data_17974 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Structural and mechanistic insights into the interaction between PAT Pyk2 and Paxillin LD motif ; _BMRB_accession_number 17974 _BMRB_flat_file_name bmr17974.str _Entry_type original _Submission_date 2011-10-04 _Accession_date 2011-10-04 _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 Vanarotti Murugendra . . 2 Miller Darcie . . 3 Guibao Cristina . . 4 Zheng Jie . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 782 "13C chemical shifts" 438 "15N chemical shifts" 143 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2012-10-09 original author . stop_ _Original_release_date 2012-10-09 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structural and mechanistic insights into the interaction between PAT Pyk2 and Paxillin LD motif' _Citation_status 'in preparation' _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 Vanarotti Murugendra . . 2 Miller Darcie . . 3 Guibao Cristina . . 4 Zheng Jie . . stop_ _Journal_abbreviation 'Not known' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'PAT Pyk2 and Paxillin LD motif' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'PAT Pyk2 and Paxillin LD motif' $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 14815.178 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 135 _Mol_residue_sequence ; ANLDRTDDLVYLNVMELVRA VLELKNELSQLPPEGYVVVV KNVGLTLRKLIGSVDDLLPS LPSSSRTEIEGTQKLLNKDL AELINKMRLAQQNAVTSLSE EAKRQMLTASHTLAVDAKNL LDAVDQAKVLANLAH ; loop_ _Residue_seq_code _Residue_label 1 ALA 2 ASN 3 LEU 4 ASP 5 ARG 6 THR 7 ASP 8 ASP 9 LEU 10 VAL 11 TYR 12 LEU 13 ASN 14 VAL 15 MET 16 GLU 17 LEU 18 VAL 19 ARG 20 ALA 21 VAL 22 LEU 23 GLU 24 LEU 25 LYS 26 ASN 27 GLU 28 LEU 29 SER 30 GLN 31 LEU 32 PRO 33 PRO 34 GLU 35 GLY 36 TYR 37 VAL 38 VAL 39 VAL 40 VAL 41 LYS 42 ASN 43 VAL 44 GLY 45 LEU 46 THR 47 LEU 48 ARG 49 LYS 50 LEU 51 ILE 52 GLY 53 SER 54 VAL 55 ASP 56 ASP 57 LEU 58 LEU 59 PRO 60 SER 61 LEU 62 PRO 63 SER 64 SER 65 SER 66 ARG 67 THR 68 GLU 69 ILE 70 GLU 71 GLY 72 THR 73 GLN 74 LYS 75 LEU 76 LEU 77 ASN 78 LYS 79 ASP 80 LEU 81 ALA 82 GLU 83 LEU 84 ILE 85 ASN 86 LYS 87 MET 88 ARG 89 LEU 90 ALA 91 GLN 92 GLN 93 ASN 94 ALA 95 VAL 96 THR 97 SER 98 LEU 99 SER 100 GLU 101 GLU 102 ALA 103 LYS 104 ARG 105 GLN 106 MET 107 LEU 108 THR 109 ALA 110 SER 111 HIS 112 THR 113 LEU 114 ALA 115 VAL 116 ASP 117 ALA 118 LYS 119 ASN 120 LEU 121 LEU 122 ASP 123 ALA 124 VAL 125 ASP 126 GLN 127 ALA 128 LYS 129 VAL 130 LEU 131 ALA 132 ASN 133 LEU 134 ALA 135 HIS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value PDB 2LK4 "Structural And Mechanistic Insights Into The Interaction Between Pat Pyk2 And Paxillin Ld Motif" 100.00 135 100.00 100.00 9.29e-88 PDB 3GM1 "Crystal Structure Of The Focal Adhesion Targeting (Fat) Domain Of Pyk2 In Complex With Paxillin Ld4 Motif-Derived Peptides" 100.00 153 98.52 99.26 2.52e-86 PDB 3GM2 "Crystal Structure Of The Focal Adhesion Targeting (Fat) Domain Of Pyk2" 100.00 153 98.52 99.26 2.52e-86 PDB 3GM3 "Crystal Structure Of The Focal Adhesion Targeting (Fat) Domain Of Pyk2" 100.00 153 98.52 99.26 2.52e-86 PDB 3U3F "Structural Basis For The Interaction Of Pyk2 Pat Domain With Paxillin Ld Motifs" 100.00 139 99.26 99.26 3.93e-87 PDB 4R32 "Crystal Structure Analysis Of Pyk2 And Paxillin Ld Motifs" 100.00 139 100.00 100.00 1.08e-87 DBJ BAI45770 "PTK2B protein tyrosine kinase 2 beta [synthetic construct]" 100.00 967 98.52 98.52 1.74e-79 EMBL CAH92304 "hypothetical protein [Pongo abelii]" 100.00 1009 98.52 98.52 2.61e-79 GB AAB35701 "related adhesion focal tyrosine kinase [Homo sapiens]" 100.00 1009 98.52 98.52 2.53e-79 GB AAB47217 "focal adhesion kinase [Homo sapiens]" 100.00 1009 98.52 98.52 2.64e-79 GB AAC05330 "cell adhesion kinase beta [Homo sapiens]" 100.00 1009 98.52 98.52 2.53e-79 GB AAC50203 "PYK2 [Homo sapiens]" 100.00 1009 98.52 98.52 2.53e-79 GB AAH36651 "PTK2B protein tyrosine kinase 2 beta [Homo sapiens]" 100.00 1009 97.78 98.52 7.58e-79 PRF 2119367A "protein Tyr kinase PYK2" 100.00 1009 98.52 98.52 2.53e-79 PRF 2208337A "focal adhesion kinase" 100.00 1009 98.52 98.52 2.64e-79 REF NP_001095722 "protein-tyrosine kinase 2-beta [Bos taurus]" 99.26 1009 97.76 98.51 3.15e-77 REF NP_001127536 "protein-tyrosine kinase 2-beta [Pongo abelii]" 100.00 1009 98.52 98.52 2.61e-79 REF NP_004094 "protein-tyrosine kinase 2-beta isoform a [Homo sapiens]" 100.00 1009 98.52 98.52 2.53e-79 REF NP_775266 "protein-tyrosine kinase 2-beta isoform a [Homo sapiens]" 100.00 1009 98.52 98.52 2.53e-79 REF NP_775267 "protein-tyrosine kinase 2-beta isoform b [Homo sapiens]" 100.00 967 98.52 98.52 1.78e-79 SP Q14289 "RecName: Full=Protein-tyrosine kinase 2-beta; AltName: Full=Calcium-dependent tyrosine kinase; Short=CADTK; AltName: Full=Calci" 100.00 1009 98.52 98.52 2.53e-79 TPG DAA26677 "TPA: PTK2B protein tyrosine kinase 2 beta [Bos taurus]" 89.63 991 97.52 98.35 8.08e-69 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $entity Human 9606 Eukaryota Metazoa Homo sapiens stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name $entity 'recombinant technology' . Escherichia coli . pET28 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 $entity . mM 0.5 1 '[U-100% 13C; U-100% 15N]' H2O 90 % . . 'natural source' D2O 10 % . . 'natural source' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_3D_CBCA(CO)NH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _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' 7 . mM pH 6.2 . pH pressure 1 . atm temperature 305 . 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 water C 13 protons ppm 4.7 external indirect . . . 0.25144953 water H 1 protons ppm 4.7 internal direct . . . 1 water N 15 protons ppm 4.7 external indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '3D HNCACB' '3D HCCH-TOCSY' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' 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 'PAT Pyk2 and Paxillin LD motif' _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 1 ALA HA H 4.241 0.000 1 2 1 1 ALA HB H 1.330 0.000 . 