB2 H 2.300 0.01 1 652 . 78 GLU CG C 35.705 0.1 1 653 . 78 GLU HG3 H 2.447 0.01 1 654 . 78 GLU HG2 H 2.447 0.01 1 655 . 79 LEU N N 118.045 0.1 1 656 . 79 LEU H H 8.006 0.01 1 657 . 79 LEU CA C 59.154 0.1 1 658 . 80 ILE N N 115.574 0.1 1 659 . 80 ILE H H 8.653 0.01 1 660 . 80 ILE CA C 66.171 0.1 1 661 . 81 ASN N N 116.098 0.1 1 662 . 81 ASN H H 8.448 0.01 1 663 . 81 ASN CA C 56.779 0.1 1 664 . 81 ASN HA H 4.438 0.01 1 665 . 81 ASN CB C 38.579 0.1 1 666 . 81 ASN HB3 H 3.077 0.01 2 667 . 81 ASN HB2 H 2.903 0.01 2 668 . 81 ASN ND2 N 112.739 0.1 1 669 . 81 ASN HD21 H 7.557 0.01 2 670 . 81 ASN HD22 H 6.847 0.01 2 671 . 82 LYS N N 114.085 0.1 1 672 . 82 LYS H H 8.602 0.01 1 673 . 82 LYS CA C 57.560 0.1 1 674 . 82 LYS HA H 4.140 0.01 1 675 . 83 MET N N 118.967 0.1 1 676 . 83 MET H H 8.527 0.01 1 677 . 83 MET CA C 59.582 0.1 1 678 . 83 MET HA H 4.520 0.01 1 679 . 83 MET CB C 31.662 0.1 1 680 . 83 MET HB3 H 2.426 0.01 1 681 . 83 MET HB2 H 2.426 0.01 1 682 . 83 MET CG C 31.662 0.1 1 683 . 83 MET HG3 H 2.553 0.01 1 684 . 83 MET HG2 H 2.553 0.01 1 685 . 83 MET HE H 1.811 0.01 1 686 . 84 LYS N N 115.405 0.1 1 687 . 84 LYS H H 8.389 0.01 1 688 . 84 LYS CA C 59.945 0.1 1 689 . 84 LYS HA H 4.127 0.01 1 690 . 84 LYS CB C 32.161 0.1 1 691 . 84 LYS HB3 H 1.940 0.01 1 692 . 84 LYS HB2 H 1.940 0.01 1 693 . 84 LYS CG C 26.430 0.1 1 694 . 84 LYS HG3 H 1.810 0.01 1 695 . 84 LYS HG2 H 1.810 0.01 1 696 . 84 LYS CD C 29.879 0.1 1 697 . 84 LYS HD3 H 1.459 0.01 1 698 . 84 LYS HD2 H 1.459 0.01 1 699 . 85 LEU N N 117.775 0.1 1 700 . 85 LEU H H 7.576 0.01 1 701 . 85 LEU CA C 58.074 0.1 1 702 . 85 LEU HA H 3.908 0.01 1 703 . 85 LEU CB C 40.784 0.1 1 704 . 85 LEU HB3 H 1.460 0.01 1 705 . 85 LEU HB2 H 1.460 0.01 1 706 . 85 LEU CG C 26.075 0.1 1 707 . 85 LEU HG H 1.023 0.01 1 708 . 85 LEU CD1 C 24.301 0.1 1 709 . 85 LEU HD1 H 0.804 0.01 1 710 . 85 LEU CD2 C 23.029 0.1 1 711 . 85 LEU HD2 H 0.804 0.01 1 712 . 86 ALA N N 118.464 0.1 1 713 . 86 ALA H H 8.423 0.01 1 714 . 86 ALA CA C 56.183 0.1 1 715 . 86 ALA HA H 4.097 0.01 1 716 . 86 ALA CB C 17.952 0.1 1 717 . 86 ALA HB H 1.662 0.01 1 718 . 87 GLN N N 110.269 0.1 1 719 . 87 GLN H H 8.009 0.01 1 720 . 87 GLN CA C 58.645 0.1 1 721 . 87 GLN CB C 29.357 0.1 1 722 . 87 GLN HB3 H 2.155 0.01 1 723 . 87 GLN HB2 H 2.155 0.01 1 724 . 87 GLN CG C 35.210 0.1 1 725 . 87 GLN HG3 H 2.754 0.01 1 726 . 87 GLN HG2 H 2.754 0.01 1 727 . 88 GLN N N 116.537 0.1 1 728 . 88 GLN H H 8.042 0.01 1 729 . 88 GLN CA C 58.060 0.1 1 730 . 88 GLN HA H 4.001 0.01 1 731 . 88 GLN CB C 29.037 0.1 1 732 . 88 GLN HB3 H 2.079 0.01 2 733 . 88 GLN HB2 H 1.883 0.01 2 734 . 88 GLN CG C 33.624 0.1 1 735 . 88 GLN HG3 H 2.232 0.01 1 736 . 88 GLN HG2 H 2.232 0.01 1 737 . 88 GLN NE2 N 112.540 0.1 1 738 . 88 GLN HE21 H 7.534 0.01 2 739 . 88 GLN HE22 H 7.067 0.01 2 740 . 89 TYR N N 113.071 0.1 1 741 . 89 TYR H H 7.871 0.01 1 742 . 89 TYR CA C 58.646 0.1 1 743 . 89 TYR CD1 C 131.500 0.1 1 744 . 89 TYR HD1 H 6.930 0.01 1 745 . 89 TYR CE1 C 118.600 0.1 1 746 . 89 TYR HE1 H 6.531 0.01 1 747 . 89 TYR CE2 C 118.600 0.1 1 748 . 89 TYR HE2 H 6.531 0.01 1 749 . 89 TYR CD2 C 131.500 0.1 1 750 . 89 TYR HD2 H 6.930 0.01 1 751 . 90 VAL N N 117.071 0.1 1 752 . 90 VAL H H 7.225 0.01 1 753 . 90 VAL CA C 63.685 0.1 1 754 . 90 VAL HA H 4.120 0.01 1 755 . 90 VAL CB C 32.313 0.1 1 756 . 90 VAL HB H 2.398 0.01 1 757 . 90 VAL CG2 C 21.118 0.1 1 758 . 90 VAL CG1 C 21.118 0.1 1 759 . 91 MET N N 115.041 0.1 1 760 . 91 MET H H 8.576 0.01 1 761 . 91 MET CA C 56.657 0.1 1 762 . 94 LEU N N 118.662 0.1 1 763 . 94 LEU H H 7.805 0.01 1 764 . 94 LEU CA C 56.224 0.1 1 765 . 95 GLN N N 116.869 0.1 1 766 . 95 GLN H H 7.817 0.01 1 767 . 95 GLN CA C 60.843 0.1 1 768 . 95 GLN HA H 4.458 0.01 1 769 . 95 GLN CB C 28.349 0.1 1 770 . 95 GLN HB3 H 2.554 0.01 1 771 . 95 GLN HB2 H 2.554 0.01 1 772 . 95 GLN CG C 34.188 0.1 1 773 . 95 GLN HG3 H 2.772 0.01 1 774 . 95 GLN HG2 H 2.772 0.01 1 775 . 95 GLN NE2 N 113.245 0.1 1 776 . 95 GLN HE21 H 7.523 0.01 2 777 . 95 GLN HE22 H 6.859 0.01 2 778 . 96 GLN N N 112.573 0.1 1 779 . 96 GLN H H 8.188 0.01 1 780 . 96 GLN CA C 58.812 0.1 1 781 . 96 GLN HA H 4.126 0.01 1 782 . 96 GLN CB C 29.364 0.1 1 783 . 96 GLN HB3 H 2.284 0.01 2 784 . 96 GLN HB2 H 2.208 0.01 2 785 . 