3 1 1 ALA H H 8.298 0.000 1 4 1 1 ALA CA C 49.569 0.000 1 5 1 1 ALA CB C 16.186 0.000 1 6 1 1 ALA N N 124.965 0.000 1 7 2 2 ASN H H 8.308 0.000 1 8 2 2 ASN HA H 4.616 0.000 1 9 2 2 ASN HB2 H 2.767 0.000 2 10 2 2 ASN HB3 H 2.670 0.000 2 11 2 2 ASN CA C 50.034 0.000 1 12 2 2 ASN CB C 35.343 0.000 1 13 2 2 ASN N N 117.631 0.000 1 14 3 3 LEU H H 7.915 0.000 1 15 3 3 LEU HA H 4.243 0.000 1 16 3 3 LEU HB2 H 1.420 0.000 2 17 3 3 LEU HB3 H 1.420 0.000 2 18 3 3 LEU HG H 1.473 0.000 1 19 3 3 LEU HD1 H 0.765 0.000 . 20 3 3 LEU HD2 H 0.765 0.000 . 21 3 3 LEU CA C 51.936 0.000 1 22 3 3 LEU CB C 39.287 0.000 1 23 3 3 LEU CG C 23.896 0.000 1 24 3 3 LEU CD2 C 20.211 0.000 2 25 3 3 LEU N N 122.294 0.000 1 26 4 4 ASP H H 8.397 0.000 1 27 4 4 ASP HA H 4.475 0.000 1 28 4 4 ASP HB2 H 2.723 0.000 2 29 4 4 ASP HB3 H 2.602 0.000 2 30 4 4 ASP CA C 51.150 0.000 1 31 4 4 ASP CB C 37.933 0.000 1 32 4 4 ASP N N 121.420 0.000 1 33 5 5 ARG H H 8.471 0.000 1 34 5 5 ARG HA H 4.228 0.000 1 35 5 5 ARG HB2 H 1.728 0.000 2 36 5 5 ARG HB3 H 1.728 0.000 2 37 5 5 ARG HG2 H 1.405 0.000 2 38 5 5 ARG HG3 H 1.405 0.000 2 39 5 5 ARG HD2 H 2.602 0.000 2 40 5 5 ARG HD3 H 2.229 0.000 2 41 5 5 ARG CA C 51.530 0.000 1 42 5 5 ARG CB C 27.182 0.000 1 43 5 5 ARG CG C 24.571 0.000 1 44 5 5 ARG CD C 39.864 0.000 1 45 5 5 ARG N N 122.334 0.000 1 46 6 6 THR H H 8.228 0.000 1 47 6 6 THR HA H 3.835 0.000 1 48 6 6 THR HB H 4.034 0.000 1 49 6 6 THR HG2 H 1.182 0.000 . 50 6 6 THR CA C 62.418 0.000 1 51 6 6 THR CB C 65.684 0.000 1 52 6 6 THR CG2 C 18.407 0.000 1 53 6 6 THR N N 116.759 0.000 1 54 7 7 ASP H H 8.555 0.000 1 55 7 7 ASP HA H 4.553 0.000 1 56 7 7 ASP HB2 H 2.783 0.000 2 57 7 7 ASP HB3 H 2.601 0.000 2 58 7 7 ASP CA C 51.185 0.000 1 59 7 7 ASP CB C 37.478 0.000 1 60 7 7 ASP N N 120.457 0.000 1 61 8 8 ASP H H 7.392 0.000 1 62 8 8 ASP HA H 4.628 0.000 1 63 8 8 ASP HB2 H 3.027 0.000 2 64 8 8 ASP HB3 H 2.389 0.000 2 65 8 8 ASP CA C 49.884 0.000 1 66 8 8 ASP CB C 38.699 0.000 1 67 8 8 ASP N N 118.958 0.000 1 68 9 9 LEU H H 8.281 0.000 1 69 9 9 LEU HA H 4.092 0.000 1 70 9 9 LEU HB2 H 1.823 0.000 2 71 9 9 LEU HB3 H 1.593 0.000 2 72 9 9 LEU HG H 1.755 0.000 1 73 9 9 LEU HD1 H 0.951 0.000 . 74 9 9 LEU HD2 H 0.874 0.000 . 75 9 9 LEU CA C 54.660 0.000 1 76 9 9 LEU CB C 38.837 0.000 1 77 9 9 LEU CG C 24.005 0.000 1 78 9 9 LEU CD1 C 21.809 0.000 2 79 9 9 LEU CD2 C 20.230 0.000 2 80 9 9 LEU N N 125.523 0.000 1 81 10 10 VAL H H 7.782 0.000 1 82 10 10 VAL HA H 3.628 0.000 1 83 10 10 VAL HB H 2.307 0.000 1 84 10 10 VAL HG1 H 0.973 0.000 . 85 10 10 VAL HG2 H 0.770 0.000 . 86 10 10 VAL CA C 63.749 0.000 1 87 10 10 VAL CB C 27.961 0.000 1 88 10 10 VAL CG1 C 19.362 0.000 2 89 10 10 VAL CG2 C 17.973 0.000 2 90 10 10 VAL N N 119.407 0.000 1 91 11 11 TYR H H 7.886 0.000 1 92 11 11 TYR HA H 3.833 0.000 1 93 11 11 TYR HB2 H 2.982 0.000 2 94 11 11 TYR HB3 H 2.982 0.000 2 95 11 11 TYR HD1 H 7.026 0.000 3 96 11 11 TYR HD2 H 7.026 0.000 3 97 11 11 TYR HE1 H 6.786 0.000 3 98 11 11 TYR HE2 H 6.786 0.000 3 99 11 11 TYR CA C 58.909 0.000 1 100 11 11 TYR CB C 35.533 0.000 1 101 11 11 TYR N N 119.726 0.000 1 102 12 12 LEU H H 8.324 0.000 1 103 12 12 LEU HA H 3.760 0.000 1 104 12 12 LEU HB2 H 1.827 0.000 2 105 12 12 LEU HB3 H 1.592 0.000 2 106 12 12 LEU HG H 1.886 0.000 1 107 12 12 LEU HD1 H 0.937 0.000 . 108 12 12 LEU HD2 H 1.052 0.000 . 109 12 12 LEU CA C 55.180 0.000 1 110 12 12 LEU CB C 38.927 0.000 1 111 12 12 LEU CG C 24.040 0.000 1 112 12 12 LEU CD1 C 20.603 0.000 2 113 12 12 LEU CD2 C 23.683 0.000 2 114 12 12 LEU N N 118.175 0.000 1 115 13 13 ASN H H 8.193 0.000 1 116 13 13 ASN HA H 4.527 0.000 1 117 13 13 ASN HB2 H 2.901 0.000 2 118 13 13 ASN HB3 H 2.401 0.000 2 119 13 13 ASN HD21 H 6.881 0.000 2 120 13 13 ASN HD22 H 7.099 0.000 2 121 13 13 ASN CA C 52.950 0.000 1 122 13 13 ASN CB C 35.906 0.000 1 123 13 13 ASN N N 117.097 0.000 1 124 13 13 ASN ND2 N 109.745 0.000 1 125 14 14 VAL H H 8.757 0.000 1 126 14 14 VAL HA H 3.480 0.000 1 127 14 14 VAL HB H 2.143 0.000 1 128 14 14 VAL HG1 H 1.056 0.000 . 129 14 14 VAL HG2 H 0.729 0.000 . 130 14 14 VAL CA C 65.015 0.000 1 131 14 14 VAL CB C 28.303 0.000 1 132 14 14 VAL CG1 C 22.156 0.000 2 133 14 14 VAL CG2 C 18.023 0.000 2 134 14 14 VAL N N 123.078 0.000 1 135 15 15 MET H H 8.269 0.000 1 136 15 15 MET HA H 4.231 0.000 1 137 15 15 MET HB2 H 1.983 0.000 2 138 15 15 MET HB3 H 1.794 0.000 2 139 15 15 MET HG2 H 2.172 0.000 2 140 15 15 MET HG3 H 2.172 0.000 2 141 15 15 MET HE H 1.877 0.000 . 142 15 15 MET CA C 53.872 0.000 1 143 15 15 MET CB C 29.138 0.000 1 144 15 15 MET CG C 28.923 0.000 1 145 15 15 MET CE C 14.282 0.000 1 146 15 15 MET N N 116.703 0.000 1 147 16 16 GLU H H 8.063 0.000 1 148 16 16 GLU HA H 4.117 0.000 1 149 16 16 GLU HB2 H 2.147 0.000 2 150 16 16 GLU HB3 H 2.055 0.000 2 151 16 16 GLU HG2 H 2.352 0.000 2 152 16 16 GLU HG3 H 2.294 0.000 2 153 16 16 GLU CA C 56.211 0.000 1 154 16 16 GLU CB C 26.381 0.000 1 155 16 16 GLU CG C 33.067 0.000 1 156 16 16 GLU N N 120.646 0.000 1 157 17 17 LEU H H 7.907 0.000 1 158 17 17 LEU HA H 4.120 0.000 1 159 17 17 LEU HB2 H 1.551 0.000 2 160 17 17 LEU HB3 H 2.031 0.000 2 161 17 17 LEU HG H 1.560 0.000 1 162 17 17 LEU HD1 H 0.813 0.000 . 163 17 17 LEU HD2 H 0.813 0.000 . 164 17 17 LEU CA C 55.203 0.000 1 165 17 17 LEU CB C 38.680 0.000 1 166 17 17 LEU CG C 24.459 0.000 1 167 17 17 LEU CD1 C 24.374 0.000 2 168 17 17 LEU N N 122.872 0.000 1 169 18 18 VAL H H 8.691 0.000 1 170 18 18 VAL HA H 3.346 0.000 1 171 18 18 VAL HB H 2.143 0.000 1 172 18 18 VAL HG1 H 1.002 0.000 . 173 18 18 VAL HG2 H 0.910 0.000 . 174 18 18 VAL CA C 64.344 0.000 1 175 18 18 VAL CB C 28.696 0.000 1 176 18 18 VAL CG1 C 20.118 0.000 2 177 18 18 VAL CG2 C 18.162 0.000 2 178 18 18 VAL N N 119.138 0.000 1 179 19 19 ARG H H 8.109 0.000 1 180 19 19 ARG HA H 3.946 0.000 1 181 19 19 ARG HB2 H 1.928 0.000 2 182 19 19 ARG HB3 H 1.928 0.000 2 183 19 19 ARG HG2 H 1.570 0.000 2 184 19 19 ARG HG3 H 1.570 0.000 2 185 19 19 ARG HD2 H 3.171 0.000 2 186 19 19 ARG HD3 H 3.171 0.000 2 187 19 19 ARG CA C 56.997 0.000 1 188 19 19 ARG CB C 26.827 0.000 1 189 19 19 ARG CG C 24.539 0.000 1 190 19 19 ARG CD C 40.415 0.000 1 191 19 19 ARG N N 119.083 0.000 1 192 20 20 ALA H H 8.101 0.000 1 193 20 20 ALA HA H 4.161 0.000 1 194 20 20 ALA HB H 1.542 0.000 . 