96 GLN CG C 35.973 0.1 1 786 . 96 GLN HG3 H 2.553 0.01 1 787 . 96 GLN HG2 H 2.553 0.01 1 788 . 97 GLU N N 117.308 0.1 1 789 . 97 GLU H H 7.399 0.01 1 790 . 97 GLU CA C 58.600 0.1 1 791 . 97 GLU HA H 4.127 0.01 1 792 . 97 GLU CB C 28.864 0.1 1 793 . 97 GLU HB3 H 1.934 0.01 2 794 . 97 GLU HB2 H 1.774 0.01 2 795 . 97 GLU CG C 34.950 0.1 1 796 . 97 GLU HG3 H 2.116 0.01 2 797 . 97 GLU HG2 H 1.920 0.01 2 798 . 98 TYR N N 114.494 0.1 1 799 . 98 TYR H H 7.930 0.01 1 800 . 98 TYR CA C 62.255 0.1 1 801 . 98 TYR HA H 4.394 0.01 1 802 . 98 TYR CB C 37.199 0.1 1 803 . 98 TYR HB3 H 3.298 0.01 2 804 . 98 TYR HB2 H 2.686 0.01 2 805 . 98 TYR CD1 C 133.200 0.1 1 806 . 98 TYR HD1 H 7.358 0.01 1 807 . 98 TYR CE1 C 117.760 0.1 1 808 . 98 TYR HE1 H 6.765 0.01 1 809 . 98 TYR CE2 C 117.760 0.1 1 810 . 98 TYR HE2 H 6.765 0.01 1 811 . 98 TYR CD2 C 133.200 0.1 1 812 . 98 TYR HD2 H 7.358 0.01 1 813 . 99 LYS N N 118.457 0.1 1 814 . 99 LYS H H 8.373 0.01 1 815 . 99 LYS CA C 60.765 0.1 1 816 . 100 LYS N N 116.295 0.1 1 817 . 100 LYS H H 7.802 0.01 1 818 . 100 LYS CA C 60.342 0.1 1 819 . 101 GLN N N 116.487 0.1 1 820 . 101 GLN H H 7.955 0.01 1 821 . 101 GLN CA C 58.542 0.1 1 822 . 101 GLN NE2 N 110.702 0.1 1 823 . 101 GLN HE21 H 6.992 0.01 2 824 . 101 GLN HE22 H 6.628 0.01 2 825 . 104 THR N N 114.909 0.1 1 826 . 104 THR H H 8.426 0.01 1 827 . 104 THR CA C 66.805 0.1 1 828 . 104 THR HA H 4.051 0.01 1 829 . 104 THR CB C 68.829 0.1 1 830 . 104 THR HB H 4.311 0.01 1 831 . 104 THR CG2 C 22.262 0.1 1 832 . 104 THR HG2 H 1.329 0.01 1 833 . 105 ALA N N 122.314 0.1 1 834 . 105 ALA H H 7.923 0.01 1 835 . 105 ALA CA C 54.948 0.1 1 836 . 105 ALA HA H 4.390 0.01 1 837 . 105 ALA CB C 17.948 0.1 1 838 . 105 ALA HB H 1.591 0.01 1 839 . 106 ALA N N 117.479 0.1 1 840 . 106 ALA H H 8.516 0.01 1 841 . 106 ALA CA C 54.869 0.1 1 842 . 106 ALA HA H 4.040 0.01 1 843 . 106 ALA CB C 18.555 0.1 1 844 . 106 ALA HB H 1.547 0.01 1 845 . 107 HIS N N 114.332 0.1 1 846 . 107 HIS H H 8.435 0.01 1 847 . 107 HIS CA C 59.803 0.1 1 848 . 107 HIS HA H 4.038 0.01 1 849 . 107 HIS CB C 29.197 0.1 1 850 . 107 HIS HB3 H 3.471 0.01 1 851 . 107 HIS HB2 H 3.471 0.01 1 852 . 107 HIS CD2 C 118.661 0.1 1 853 . 107 HIS HD2 H 6.985 0.01 1 854 . 108 ALA N N 118.117 0.1 1 855 . 108 ALA H H 7.904 0.01 1 856 . 108 ALA CA C 55.301 0.1 1 857 . 108 ALA HA H 3.995 0.01 1 858 . 108 ALA CB C 17.694 0.1 1 859 . 108 ALA HB H 1.504 0.01 1 860 . 109 LEU N N 113.929 0.1 1 861 . 109 LEU H H 7.553 0.01 1 862 . 109 LEU CA C 58.178 0.1 1 863 . 109 LEU HA H 4.346 0.01 1 864 . 109 LEU CB C 42.821 0.1 1 865 . 109 LEU HB3 H 2.073 0.01 2 866 . 109 LEU HB2 H 1.662 0.01 2 867 . 109 LEU CG C 27.593 0.1 1 868 . 109 LEU HG H 1.064 0.01 1 869 . 109 LEU CD1 C 26.845 0.1 1 870 . 109 LEU HD1 H 0.876 0.01 1 871 . 109 LEU CD2 C 26.845 0.1 1 872 . 109 LEU HD2 H 0.876 0.01 1 873 . 110 ALA N N 115.371 0.1 1 874 . 110 ALA H H 7.498 0.01 1 875 . 110 ALA CA C 55.382 0.1 1 876 . 110 ALA HA H 3.854 0.01 1 877 . 110 ALA CB C 19.468 0.1 1 878 . 110 ALA HB H 1.412 0.01 1 879 . 111 VAL N N 113.619 0.1 1 880 . 111 VAL H H 7.976 0.01 1 881 . 111 VAL CA C 66.639 0.1 1 882 . 111 VAL HA H 3.506 0.01 1 883 . 111 VAL CB C 31.907 0.1 1 884 . 111 VAL HB H 2.066 0.01 1 885 . 111 VAL CG2 C 22.770 0.1 1 886 . 111 VAL HG2 H 0.877 0.01 2 887 . 111 VAL CG1 C 21.503 0.1 1 888 . 111 VAL HG1 H 0.920 0.01 2 889 . 112 ASP N N 118.330 0.1 1 890 . 112 ASP H H 9.183 0.01 1 891 . 112 ASP CA C 56.847 0.1 1 892 . 112 ASP CB C 38.252 0.1 1 893 . 112 ASP HB3 H 2.910 0.01 2 894 . 112 ASP HB2 H 2.517 0.01 2 895 . 113 ALA N N 125.542 0.1 1 896 . 113 ALA H H 8.470 0.01 1 897 . 113 ALA CA C 55.553 0.1 1 898 . 113 ALA HA H 4.083 0.01 1 899 . 113 ALA CB C 18.199 0.1 1 900 . 113 ALA HB H 1.545 0.01 1 901 . 114 LYS N N 116.820 0.1 1 902 . 114 LYS H H 7.627 0.01 1 903 . 114 LYS CA C 59.406 0.1 1 904 . 114 LYS CB C 31.395 0.1 1 905 . 114 LYS CD C 29.115 0.1 1 906 . 115 ASN N N 114.652 0.1 1 907 . 115 ASN H H 8.195 0.01 1 908 . 115 ASN CA C 56.898 0.1 1 909 . 115 ASN HA H 4.520 0.01 1 910 . 115 ASN CB C 38.401 0.1 1 911 . 115 ASN HB3 H 2.991 0.01 1 912 . 115 ASN HB2 H 2.991 0.01 1 913 . 115 ASN ND2 N 114.403 0.1 1 914 . 115 ASN HD21 H 7.976 0.01 2 915 . 