195 20 20 ALA CA C 52.099 0.000 1 196 20 20 ALA CB C 15.068 0.000 1 197 20 20 ALA N N 121.844 0.000 1 198 21 21 VAL H H 8.313 0.000 1 199 21 21 VAL HA H 3.632 0.000 1 200 21 21 VAL HB H 2.244 0.000 1 201 21 21 VAL HG1 H 1.069 0.000 . 202 21 21 VAL HG2 H 0.967 0.000 . 203 21 21 VAL CA C 63.618 0.000 1 204 21 21 VAL CB C 28.548 0.000 1 205 21 21 VAL CG1 C 20.061 0.000 2 206 21 21 VAL CG2 C 19.173 0.000 2 207 21 21 VAL N N 117.623 0.000 1 208 22 22 LEU H H 8.346 0.000 1 209 22 22 LEU HA H 4.074 0.000 1 210 22 22 LEU HB2 H 1.889 0.000 2 211 22 22 LEU HB3 H 1.628 0.000 2 212 22 22 LEU HG H 1.821 0.000 1 213 22 22 LEU HD1 H 0.946 0.000 . 214 22 22 LEU HD2 H 0.855 0.000 . 215 22 22 LEU CA C 55.019 0.000 1 216 22 22 LEU CB C 38.302 0.000 1 217 22 22 LEU CG C 24.004 0.000 1 218 22 22 LEU CD1 C 21.891 0.000 2 219 22 22 LEU CD2 C 20.203 0.000 2 220 22 22 LEU N N 122.709 0.000 1 221 23 23 GLU H H 8.069 0.000 1 222 23 23 GLU HA H 4.124 0.000 1 223 23 23 GLU HB2 H 2.108 0.000 2 224 23 23 GLU HB3 H 2.108 0.000 2 225 23 23 GLU HG2 H 2.280 0.000 2 226 23 23 GLU HG3 H 2.280 0.000 2 227 23 23 GLU CA C 55.981 0.000 1 228 23 23 GLU CB C 26.182 0.000 1 229 23 23 GLU CG C 33.183 0.000 1 230 23 23 GLU N N 119.283 0.000 1 231 24 24 LEU H H 7.609 0.000 1 232 24 24 LEU HA H 3.980 0.000 1 233 24 24 LEU HB2 H 1.969 0.000 2 234 24 24 LEU HB3 H 1.656 0.000 2 235 24 24 LEU HG H 1.625 0.000 1 236 24 24 LEU HD1 H 0.988 0.000 . 237 24 24 LEU HD2 H 0.836 0.000 . 238 24 24 LEU CA C 55.463 0.000 1 239 24 24 LEU CB C 38.323 0.000 1 240 24 24 LEU CG C 24.325 0.000 1 241 24 24 LEU CD1 C 22.754 0.000 2 242 24 24 LEU CD2 C 22.349 0.000 2 243 24 24 LEU N N 120.064 0.000 1 244 25 25 LYS H H 7.857 0.000 1 245 25 25 LYS HA H 3.818 0.000 1 246 25 25 LYS HB2 H 1.952 0.000 2 247 25 25 LYS HB3 H 1.952 0.000 2 248 25 25 LYS HG2 H 1.552 0.000 2 249 25 25 LYS HG3 H 1.360 0.000 2 250 25 25 LYS HD2 H 1.672 0.000 2 251 25 25 LYS HD3 H 1.672 0.000 2 252 25 25 LYS HE2 H 2.928 0.000 2 253 25 25 LYS HE3 H 2.928 0.000 2 254 25 25 LYS CA C 56.786 0.000 1 255 25 25 LYS CB C 28.943 0.000 1 256 25 25 LYS CG C 21.892 0.000 1 257 25 25 LYS CD C 26.699 0.000 1 258 25 25 LYS CE C 39.051 0.000 1 259 25 25 LYS N N 116.908 0.000 1 260 26 26 ASN H H 7.961 0.000 1 261 26 26 ASN HA H 4.536 0.000 1 262 26 26 ASN HB2 H 2.895 0.000 2 263 26 26 ASN HB3 H 2.895 0.000 2 264 26 26 ASN HD21 H 6.818 0.000 2 265 26 26 ASN HD22 H 7.676 0.000 2 266 26 26 ASN CA C 52.176 0.000 1 267 26 26 ASN CB C 35.530 0.000 1 268 26 26 ASN N N 116.447 0.000 1 269 26 26 ASN ND2 N 112.688 0.000 1 270 27 27 GLU H H 8.197 0.000 1 271 27 27 GLU HA H 4.380 0.000 1 272 27 27 GLU HB2 H 2.175 0.000 2 273 27 27 GLU HB3 H 1.997 0.000 2 274 27 27 GLU HG2 H 2.410 0.000 2 275 27 27 GLU HG3 H 2.410 0.000 2 276 27 27 GLU CA C 54.473 0.000 1 277 27 27 GLU CB C 26.635 0.000 1 278 27 27 GLU CG C 32.631 0.000 1 279 27 27 GLU N N 118.235 0.000 1 280 28 28 LEU H H 8.056 0.000 1 281 28 28 LEU HA H 3.983 0.000 1 282 28 28 LEU HB2 H 1.845 0.000 2 283 28 28 LEU HB3 H 1.573 0.000 2 284 28 28 LEU HG H 1.675 0.000 1 285 28 28 LEU HD1 H 0.836 0.000 . 286 28 28 LEU HD2 H 0.651 0.000 . 287 28 28 LEU CA C 55.210 0.000 1 288 28 28 LEU CB C 38.680 0.000 1 289 28 28 LEU CG C 24.051 0.000 1 290 28 28 LEU CD1 C 22.162 0.000 2 291 28 28 LEU CD2 C 21.495 0.000 2 292 28 28 LEU N N 119.309 0.000 1 293 29 29 SER H H 8.075 0.000 1 294 29 29 SER HA H 4.258 0.000 1 295 29 29 SER HB2 H 3.970 0.000 2 296 29 29 SER HB3 H 3.970 0.000 2 297 29 29 SER CA C 57.830 0.000 1 298 29 29 SER CB C 60.019 0.000 1 299 29 29 SER N N 111.270 0.000 1 300 30 30 GLN H H 7.795 0.000 1 301 30 30 GLN HA H 4.539 0.000 1 302 30 30 GLN HB2 H 2.242 0.000 2 303 30 30 GLN HB3 H 2.043 0.000 2 304 30 30 GLN HG2 H 2.367 0.000 2 305 30 30 GLN HG3 H 2.367 0.000 2 306 30 30 GLN HE21 H 6.761 0.000 2 307 30 30 GLN HE22 H 7.441 0.000 2 308 30 30 GLN CA C 52.480 0.000 1 309 30 30 GLN CB C 27.102 0.000 1 310 30 30 GLN CG C 30.526 0.000 1 311 30 30 GLN N N 117.929 0.000 1 312 30 30 GLN NE2 N 111.878 0.000 1 313 31 31 LEU H H 7.644 0.000 1 314 31 31 LEU HA H 4.664 0.000 1 315 31 31 LEU HB2 H 1.850 0.000 2 316 31 31 LEU HB3 H 1.544 0.000 2 317 31 31 LEU HG H 1.762 0.000 1 318 31 31 LEU HD1 H 0.859 0.000 . 319 31 31 LEU HD2 H 0.859 0.000 . 320 31 31 LEU CA C 50.165 0.000 1 321 31 31 LEU CB C 38.701 0.000 1 322 31 31 LEU CG C 24.315 0.000 1 323 31 31 LEU CD1 C 20.720 0.000 2 324 31 31 LEU N N 122.454 0.000 1 325 32 32 PRO HA H 4.862 0.000 1 326 32 32 PRO HB2 H 2.106 0.000 2 327 32 32 PRO HB3 H 2.356 0.000 2 328 32 32 PRO HG2 H 2.110 0.000 2 329 32 32 PRO HG3 H 1.889 0.000 2 330 32 32 PRO HD2 H 3.941 0.000 2 331 32 32 PRO HD3 H 3.646 0.000 2 332 32 32 PRO CA C 58.335 0.000 1 333 32 32 PRO CB C 27.508 0.000 1 334 32 32 PRO CG C 24.399 0.000 1 335 32 32 PRO CD C 47.303 0.000 1 336 33 33 PRO HA H 4.500 0.000 1 337 33 33 PRO HB2 H 1.970 0.000 2 338 33 33 PRO HB3 H 2.473 0.000 2 339 33 33 PRO HG2 H 2.110 0.000 2 340 33 33 PRO HG3 H 1.950 0.000 2 341 33 33 PRO HD2 H 3.784 0.000 2 342 33 33 PRO HD3 H 3.720 0.000 2 343 33 33 PRO CA C 59.699 0.000 1 344 33 33 PRO CB C 28.911 0.000 1 345 33 33 PRO CG C 24.970 0.000 1 346 33 33 PRO CD C 46.808 0.000 1 347 34 34 GLU H H 9.120 0.000 1 348 34 34 GLU HA H 4.029 0.000 1 349 34 34 GLU HB2 H 1.980 0.000 2 350 34 34 GLU HB3 H 1.980 0.000 2 351 34 34 GLU HG2 H 2.261 0.000 2 352 34 34 GLU HG3 H 2.261 0.000 2 353 34 34 GLU CA C 55.817 0.000 1 354 34 34 GLU CB C 25.254 0.000 1 355 34 34 GLU CG C 33.151 0.000 1 356 34 34 GLU N N 116.183 0.000 1 357 35 35 GLY H H 8.314 0.000 1 358 35 35 GLY HA2 H 4.115 0.000 2 359 35 35 GLY HA3 H 3.740 0.000 2 360 35 35 GLY CA C 42.921 0.000 1 361 35 35 GLY N N 107.066 0.000 1 362 36 36 TYR H H 7.781 0.000 1 363 36 36 TYR HA H 4.303 0.000 1 364 36 36 TYR HB2 H 3.097 0.000 2 365 36 36 TYR HB3 H 2.987 0.000 2 366 36 36 TYR HD1 H 6.846 0.000 3 367 36 36 TYR HD2 H 6.846 0.000 3 368 36 36 TYR HE1 H 6.687 0.000 3 369 36 36 TYR HE2 H 6.687 0.000 3 370 36 36 TYR CA C 55.672 0.000 1 371 36 36 TYR CB C 34.367 0.000 1 372 36 36 TYR N N 119.346 0.000 1 373 37 37 VAL H H 7.378 0.000 1 374 37 37 VAL HA H 3.827 0.000 1 375 37 37 VAL HB H 2.127 0.000 1 376 37 37 VAL HG1 H 1.018 0.000 . 