115 ASN HD22 H 6.975 0.01 2 916 . 116 LEU N N 116.905 0.1 1 917 . 116 LEU H H 7.714 0.01 1 918 . 116 LEU CA C 58.405 0.1 1 919 . 116 LEU HA H 3.996 0.01 1 920 . 116 LEU CB C 42.315 0.1 1 921 . 116 LEU HB3 H 1.765 0.01 2 922 . 116 LEU HB2 H 1.592 0.01 2 923 . 116 LEU CG C 27.089 0.1 1 924 . 116 LEU CD1 C 25.185 0.1 1 925 . 116 LEU HD1 H 0.934 0.01 2 926 . 116 LEU CD2 C 25.185 0.1 1 927 . 116 LEU HD2 H 0.674 0.01 2 928 . 117 LEU N N 117.046 0.1 1 929 . 117 LEU H H 7.754 0.01 1 930 . 117 LEU CA C 58.268 0.1 1 931 . 117 LEU CB C 41.685 0.1 1 932 . 117 LEU HB3 H 1.697 0.01 2 933 . 117 LEU HB2 H 1.921 0.01 2 934 . 117 LEU CG C 27.599 0.1 1 935 . 117 LEU CD1 C 23.783 0.1 1 936 . 117 LEU HD1 H 1.022 0.01 1 937 . 117 LEU CD2 C 23.783 0.1 1 938 . 117 LEU HD2 H 1.022 0.01 1 939 . 118 ASP N N 115.740 0.1 1 940 . 118 ASP H H 8.345 0.01 1 941 . 118 ASP CA C 57.981 0.1 1 942 . 118 ASP HA H 4.433 0.01 1 943 . 118 ASP CB C 40.030 0.1 1 944 . 118 ASP HB3 H 2.772 0.01 2 945 . 118 ASP HB2 H 3.015 0.01 2 946 . 119 VAL N N 117.262 0.1 1 947 . 119 VAL H H 8.180 0.01 1 948 . 119 VAL CA C 66.468 0.1 1 949 . 119 VAL HA H 3.796 0.01 1 950 . 119 VAL CB C 31.908 0.1 1 951 . 119 VAL HB H 2.306 0.01 1 952 . 119 VAL CG2 C 22.518 0.1 1 953 . 119 VAL HG2 H 1.127 0.01 2 954 . 119 VAL CG1 C 22.518 0.1 1 955 . 119 VAL HG1 H 0.943 0.01 2 956 . 120 ILE N N 119.929 0.1 1 957 . 120 ILE H H 8.367 0.01 1 958 . 120 ILE CA C 65.024 0.1 1 959 . 120 ILE HA H 3.777 0.01 1 960 . 120 ILE CB C 37.239 0.1 1 961 . 120 ILE HB H 2.247 0.01 1 962 . 120 ILE CD1 C 14.129 0.1 1 963 . 120 ILE HD1 H 0.893 0.01 1 964 . 120 ILE CG2 C 16.683 0.1 1 965 . 120 ILE HG2 H 0.980 0.01 1 966 . 121 ASP N N 119.297 0.1 1 967 . 121 ASP H H 9.437 0.01 1 968 . 121 ASP CA C 58.084 0.1 1 969 . 121 ASP HA H 4.532 0.01 1 970 . 121 ASP CB C 40.030 0.1 1 971 . 121 ASP HB3 H 2.663 0.01 2 972 . 121 ASP HB2 H 3.015 0.01 2 973 . 122 GLN N N 115.475 0.1 1 974 . 122 GLN H H 8.154 0.01 1 975 . 122 GLN CA C 58.878 0.1 1 976 . 122 GLN HA H 4.101 0.01 1 977 . 122 GLN CB C 28.488 0.1 1 978 . 122 GLN HB3 H 2.291 0.01 1 979 . 122 GLN HB2 H 2.291 0.01 1 980 . 122 GLN CG C 34.450 0.1 1 981 . 122 GLN HG3 H 2.583 0.01 1 982 . 122 GLN HG2 H 2.583 0.01 1 983 . 123 ALA N N 121.425 0.1 1 984 . 123 ALA H H 8.239 0.01 1 985 . 123 ALA CA C 55.507 0.1 1 986 . 123 ALA HA H 4.187 0.01 1 987 . 123 ALA CB C 19.345 0.1 1 988 . 123 ALA HB H 1.782 0.01 1 989 . 124 ARG N N 114.176 0.1 1 990 . 124 ARG H H 8.654 0.01 1 991 . 124 ARG CA C 59.495 0.1 1 992 . 124 ARG CB C 30.646 0.1 1 993 . 124 ARG HB3 H 1.723 0.01 1 994 . 124 ARG HB2 H 1.723 0.01 1 995 . 124 ARG CG C 26.319 0.1 1 996 . 124 ARG CD C 44.347 0.1 1 997 . 124 ARG HD3 H 3.295 0.01 1 998 . 124 ARG HD2 H 3.295 0.01 1 999 . 125 LEU N N 116.295 0.1 1 1000 . 125 LEU H H 7.813 0.01 1 1001 . 125 LEU CA C 57.422 0.1 1 1002 . 125 LEU HA H 4.207 0.01 1 1003 . 125 LEU CB C 41.806 0.1 1 1004 . 125 LEU HB3 H 1.709 0.01 2 1005 . 125 LEU HB2 H 1.927 0.01 2 1006 . 125 LEU CG C 26.840 0.1 1 1007 . 125 LEU CD1 C 24.806 0.1 1 1008 . 125 LEU HD1 H 0.935 0.01 1 1009 . 125 LEU CD2 C 23.789 0.1 1 1010 . 125 LEU HD2 H 0.935 0.01 1 1011 . 126 LYS N N 116.295 0.1 1 1012 . 126 LYS H H 7.824 0.01 1 1013 . 126 LYS CA C 58.230 0.1 1 1014 . 126 LYS HA H 4.214 0.01 1 1015 . 126 LYS CB C 32.492 0.1 1 1016 . 126 LYS HB3 H 2.028 0.01 1 1017 . 126 LYS HB2 H 2.028 0.01 1 1018 . 126 LYS CG C 25.566 0.1 1 1019 . 126 LYS HG3 H 1.505 0.01 1 1020 . 126 LYS HG2 H 1.505 0.01 1 1021 . 126 LYS CD C 29.374 0.1 1 1022 . 126 LYS HD3 H 1.635 0.01 1 1023 . 126 LYS HD2 H 1.635 0.01 1 1024 . 126 LYS CE C 42.314 0.1 1 1025 . 126 LYS HE3 H 2.990 0.01 1 1026 . 126 LYS HE2 H 2.990 0.01 1 1027 . 127 MET N N 115.193 0.1 1 1028 . 127 MET H H 7.830 0.01 1 1029 . 127 MET CA C 57.657 0.1 1 1030 . 127 MET HA H 4.301 0.01 1 1031 . 127 MET CB C 33.433 0.1 1 1032 . 127 MET HB3 H 2.449 0.01 2 1033 . 127 MET HB2 H 2.175 0.01 2 1034 . 127 MET CG C 31.906 0.1 1 1035 . 127 MET HG3 H 2.775 0.01 2 1036 . 127 MET HG2 H 2.448 0.01 2 1037 . 128 ILE N N 115.707 0.1 1 1038 . 128 ILE H H 7.894 0.01 1 1039 . 128 ILE CA C 62.727 0.1 1 1040 . 128 ILE HA H 4.149 0.01 1 1041 . 128 ILE CB C 38.760 0.1 1 1042 . 128 ILE HB H 2.037 0.01 1 1043 . 128 ILE CG1 C 28.097 0.1 2 1044 . 