377 37 37 VAL HG2 H 0.968 0.000 . 378 37 37 VAL CA C 62.520 0.000 1 379 37 37 VAL CB C 28.643 0.000 1 380 37 37 VAL CG1 C 18.779 0.000 2 381 37 37 VAL CG2 C 17.706 0.000 2 382 37 37 VAL N N 116.348 0.000 1 383 38 38 VAL H H 7.200 0.000 1 384 38 38 VAL HA H 3.666 0.000 1 385 38 38 VAL HB H 2.148 0.000 1 386 38 38 VAL HG1 H 1.066 0.000 . 387 38 38 VAL HG2 H 0.971 0.000 . 388 38 38 VAL CA C 62.989 0.000 1 389 38 38 VAL CB C 28.817 0.000 1 390 38 38 VAL CG1 C 19.373 0.000 2 391 38 38 VAL CG2 C 17.939 0.000 2 392 38 38 VAL N N 119.494 0.000 1 393 39 39 VAL H H 7.163 0.000 1 394 39 39 VAL HA H 3.965 0.000 1 395 39 39 VAL HB H 2.137 0.000 1 396 39 39 VAL HG1 H 1.050 0.000 . 397 39 39 VAL HG2 H 0.971 0.000 . 398 39 39 VAL CA C 62.333 0.000 1 399 39 39 VAL CB C 28.518 0.000 1 400 39 39 VAL CG1 C 18.799 0.000 2 401 39 39 VAL CG2 C 19.252 0.000 2 402 39 39 VAL N N 117.094 0.000 1 403 40 40 VAL H H 7.949 0.000 1 404 40 40 VAL HA H 3.534 0.000 1 405 40 40 VAL HB H 2.139 0.000 1 406 40 40 VAL HG1 H 0.982 0.000 . 407 40 40 VAL HG2 H 0.881 0.000 . 408 40 40 VAL CA C 63.920 0.000 1 409 40 40 VAL CB C 28.382 0.000 1 410 40 40 VAL CG1 C 19.358 0.000 2 411 40 40 VAL CG2 C 18.800 0.000 2 412 40 40 VAL N N 119.702 0.000 1 413 41 41 LYS H H 8.244 0.000 1 414 41 41 LYS HA H 4.047 0.000 1 415 41 41 LYS HB2 H 1.968 0.000 2 416 41 41 LYS HB3 H 1.968 0.000 2 417 41 41 LYS HG2 H 1.348 0.000 2 418 41 41 LYS HG3 H 1.348 0.000 2 419 41 41 LYS HD2 H 1.682 0.000 2 420 41 41 LYS HD3 H 1.682 0.000 2 421 41 41 LYS HE2 H 2.928 0.000 2 422 41 41 LYS HE3 H 2.928 0.000 2 423 41 41 LYS CA C 56.827 0.000 1 424 41 41 LYS CB C 29.100 0.000 1 425 41 41 LYS CG C 21.895 0.000 1 426 41 41 LYS CD C 26.411 0.000 1 427 41 41 LYS CE C 38.977 0.000 1 428 41 41 LYS N N 122.322 0.000 1 429 42 42 ASN H H 7.982 0.000 1 430 42 42 ASN HA H 4.574 0.000 1 431 42 42 ASN HB2 H 2.968 0.000 2 432 42 42 ASN HB3 H 2.968 0.000 2 433 42 42 ASN HD21 H 6.889 0.000 2 434 42 42 ASN HD22 H 7.779 0.000 2 435 42 42 ASN CA C 53.248 0.000 1 436 42 42 ASN CB C 34.435 0.000 1 437 42 42 ASN N N 118.585 0.000 1 438 42 42 ASN ND2 N 112.356 0.000 1 439 43 43 VAL H H 8.213 0.000 1 440 43 43 VAL HA H 3.524 0.000 1 441 43 43 VAL HB H 2.283 0.000 1 442 43 43 VAL HG1 H 0.759 0.000 . 443 43 43 VAL HG2 H 0.984 0.000 . 444 43 43 VAL CA C 64.049 0.000 1 445 43 43 VAL CB C 28.236 0.000 1 446 43 43 VAL CG1 C 18.925 0.000 2 447 43 43 VAL CG2 C 20.207 0.000 2 448 43 43 VAL N N 122.328 0.000 1 449 44 44 GLY H H 8.349 0.000 1 450 44 44 GLY HA2 H 4.012 0.000 2 451 44 44 GLY HA3 H 3.748 0.000 2 452 44 44 GLY CA C 44.807 0.000 1 453 44 44 GLY N N 106.414 0.000 1 454 45 45 LEU H H 8.203 0.000 1 455 45 45 LEU HA H 4.131 0.000 1 456 45 45 LEU HB2 H 1.638 0.000 2 457 45 45 LEU HB3 H 1.958 0.000 2 458 45 45 LEU HG H 1.759 0.000 1 459 45 45 LEU HD1 H 0.878 0.000 . 460 45 45 LEU HD2 H 0.878 0.000 . 461 45 45 LEU CA C 54.728 0.000 1 462 45 45 LEU CB C 38.718 0.000 1 463 45 45 LEU CG C 24.206 0.000 1 464 45 45 LEU CD1 C 21.804 0.000 2 465 45 45 LEU N N 123.430 0.000 1 466 46 46 THR H H 8.098 0.000 1 467 46 46 THR HA H 3.862 0.000 1 468 46 46 THR HB H 4.148 0.000 1 469 46 46 THR HG2 H 1.221 0.000 . 470 46 46 THR CA C 63.646 0.000 1 471 46 46 THR CB C 65.380 0.000 1 472 46 46 THR CG2 C 20.025 0.000 1 473 46 46 THR N N 117.096 0.000 1 474 47 47 LEU H H 8.665 0.000 1 475 47 47 LEU HA H 4.059 0.000 1 476 47 47 LEU HB2 H 1.539 0.000 2 477 47 47 LEU HB3 H 2.107 0.000 2 478 47 47 LEU HG H 1.465 0.000 1 479 47 47 LEU HD1 H 0.985 0.000 . 480 47 47 LEU HD2 H 0.907 0.000 . 481 47 47 LEU CA C 55.041 0.000 1 482 47 47 LEU CB C 38.072 0.000 1 483 47 47 LEU CG C 21.706 0.000 1 484 47 47 LEU CD1 C 20.978 0.000 2 485 47 47 LEU CD2 C 21.035 0.000 2 486 47 47 LEU N N 123.627 0.000 1 487 48 48 ARG H H 8.123 0.000 1 488 48 48 ARG HA H 3.937 0.000 1 489 48 48 ARG HB2 H 1.962 0.000 2 490 48 48 ARG HB3 H 1.962 0.000 2 491 48 48 ARG HG2 H 1.666 0.000 2 492 48 48 ARG HG3 H 1.559 0.000 2 493 48 48 ARG HD2 H 3.178 0.000 2 494 48 48 ARG HD3 H 3.178 0.000 2 495 48 48 ARG CA C 56.798 0.000 1 496 48 48 ARG CB C 26.781 0.000 1 497 48 48 ARG CG C 24.252 0.000 1 498 48 48 ARG CD C 40.181 0.000 1 499 48 48 ARG N N 119.322 0.000 1 500 49 49 LYS H H 7.685 0.000 1 501 49 49 LYS HA H 4.049 0.000 1 502 49 49 LYS HB2 H 1.915 0.000 2 503 49 49 LYS HB3 H 1.915 0.000 2 504 49 49 LYS HG2 H 1.441 0.000 2 505 49 49 LYS HG3 H 1.441 0.000 2 506 49 49 LYS HD2 H 1.674 0.000 2 507 49 49 LYS HD3 H 1.674 0.000 2 508 49 49 LYS HE2 H 2.939 0.000 2 509 49 49 LYS HE3 H 2.939 0.000 2 510 49 49 LYS CA C 56.712 0.000 1 511 49 49 LYS CB C 29.249 0.000 1 512 49 49 LYS CG C 22.245 0.000 1 513 49 49 LYS CD C 26.565 0.000 1 514 49 49 LYS CE C 38.931 0.000 1 515 49 49 LYS N N 120.295 0.000 1 516 50 50 LEU H H 8.157 0.000 1 517 50 50 LEU HA H 4.074 0.000 1 518 50 50 LEU HB2 H 2.434 0.000 2 519 50 50 LEU HB3 H 1.378 0.000 2 520 50 50 LEU HG H 1.380 0.000 1 521 50 50 LEU HD1 H 0.864 0.000 . 522 50 50 LEU HD2 H 1.002 0.000 . 523 50 50 LEU CA C 55.024 0.000 1 524 50 50 LEU CB C 38.309 0.000 1 525 50 50 LEU CG C 24.726 0.000 1 526 50 50 LEU CD1 C 23.932 0.000 2 527 50 50 LEU CD2 C 21.927 0.000 2 528 50 50 LEU N N 121.345 0.000 1 529 51 51 ILE H H 8.981 0.000 1 530 51 51 ILE HA H 3.418 0.000 1 531 51 51 ILE HB H 2.082 0.000 1 532 51 51 ILE HG12 H 1.382 0.000 2 533 51 51 ILE HG13 H 1.638 0.000 2 534 51 51 ILE HG2 H 0.911 0.000 . 535 51 51 ILE HD1 H 0.793 0.000 . 536 51 51 ILE CA C 61.865 0.000 1 537 51 51 ILE CB C 33.184 0.000 1 538 51 51 ILE CG1 C 25.583 0.000 1 539 51 51 ILE CG2 C 14.194 0.000 1 540 51 51 ILE CD1 C 7.929 0.000 1 541 51 51 ILE N N 120.276 0.000 1 542 52 52 GLY H H 8.136 0.000 1 543 52 52 GLY HA2 H 3.980 0.000 2 544 52 52 GLY HA3 H 3.920 0.000 2 545 52 52 GLY CA C 44.625 0.000 1 546 52 52 GLY N N 106.021 0.000 1 547 53 53 SER H H 8.113 0.000 1 548 53 53 SER HA H 4.348 0.000 1 549 53 53 SER HB2 H 3.911 0.000 2 550 53 53 SER HB3 H 3.847 0.000 2 551 53 53 SER CA C 58.386 0.000 1 552 53 53 SER CB C 59.840 0.000 1 553 53 53 SER N N 116.896 0.000 1 554 54 54 VAL H H 7.789 0.000 1 555 54 54 VAL HA H 3.622 0.000 1 556 54 54 VAL HB H 2.142 0.000 1 557 54 54 VAL HG1 H 0.791 0.000 . 558 54 54 VAL HG2 H 1.045 0.000 . 559 54 54 VAL CA C 63.551 0.000 1 560 54 54 VAL CB C 28.573 0.000 1 561 54 54 VAL CG1 C 20.028 0.000 2 562 54 54 VAL CG2 C 21.904 0.000 2 563 54 54 VAL N N 123.810 0.000 1 564 55 55 ASP H H 8.626 0.000 1 565 55 55 ASP HA H 4.433 0.000 1 566 55 55 ASP HB2 H 2.928 0.000 2 567 55 55 ASP HB3 H 2.573 0.000 2 568 55 55 ASP CA C 55.059 0.000 1 569 55 55 ASP CB C 36.787 0.000 1 570 55 55 ASP N N 122.514 0.000 1 571 56 56 ASP H H 7.736 0.000 1 572 56 56 ASP HA H 4.374 0.000 1 573 56 56 ASP HB2 H 2.660 0.000 2 574 56 56 ASP HB3 H 2.660 0.000 2 575 56 56 ASP CA C 53.527 0.000 1 576 56 56 ASP CB C 37.783 0.000 1 577 56 56 ASP N N 116.790 0.000 1 578 57 57 LEU H H 7.358 0.000 1 579 57 57 LEU HA H 4.363 0.000 1 580 57 57 LEU HB2 H 1.770 0.000 2 581 57 57 LEU HB3 H 1.770 0.000 2 582 57 57 LEU HG H 1.760 0.000 1 583 57 57 LEU HD1 H 0.944 0.000 . 584 57 57 LEU HD2 H 0.944 0.000 . 585 57 57 LEU CA C 52.545 0.000 1 586 57 57 LEU CB C 40.602 0.000 1 587 57 57 LEU CG C 23.315 0.000 1 588 57 57 LEU CD1 C 21.494 0.000 2 589 57 57 LEU N N 118.956 0.000 1 590 58 58 LEU H H 7.842 0.000 1 591 58 58 LEU HA H 3.890 0.000 1 592 58 58 LEU HB2 H 2.060 0.000 2 593 58 58 LEU HB3 H 1.418 0.000 2 594 58 58 LEU HG H 1.946 0.000 1 595 58 58 LEU HD1 H 1.033 0.000 . 596 58 58 LEU HD2 H 0.849 0.000 . 597 58 58 LEU CA C 57.257 0.000 1 598 58 58 LEU CB C 37.501 0.000 1 599 58 58 LEU CG C 24.181 0.000 1 600 58 58 LEU CD1 C 22.866 0.000 2 601 58 58 LEU CD2 C 20.864 0.000 2 602 58 58 LEU N N 119.411 0.000 1 603 59 59 PRO HA H 4.330 0.000 1 604 59 59 PRO HB2 H 1.805 0.000 2 605 59 59 PRO HB3 H 2.387 0.000 2 606 59 59 PRO HG2 H 2.074 0.000 2 607 59 59 PRO HG3 H 2.074 0.000 2 608 59 59 PRO HD2 H 3.820 0.000 2 609 59 59 PRO HD3 H 3.405 0.000 2 610 59 59 PRO CA C 62.566 0.000 1 611 59 59 PRO CB C 28.343 0.000 1 612 59 59 PRO CG C 25.131 0.000 1 613 59 59 PRO CD C 47.731 0.000 1 614 60 60 SER H H 8.117 0.000 1 615 60 60 SER HA H 4.350 0.000 1 616 60 60 SER HB2 H 4.332 0.000 2 617 60 60 SER HB3 H 4.332 0.000 2 618 60 60 SER CA C 58.446 0.000 1 619 60 60 SER CB C 61.153 0.000 1 620 60 60 SER N N 110.513 0.000 1 621 61 61 LEU H H 7.802 0.000 1 622 61 61 LEU HA H 4.683 0.000 1 623 61 61 LEU HB2 H 1.780 0.000 2 624 61 61 LEU HB3 H 1.307 0.000 2 625 61 61 LEU HG H 1.888 0.000 1 626 61 61 LEU HD1 H 0.785 0.000 . 627 61 61 LEU HD2 H 0.708 0.000 . 628 61 61 LEU CA C 49.389 0.000 1 629 61 61 LEU CB C 37.633 0.000 1 630 61 61 LEU CG C 22.963 0.000 1 631 61 61 LEU CD1 C 22.820 0.000 2 632 61 61 LEU CD2 C 18.420 0.000 2 633 61 61 LEU N N 122.023 0.000 1 634 62 62 PRO HA H 4.008 0.000 1 635 62 62 PRO HB2 H 2.119 0.000 2 636 62 62 PRO HB3 H 1.970 0.000 2 637 62 62 PRO HG2 H 2.115 0.000 2 638 62 62 PRO HG3 H 2.038 0.000 2 639 62 62 PRO HD2 H 3.525 0.000 2 640 62 62 PRO HD3 H 3.798 0.000 2 641 62 62 PRO CA C 61.194 0.000 1 642 62 62 PRO CB C 28.385 0.000 1 643 62 62 PRO CG C 25.214 0.000 1 644 62 62 PRO CD C 47.658 0.000 1 645 63 63 SER H H 7.985 0.000 1 646 63 63 SER HA H 4.416 0.000 1 647 63 63 SER HB2 H 3.957 0.000 2 648 63 63 SER HB3 H 3.957 0.000 2 649 63 63 SER CA C 56.891 0.000 1 650 63 63 SER CB C 59.896 0.000 1 651 64 64 SER H H 8.550 0.000 1 652 64 64 SER HA H 4.255 0.000 1 653 64 64 SER HB2 H 3.963 0.000 2 654 64 64 SER HB3 H 3.909 0.000 2 655 64 64 SER CA C 57.906 0.000 1 656 64 64 SER CB C 59.627 0.000 1 657 64 64 SER N N 115.279 0.000 1 658 65 65 SER H H 7.510 0.000 1 659 65 65 SER HA H 4.541 0.000 1 660 65 65 SER HB2 H 3.919 0.000 2 661 65 65 SER HB3 H 3.843 0.000 2 662 65 65 SER CA C 57.789 0.000 1 663 65 65 SER CB C 61.171 0.000 1 664 65 65 SER N N 117.829 0.000 1 665 66 66 ARG H H 7.804 0.000 1 666 66 66 ARG HA H 3.742 0.000 1 667 66 66 ARG HB2 H 1.928 0.000 2 668 66 66 ARG HB3 H 1.928 0.000 2 669 66 66 ARG HG2 H 1.771 0.000 2 670 66 66 ARG HG3 H 1.468 0.000 2 671 66 66 ARG HD2 H 3.172 0.000 2 672 66 66 ARG HD3 H 3.172 0.000 2 673 66 66 ARG CA C 57.510 0.000 1 674 66 66 ARG CB C 26.890 0.000 1 675 66 66 ARG CG C 24.983 0.000 1 676 66 66 ARG CD C 40.707 0.000 1 677 66 66 ARG N N 120.276 0.000 1 678 67 67 THR H H 7.995 0.000 1 679 67 67 THR HA H 3.974 0.000 1 680 67 67 THR HB H 4.149 0.000 1 681 67 67 THR HG2 H 1.254 0.000 . 682 67 67 THR CA C 63.482 0.000 1 683 67 67 THR CB C 65.385 0.000 1 684 67 67 THR CG2 C 18.785 0.000 1 685 67 67 THR N N 113.506 0.000 1 686 68 68 GLU H H 7.907 0.000 1 687 68 68 GLU HA H 4.121 0.000 1 688 68 68 GLU HB2 H 2.098 0.000 2 689 68 68 GLU HB3 H 2.098 0.000 2 690 68 68 GLU HG2 H 2.289 0.000 2 691 68 68 GLU HG3 H 2.198 0.000 2 692 68 68 GLU CA C 56.197 0.000 1 693 68 68 GLU CB C 26.520 0.000 1 694 68 68 GLU CG C 32.940 0.000 1 695 68 68 GLU N N 122.251 0.000 1 696 69 69 ILE H H 7.907 0.000 1 697 69 69 ILE HA H 3.493 0.000 1 698 69 69 ILE HB H 1.750 0.000 1 699 69 69 ILE HG12 H 1.788 0.000 2 700 69 69 ILE HG13 H 0.818 0.000 2 701 69 69 ILE HD1 H 0.693 0.000 . 702 69 69 ILE CA C 62.668 0.000 1 703 69 69 ILE CB C 34.837 0.000 1 704 69 69 ILE CG1 C 27.212 0.000 1 705 69 69 ILE CG2 C 15.447 0.000 1 706 69 69 ILE CD1 C 11.381 0.000 1 707 69 69 ILE N N 121.022 0.000 1 708 70 70 GLU H H 8.932 0.000 1 709 70 70 GLU HA H 4.498 0.000 1 710 70 70 GLU HB2 H 2.155 0.000 2 711 70 70 GLU HB3 H 1.976 0.000 2 712 70 70 GLU HG2 H 2.479 0.000 2 713 70 70 GLU HG3 H 2.239 0.000 2 714 70 70 GLU CA C 56.082 0.000 1 715 70 70 GLU CB C 26.601 0.000 1 716 70 70 GLU CG C 34.264 0.000 1 717 70 70 GLU N N 120.946 0.000 1 718 71 71 GLY H H 8.049 0.000 1 719 71 71 GLY HA2 H 3.859 0.000 2 720 71 71 GLY HA3 H 4.061 0.000 2 721 71 71 GLY CA C 44.197 0.000 1 722 71 71 GLY N N 106.288 0.000 1 723 72 72 THR H H 7.943 0.000 1 724 72 72 THR HA H 4.106 0.000 1 725 72 72 THR HB H 4.148 0.000 1 726 72 72 THR HG2 H 1.220 0.000 . 