128 ILE HG13 H 1.651 0.01 1 1045 . 128 ILE HG12 H 1.329 0.01 1 1046 . 128 ILE CD1 C 13.373 0.1 1 1047 . 128 ILE HD1 H 0.931 0.01 1 1048 . 128 ILE CG2 C 17.694 0.1 1 1049 . 128 ILE HG2 H 0.997 0.01 1 1050 . 129 SER N N 114.002 0.1 1 1051 . 129 SER H H 8.130 0.01 1 1052 . 129 SER CA C 59.578 0.1 1 1053 . 129 SER HA H 4.434 0.01 1 1054 . 129 SER CB C 63.741 0.1 1 1055 . 129 SER HB3 H 3.995 0.01 1 1056 . 129 SER HB2 H 3.995 0.01 1 1057 . 130 GLN N N 117.612 0.1 1 1058 . 130 GLN H H 8.120 0.01 1 1059 . 130 GLN CA C 56.295 0.1 1 1060 . 130 GLN HA H 4.433 0.01 1 1061 . 130 GLN CB C 29.363 0.1 1 1062 . 130 GLN HB3 H 2.237 0.01 2 1063 . 130 GLN HB2 H 2.100 0.01 2 1064 . 130 GLN CG C 34.190 0.1 1 1065 . 130 GLN HG3 H 2.486 0.01 1 1066 . 130 GLN HG2 H 2.486 0.01 1 1067 . 130 GLN NE2 N 112.396 0.1 1 1068 . 130 GLN HE21 H 7.491 0.01 2 1069 . 130 GLN HE22 H 6.836 0.01 2 1070 . 131 SER N N 112.759 0.1 1 1071 . 131 SER H H 8.098 0.01 1 1072 . 131 SER CA C 58.616 0.1 1 1073 . 131 SER HA H 4.520 0.01 1 1074 . 131 SER CB C 63.974 0.1 1 1075 . 131 SER HB3 H 3.950 0.01 1 1076 . 131 SER HB2 H 3.950 0.01 1 1077 . 131 SER HG H 5.438 0.01 1 1078 . 132 ARG N N 120.260 0.1 1 1079 . 132 ARG H H 8.100 0.01 1 1080 . 132 ARG CA C 54.078 0.1 1 1081 . 132 ARG CB C 30.527 0.1 1 1082 . 132 ARG HB3 H 1.804 0.01 2 1083 . 132 ARG HB2 H 1.901 0.01 2 1084 . 132 ARG HG3 H 1.721 0.01 1 1085 . 132 ARG HG2 H 1.721 0.01 1 1086 . 133 PRO CA C 63.636 0.1 1 1087 . 133 PRO HA H 4.463 0.01 1 1088 . 133 PRO CB C 32.154 0.1 1 1089 . 133 PRO HB3 H 2.317 0.01 1 1090 . 133 PRO HB2 H 2.317 0.01 1 1091 . 133 PRO CG C 27.485 0.1 1 1092 . 133 PRO HG3 H 2.029 0.01 1 1093 . 133 PRO HG2 H 2.029 0.01 1 1094 . 133 PRO CD C 50.690 0.1 1 1095 . 133 PRO HD3 H 3.865 0.01 2 1096 . 133 PRO HD2 H 3.689 0.01 2 1097 . 134 HIS N N 120.257 0.1 1 1098 . 134 HIS H H 7.989 0.01 1 1099 . 134 HIS CA C 57.122 0.1 1 1100 . 134 HIS HA H 4.453 0.01 1 1101 . 134 HIS CB C 30.160 0.1 1 1102 . 134 HIS HB3 H 3.248 0.01 2 1103 . 134 HIS HB2 H 3.160 0.01 2 1104 . 134 HIS CD2 C 119.714 0.1 1 1105 . 134 HIS HD2 H 7.266 0.01 1 stop_ save_