727 72 72 THR CA C 63.268 0.000 1 728 72 72 THR CB C 65.029 0.000 1 729 72 72 THR CG2 C 20.106 0.000 1 730 72 72 THR N N 119.521 0.000 1 731 73 73 GLN H H 8.472 0.000 1 732 73 73 GLN HA H 3.773 0.000 1 733 73 73 GLN HB2 H 2.035 0.000 2 734 73 73 GLN HB3 H 2.604 0.000 2 735 73 73 GLN HG2 H 2.590 0.000 2 736 73 73 GLN HG3 H 1.733 0.000 2 737 73 73 GLN HE21 H 5.483 0.000 2 738 73 73 GLN HE22 H 7.597 0.000 2 739 73 73 GLN CA C 57.686 0.000 1 740 73 73 GLN CB C 27.041 0.000 1 741 73 73 GLN CG C 33.116 0.000 1 742 73 73 GLN N N 122.305 0.000 1 743 73 73 GLN NE2 N 109.957 0.000 1 744 74 74 LYS H H 7.769 0.000 1 745 74 74 LYS HA H 4.045 0.000 1 746 74 74 LYS HB2 H 1.981 0.000 2 747 74 74 LYS HB3 H 1.981 0.000 2 748 74 74 LYS HG2 H 1.701 0.000 2 749 74 74 LYS HG3 H 1.701 0.000 2 750 74 74 LYS HD2 H 1.701 0.000 2 751 74 74 LYS HD3 H 1.701 0.000 2 752 74 74 LYS HE2 H 2.937 0.000 2 753 74 74 LYS HE3 H 2.937 0.000 2 754 74 74 LYS CA C 56.876 0.000 1 755 74 74 LYS CB C 28.951 0.000 1 756 74 74 LYS CG C 22.584 0.000 1 757 74 74 LYS CD C 26.629 0.000 1 758 74 74 LYS CE C 39.020 0.000 1 759 74 74 LYS N N 117.470 0.000 1 760 75 75 LEU H H 7.670 0.000 1 761 75 75 LEU HA H 4.066 0.000 1 762 75 75 LEU HB2 H 1.875 0.000 2 763 75 75 LEU HB3 H 1.737 0.000 2 764 75 75 LEU HG H 1.693 0.000 1 765 75 75 LEU HD1 H 0.872 0.000 . 766 75 75 LEU HD2 H 0.872 0.000 . 767 75 75 LEU CA C 54.945 0.000 1 768 75 75 LEU CB C 38.549 0.000 1 769 75 75 LEU CG C 23.756 0.000 1 770 75 75 LEU CD1 C 21.571 0.000 2 771 75 75 LEU N N 121.770 0.000 1 772 76 76 LEU H H 7.985 0.000 1 773 76 76 LEU HA H 4.111 0.000 1 774 76 76 LEU HB2 H 1.452 0.000 2 775 76 76 LEU HB3 H 2.040 0.000 2 776 76 76 LEU HG H 1.753 0.000 1 777 76 76 LEU HD1 H 0.894 0.000 . 778 76 76 LEU HD2 H 0.894 0.000 . 779 76 76 LEU CA C 55.200 0.000 1 780 76 76 LEU CB C 38.446 0.000 1 781 76 76 LEU CG C 23.966 0.000 1 782 76 76 LEU CD1 C 22.005 0.000 2 783 76 76 LEU N N 118.590 0.000 1 784 77 77 ASN H H 7.620 0.000 1 785 77 77 ASN HA H 4.448 0.000 1 786 77 77 ASN HB2 H 2.816 0.000 2 787 77 77 ASN HB3 H 2.696 0.000 2 788 77 77 ASN HD21 H 6.422 0.000 2 789 77 77 ASN HD22 H 7.243 0.000 2 790 77 77 ASN CA C 53.609 0.000 1 791 77 77 ASN CB C 35.496 0.000 1 792 77 77 ASN N N 116.292 0.000 1 793 77 77 ASN ND2 N 110.762 0.000 1 794 78 78 LYS H H 7.939 0.000 1 795 78 78 LYS HA H 4.092 0.000 1 796 78 78 LYS HB2 H 2.077 0.000 2 797 78 78 LYS HB3 H 1.962 0.000 2 798 78 78 LYS HG2 H 1.571 0.000 2 799 78 78 LYS HG3 H 1.571 0.000 2 800 78 78 LYS HD2 H 1.657 0.000 2 801 78 78 LYS HD3 H 1.657 0.000 2 802 78 78 LYS HE2 H 2.943 0.000 2 803 78 78 LYS HE3 H 2.943 0.000 2 804 78 78 LYS CA C 56.706 0.000 1 805 78 78 LYS CB C 28.745 0.000 1 806 78 78 LYS CG C 22.015 0.000 1 807 78 78 LYS CD C 26.477 0.000 1 808 78 78 LYS CE C 38.996 0.000 1 809 78 78 LYS N N 124.328 0.000 1 810 79 79 ASP H H 9.135 0.000 1 811 79 79 ASP HA H 4.333 0.000 1 812 79 79 ASP HB2 H 3.269 0.000 2 813 79 79 ASP HB3 H 2.554 0.000 2 814 79 79 ASP CA C 52.584 0.000 1 815 79 79 ASP CB C 35.446 0.000 1 816 79 79 ASP N N 120.664 0.000 1 817 80 80 LEU H H 8.397 0.000 1 818 80 80 LEU HA H 4.065 0.000 1 819 80 80 LEU HB2 H 2.042 0.000 2 820 80 80 LEU HB3 H 1.469 0.000 2 821 80 80 LEU HG H 1.716 0.000 1 822 80 80 LEU HD1 H 0.952 0.000 . 823 80 80 LEU HD2 H 0.848 0.000 . 824 80 80 LEU CA C 55.030 0.000 1 825 80 80 LEU CB C 37.735 0.000 1 826 80 80 LEU CG C 24.016 0.000 1 827 80 80 LEU CD1 C 23.353 0.000 2 828 80 80 LEU CD2 C 22.169 0.000 2 829 80 80 LEU N N 122.863 0.000 1 830 81 81 ALA H H 7.730 0.000 1 831 81 81 ALA HA H 4.027 0.000 1 832 81 81 ALA HB H 1.546 0.000 . 833 81 81 ALA CA C 52.448 0.000 1 834 81 81 ALA CB C 14.402 0.000 1 835 81 81 ALA N N 121.604 0.000 1 836 82 82 GLU H H 8.223 0.000 1 837 82 82 GLU HA H 4.289 0.000 1 838 82 82 GLU HB2 H 2.099 0.000 2 839 82 82 GLU HB3 H 2.099 0.000 2 840 82 82 GLU HG2 H 2.434 0.000 2 841 82 82 GLU HG3 H 2.434 0.000 2 842 82 82 GLU CA C 55.821 0.000 1 843 82 82 GLU CB C 26.299 0.000 1 844 82 82 GLU CG C 31.069 0.000 1 845 82 82 GLU N N 118.196 0.000 1 846 83 83 LEU H H 7.905 0.000 1 847 83 83 LEU HA H 3.955 0.000 1 848 83 83 LEU HB2 H 1.295 0.000 2 849 83 83 LEU HB3 H 2.337 0.000 2 850 83 83 LEU HG H 1.555 0.000 1 851 83 83 LEU HD1 H 0.816 0.000 . 852 83 83 LEU HD2 H 0.816 0.000 . 853 83 83 LEU CA C 55.624 0.000 1 854 83 83 LEU CB C 38.483 0.000 1 855 83 83 LEU CG C 24.161 0.000 1 856 83 83 LEU CD1 C 23.469 0.000 2 857 83 83 LEU N N 121.033 0.000 1 858 84 84 ILE H H 8.534 0.000 1 859 84 84 ILE HA H 3.560 0.000 1 860 84 84 ILE HB H 1.902 0.000 1 861 84 84 ILE HG12 H 0.976 0.000 2 862 84 84 ILE HG13 H 1.669 0.000 2 863 84 84 ILE HG2 H 0.897 0.000 . 864 84 84 ILE HD1 H 0.801 0.000 . 865 84 84 ILE CA C 62.834 0.000 1 866 84 84 ILE CB C 34.702 0.000 1 867 84 84 ILE CG1 C 27.053 0.000 1 868 84 84 ILE CG2 C 14.036 0.000 1 869 84 84 ILE CD1 C 10.224 0.000 1 870 84 84 ILE N N 119.483 0.000 1 871 85 85 ASN H H 8.154 0.000 1 872 85 85 ASN HA H 4.454 0.000 1 873 85 85 ASN HB2 H 2.887 0.000 2 874 85 85 ASN HB3 H 2.983 0.000 2 875 85 85 ASN HD21 H 6.845 0.000 2 876 85 85 ASN HD22 H 7.593 0.000 2 877 85 85 ASN CA C 53.765 0.000 1 878 85 85 ASN CB C 35.462 0.000 1 879 85 85 ASN N N 118.591 0.000 1 880 85 85 ASN ND2 N 112.599 0.000 1 881 86 86 LYS H H 8.533 0.000 1 882 86 86 LYS HA H 4.097 0.000 1 883 86 86 LYS HB2 H 2.000 0.000 2 884 86 86 LYS HB3 H 2.000 0.000 2 885 86 86 LYS HG2 H 1.833 0.000 2 886 86 86 LYS HG3 H 1.833 0.000 2 887 86 86 LYS HE2 H 3.013 0.000 2 888 86 86 LYS HE3 H 3.013 0.000 2 889 86 86 LYS CA C 54.888 0.000 1 890 86 86 LYS CB C 28.268 0.000 1 891 86 86 LYS CG C 21.665 0.000 1 892 86 86 LYS CD C 24.763 0.000 1 893 86 86 LYS CE C 39.531 0.000 1 894 86 86 LYS N N 117.823 0.000 1 895 87 87 MET H H 8.739 0.000 1 896 87 87 MET HA H 4.386 0.000 1 897 87 87 MET HB2 H 2.030 0.000 2 898 87 87 MET HB3 H 1.917 0.000 2 899 87 87 MET HG2 H 2.541 0.000 2 900 87 87 MET HG3 H 2.541 0.000 2 901 87 87 MET HE H 1.609 0.000 . 902 87 87 MET CA C 56.165 0.000 1 903 87 87 MET CB C 29.519 0.000 1 904 87 87 MET CG C 28.670 0.000 1 905 87 87 MET CE C 13.999 0.000 1 906 87 87 MET N N 122.900 0.000 1 907 88 88 ARG H H 8.291 0.000 1 908 88 88 ARG HA H 4.119 0.000 1 909 88 88 ARG HB2 H 1.964 0.000 2 910 88 88 ARG HB3 H 1.964 0.000 2 911 88 88 ARG HG2 H 1.874 0.000 2 912 88 88 ARG HG3 H 1.665 0.000 2 913 88 88 ARG HD2 H 3.199 0.000 2 914 88 88 ARG HD3 H 3.199 0.000 2 915 88 88 ARG CA C 56.287 0.000 1 916 88 88 ARG CB C 26.511 0.000 1 917 88 88 ARG CG C 24.513 0.000 1 918 88 88 ARG CD C 40.149 0.000 1 919 88 88 ARG N N 119.722 0.000 1 920 89 89 LEU H H 7.754 0.000 1 921 89 89 LEU HA H 4.072 0.000 1 922 89 89 LEU HB2 H 1.821 0.000 2 923 89 89 LEU HB3 H 1.622 0.000 2 924 89 89 LEU HG H 1.673 0.000 1 925 89 89 LEU HD1 H 0.872 0.000 . 926 89 89 LEU HD2 H 0.872 0.000 . 927 89 89 LEU CA C 54.821 0.000 1 928 89 89 LEU CB C 38.657 0.000 1 929 89 89 LEU CG C 26.524 0.000 1 930 89 89 LEU CD1 C 19.989 0.000 2 931 89 89 LEU N N 119.699 0.000 1 932 90 90 ALA H H 8.146 0.000 1 933 90 90 ALA HA H 4.035 0.000 1 934 90 90 ALA HB H 1.491 0.000 . 935 90 90 ALA CA C 52.219 0.000 1 936 90 90 ALA CB C 14.806 0.000 1 937 90 90 ALA N N 122.323 0.000 1 938 91 91 GLN H H 8.235 0.000 1 939 91 91 GLN HA H 3.996 0.000 1 940 91 91 GLN HB2 H 2.283 0.000 2 941 91 91 GLN HB3 H 2.133 0.000 2 942 91 91 GLN HG2 H 2.202 0.000 2 943 91 91 GLN HG3 H 2.558 0.000 2 944 91 91 GLN HE21 H 6.426 0.000 2 945 91 91 GLN HE22 H 7.315 0.000 2 946 91 91 GLN CA C 55.339 0.000 1 947 91 91 GLN CB C 26.112 0.000 1 948 91 91 GLN CG C 31.438 0.000 1 949 91 91 GLN N N 116.848 0.000 1 950 91 91 GLN NE2 N 109.846 0.000 1 951 92 92 GLN H H 8.045 0.000 1 952 92 92 GLN HA H 4.135 0.000 1 953 92 92 GLN HB2 H 2.123 0.000 2 954 92 92 GLN HB3 H 2.123 0.000 2 955 92 92 GLN HG2 H 2.500 0.000 2 956 92 92 GLN HG3 H 2.446 0.000 2 957 92 92 GLN HE21 H 6.745 0.000 2 958 92 92 GLN HE22 H 7.387 0.000 2 959 92 92 GLN CA C 54.773 0.000 1 960 92 92 GLN CB C 26.012 0.000 1 961 92 92 GLN CG C 30.963 0.000 1 962 92 92 GLN N N 118.019 0.000 1 963 92 92 GLN NE2 N 110.855 0.000 1 964 93 93 ASN H H 7.823 0.000 1 965 93 93 ASN HA H 4.807 0.000 1 966 93 93 ASN HB2 H 2.792 0.000 2 967 93 93 ASN HB3 H 2.530 0.000 2 968 93 93 ASN HD21 H 7.194 0.000 2 969 93 93 ASN HD22 H 7.442 0.000 2 970 93 93 ASN CA C 50.779 0.000 1 971 93 93 ASN CB C 35.656 0.000 1 972 93 93 ASN N N 115.968 0.000 1 973 93 93 ASN ND2 N 113.802 0.000 1 974 94 94 ALA H H 7.645 0.000 1 975 94 94 ALA HA H 4.288 0.000 1 976 94 94 ALA HB H 1.529 0.000 . 977 94 94 ALA CA C 51.725 0.000 1 978 94 94 ALA CB C 16.092 0.000 1 979 94 94 ALA N N 123.239 0.000 1 980 95 95 VAL H H 7.891 0.000 1 981 95 95 VAL HA H 4.453 0.000 1 982 95 95 VAL HB H 2.393 0.000 1 983 95 95 VAL HG1 H 0.929 0.000 . 984 95 95 VAL HG2 H 0.929 0.000 . 985 95 95 VAL CA C 58.251 0.000 1 986 95 95 VAL CB C 28.512 0.000 1 987 95 95 VAL CG2 C 16.496 0.000 2 988 95 95 VAL N N 111.959 0.000 1 989 96 96 THR H H 7.773 0.000 1 990 96 96 THR HA H 4.631 0.000 1 991 96 96 THR HB H 4.529 0.000 1 992 96 96 THR HG2 H 1.280 0.000 . 993 96 96 THR CA C 58.630 0.000 1 994 96 96 THR CB C 68.174 0.000 1 995 96 96 THR CG2 C 18.716 0.000 1 996 96 96 THR N N 113.698 0.000 1 997 98 98 LEU H H 7.929 0.000 1 998 98 98 LEU HA H 4.509 0.000 1 999 98 98 LEU HB2 H 1.666 0.000 2 1000 98 98 LEU HB3 H 1.537 0.000 2 1001 98 98 LEU HG H 1.659 0.000 1 1002 98 98 LEU HD1 H 0.817 0.000 . 1003 98 98 LEU HD2 H 0.817 0.000 . 1004 98 98 LEU CA C 51.924 0.000 1 1005 98 98 LEU CB C 39.400 0.000 1 1006 98 98 LEU CG C 24.048 0.000 1 1007 98 98 LEU CD1 C 20.489 0.000 2 1008 98 98 LEU N N 122.520 0.000 1 1009 99 99 SER H H 7.890 0.000 1 1010 99 99 SER HA H 4.063 0.000 1 1011 99 99 SER HB2 H 4.239 0.000 2 1012 99 99 SER HB3 H 4.133 0.000 2 1013 99 99 SER CA C 57.959 0.000 1 1014 99 99 SER CB C 60.553 0.000 1 1015 99 99 SER N N 116.908 0.000 1 1016 100 100 GLU H H 8.483 0.000 1 1017 100 100 GLU HA H 4.048 0.000 1 1018 100 100 GLU HB2 H 2.090 0.000 2 1019 100 100 GLU HB3 H 2.090 0.000 2 1020 100 100 GLU HG2 H 2.377 0.000 2 1021 100 100 GLU HG3 H 2.349 0.000 2 1022 100 100 GLU CA C 56.661 0.000 1 1023 100 100 GLU CB C 26.074 0.000 1 1024 100 100 GLU CG C 33.126 0.000 1 1025 100 100 GLU N N 120.438 0.000 1 1026 101 101 GLU H H 8.265 0.000 1 1027 101 101 GLU HA H 4.118 0.000 1 1028 101 101 GLU HB2 H 1.907 0.000 2 1029 101 101 GLU HB3 H 1.907 0.000 2 1030 101 101 GLU HG2 H 2.357 0.000 2 1031 101 101 GLU HG3 H 2.290 0.000 2 1032 101 101 GLU CA C 56.036 0.000 1 1033 101 101 GLU CB C 26.068 0.000 1 1034 101 101 GLU CG C 33.004 0.000 1 1035 101 101 GLU N N 121.245 0.000 1 1036 102 102 ALA H H 8.299 0.000 1 1037 102 102 ALA HA H 4.090 0.000 1 1038 102 102 ALA HB H 1.424 0.000 . 1039 102 102 ALA CA C 52.069 0.000 1 1040 102 102 ALA CB C 15.195 0.000 1 1041 102 102 ALA N N 121.752 0.000 1 1042 103 103 LYS H H 8.162 0.000 1 1043 103 103 LYS HA H 3.776 0.000 1 1044 103 103 LYS HB2 H 1.960 0.000 2 1045 103 103 LYS HB3 H 1.827 0.000 2 1046 103 103 LYS HG2 H 1.434 0.000 2 1047 103 103 LYS HG3 H 1.434 0.000 2 1048 103 103 LYS HD2 H 1.660 0.000 2 1049 103 103 LYS HD3 H 1.660 0.000 2 1050 103 103 LYS HE2 H 2.941 0.000 2 1051 103 103 LYS HE3 H 2.941 0.000 2 1052 103 103 LYS CA C 57.444 0.000 1 1053 103 103 LYS CB C 29.058 0.000 1 1054 103 103 LYS CG C 21.887 0.000 1 1055 103 103 LYS CD C 26.681 0.000 1 1056 103 103 LYS CE C 38.890 0.000 1 1057 103 103 LYS N N 119.164 0.000 1 1058 104 104 ARG H H 8.124 0.000 1 1059 104 104 ARG HA H 3.938 0.000 1 1060 104 104 ARG HB2 H 1.962 0.000 2 1061 104 104 ARG HB3 H 1.962 0.000 2 1062 104 104 ARG HG2 H 1.557 0.000 2 1063 104 104 ARG HG3 H 1.557 0.000 2 1064 104 104 ARG HD2 H 3.204 0.000 2 1065 104 104 ARG HD3 H 3.204 0.000 2 1066 104 104 ARG CA C 56.860 0.000 1 1067 104 104 ARG CB C 26.574 0.000 1 1068 104 104 ARG CG C 24.525 0.000 1 1069 104 104 ARG CD C 40.029 0.000 1 1070 104 104 ARG N N 119.658 0.000 1 1071 105 105 GLN H H 8.239 0.000 1 1072 105 105 GLN HA H 4.119 0.000 1 1073 105 105 GLN HB2 H 2.012 0.000 2 1074 105 105 GLN HB3 H 2.171 0.000 2 1075 105 105 GLN HG2 H 2.439 0.000 2 1076 105 105 GLN HG3 H 2.727 0.000 2 1077 105 105 GLN HE21 H 6.733 0.000 2 1078 105 105 GLN HE22 H 7.830 0.000 2 1079 105 105 GLN CA C 56.087 0.000 1 1080 105 105 GLN CB C 25.114 0.000 1 1081 105 105 GLN CG C 30.871 0.000 1 1082 105 105 GLN N N 118.041 0.000 1 1083 105 105 GLN NE2 N 111.853 0.000 1 1084 106 106 MET H H 8.018 0.000 1 1085 106 106 MET HA H 3.874 0.000 1 1086 106 106 MET HB2 H 2.120 0.000 2 1087 106 106 MET HB3 H 2.041 0.000 2 1088 106 106 MET HG2 H 1.823 0.000 2 1089 106 106 MET HG3 H 1.823 0.000 2 1090 106 106 MET HE H 2.084 0.000 . 1091 106 106 MET CA C 56.806 0.000 1 1092 106 106 MET CB C 29.684 0.000 1 1093 106 106 MET CG C 28.678 0.000 1 1094 106 106 MET CE C 14.084 0.000 1 1095 106 106 MET N N 120.652 0.000 1 1096 107 107 LEU H H 8.347 0.000 1 1097 107 107 LEU HA H 3.975 0.000 1 1098 107 107 LEU HB2 H 1.573 0.000 2 1099 107 107 LEU HB3 H 1.972 0.000 2 1100 107 107 LEU HG H 1.560 0.000 1 1101 107 107 LEU HD1 H 0.831 0.000 . 1102 107 107 LEU HD2 H 0.831 0.000 . 1103 107 107 LEU CA C 55.240 0.000 1 1104 107 107 LEU CB C 37.729 0.000 1 1105 107 107 LEU CG C 24.514 0.000 1 1106 107 107 LEU CD1 C 22.081 0.000 2 1107 107 107 LEU N N 121.392 0.000 1 1108 108 108 THR H H 8.554 0.000 1 1109 108 108 THR HA H 4.001 0.000 1 1110 108 108 THR HB H 4.228 0.000 1 1111 108 108 THR HG2 H 1.266 0.000 . 1112 108 108 THR CA C 63.629 0.000 1 1113 108 108 THR CB C 65.560 0.000 1 1114 108 108 THR CG2 C 18.856 0.000 1 1115 108 108 THR N N 118.592 0.000 1 1116 109 109 ALA H H 7.931 0.000 1 1117 109 109 ALA HA H 4.248 0.000 1 1118 109 109 ALA HB H 1.493 0.000 . 1119 109 109 ALA CA C 51.865 0.000 1 1120 109 109 ALA CB C 15.003 0.000 1 1121 109 109 ALA N N 123.471 0.000 1 1122 110 110 SER H H 8.362 0.000 1 1123 110 110 SER HA H 4.048 0.000 1 1124 110 110 SER HB2 H 3.906 0.000 2 1125 110 110 SER HB3 H 3.906 0.000 2 1126 110 110 SER CA C 59.406 0.000 1 1127 110 110 SER CB C 59.468 0.000 1 1128 110 110 SER N N 116.087 0.000 1 1129 111 111 HIS H H 8.022 0.000 1 1130 111 111 HIS HA H 4.256 0.000 1 1131 111 111 HIS HB2 H 3.393 0.000 2 1132 111 111 HIS HB3 H 3.213 0.000 2 1133 111 111 HIS CA C 57.122 0.000 1 1134 111 111 HIS CB C 26.863 0.000 1 1135 111 111 HIS N N 123.445 0.000 1 1136 112 112 THR H H 8.185 0.000 1 1137 112 112 THR HA H 3.674 0.000 1 1138 112 112 THR HB H 4.082 0.000 1 1139 112 112 THR HG2 H 1.183 0.000 . 1140 112 112 THR CA C 63.525 0.000 1 1141 112 112 THR CB C 66.081 0.000 1 1142 112 112 THR CG2 C 19.280 0.000 1 1143 112 112 THR N N 115.601 0.000 1 1144 113 113 LEU H H 7.129 0.000 1 1145 113 113 LEU HA H 4.258 0.000 1 1146 113 113 LEU HB2 H 1.965 0.000 2 1147 113 113 LEU HB3 H 1.570 0.000 2 1148 113 113 LEU HG H 1.622 0.000 1 1149 113 113 LEU HD1 H 0.950 0.000 . 1150 113 113 LEU HD2 H 0.821 0.000 . 1151 113 113 LEU CA C 55.454 0.000 1 1152 113 113 LEU CB C 39.351 0.000 1 1153 113 113 LEU CG C 24.424 0.000 1 1154 113 113 LEU CD1 C 23.044 0.000 2 1155 113 113 LEU CD2 C 23.673 0.000 2 1156 113 113 LEU N N 119.695 0.000 1 1157 114 114 ALA H H 7.474 0.000 1 1158 114 114 ALA HA H 3.835 0.000 1 1159 114 114 ALA HB H 1.457 0.000 . 1160 114 114 ALA CA C 52.446 0.000 1 1161 114 114 ALA CB C 15.110 0.000 1 1162 114 114 ALA N N 119.562 0.000 1 1163 115 115 VAL H H 8.088 0.000 1 1164 115 115 VAL HA H 3.420 0.000 1 1165 115 115 VAL HB H 2.045 0.000 1 1166 115 115 VAL HG1 H 0.858 0.000 . 1167 115 115 VAL HG2 H 0.697 0.000 . 1168 115 115 VAL CA C 63.466 0.000 1 1169 115 115 VAL CB C 28.592 0.000 1 1170 115 115 VAL CG1 C 18.062 0.000 2 1171 115 115 VAL CG2 C 19.425 0.000 2 1172 115 115 VAL N N 120.076 0.000 1 1173 116 116 ASP H H 8.538 0.000 1 1174 116 116 ASP HA H 4.535 0.000 1 1175 116 116 ASP HB2 H 2.820 0.000 2 1176 116 116 ASP HB3 H 2.305 0.000 2 1177 116 116 ASP CA C 54.112 0.000 1 1178 116 116 ASP CB C 35.328 0.000 1 1179 116 116 ASP N N 120.644 0.000 1 1180 117 117 ALA H H 8.441 0.000 1 1181 117 117 ALA HA H 3.957 0.000 1 1182 117 117 ALA HB H 1.426 0.000 . 1183 117 117 ALA CA C 52.394 0.000 1 1184 117 117 ALA CB C 15.116 0.000 1 1185 117 117 ALA N N 124.024 0.000 1 1186 118 118 LYS H H 7.633 0.000 1 1187 118 118 LYS HA H 3.932 0.000 1 1188 118 118 LYS HB2 H 2.064 0.000 2 1189 118 118 LYS HB3 H 1.858 0.000 2 1190 118 118 LYS HG2 H 1.609 0.000 2 1191 118 118 LYS HG3 H 1.427 0.000 2 1192 118 118 LYS HD2 H 1.797 0.000 2 1193 118 118 LYS HD3 H 1.580 0.000 2 1194 118 118 LYS HE2 H 2.962 0.000 2 1195 118 118 LYS HE3 H 2.962 0.000 2 1196 118 118 LYS CA C 56.394 0.000 1 1197 118 118 LYS CB C 28.451 0.000 1 1198 118 118 LYS CG C 21.988 0.000 1 1199 118 118 LYS CD C 25.556 0.000 1 1200 118 118 LYS CE C 39.454 0.000 1 1201 118 118 LYS N N 118.777 0.000 1 1202 119 119 ASN H H 8.224 0.000 1 1203 119 119 ASN HA H 4.533 0.000 1 1204 119 119 ASN HB2 H 3.073 0.000 2 1205 119 119 ASN HB3 H 2.869 0.000 2 1206 119 119 ASN HD21 H 6.797 0.000 2 1207 119 119 ASN HD22 H 7.741 0.000 2 1208 119 119 ASN CA C 52.995 0.000 1 1209 119 119 ASN CB C 34.084 0.000 1 1210 119 119 ASN N N 119.142 0.000 1 1211 119 119 ASN ND2 N 111.802 0.000 1 1212 120 120 LEU H H 8.112 0.000 1 1213 120 120 LEU HA H 4.117 0.000 1 1214 120 120 LEU HB2 H 1.528 0.000 2 1215 120 120 LEU HB3 H 2.316 0.000 2 1216 120 120 LEU HG H 1.549 0.000 1 1217 120 120 LEU HD1 H 0.875 0.000 . 1218 120 120 LEU HD2 H 0.785 0.000 . 1219 120 120 LEU CA C 55.325 0.000 1 1220 120 120 LEU CB C 37.463 0.000 1 1221 120 120 LEU CG C 23.981 0.000 1 1222 120 120 LEU CD1 C 22.227 0.000 2 1223 120 120 LEU CD2 C 23.311 0.000 2 1224 120 120 LEU N N 123.090 0.000 1 1225 121 121 LEU H H 7.838 0.000 1 1226 121 121 LEU HA H 3.835 0.000 1 1227 121 121 LEU HB2 H 2.290 0.000 2 1228 121 121 LEU HB3 H 1.553 0.000 2 1229 121 121 LEU HG H 1.886 0.000 1 1230 121 121 LEU HD1 H 1.020 0.000 . 1231 121 121 LEU HD2 H 1.020 0.000 . 1232 121 121 LEU CA C 55.202 0.000 1 1233 121 121 LEU CB C 38.602 0.000 1 1234 121 121 LEU CG C 23.872 0.000 1 1235 121 121 LEU CD1 C 20.721 0.000 2 1236 121 121 LEU N N 120.452 0.000 1 1237 122 122 ASP H H 8.255 0.000 1 1238 122 122 ASP HA H 4.371 0.000 1 1239 122 122 ASP HB2 H 2.802 0.000 2 1240 122 122 ASP HB3 H 2.699 0.000 2 1241 122 122 ASP CA C 54.605 0.000 1 1242 122 122 ASP CB C 37.188 0.000 1 1243 122 122 ASP N N 117.456 0.000 1 1244 123 123 ALA H H 7.954 0.000 1 1245 123 123 ALA HA H 4.172 0.000 1 1246 123 123 ALA HB H 1.494 0.000 . 1247 123 123 ALA CA C 52.081 0.000 1 1248 123 123 ALA CB C 15.170 0.000 1 1249 123 123 ALA N N 122.347 0.000 1 1250 124 124 VAL H H 8.626 0.000 1 1251 124 124 VAL HA H 3.512 0.000 1 1252 124 124 VAL HB H 2.302 0.000 1 1253 124 124 VAL HG1 H 1.022 0.000 . 1254 124 124 VAL HG2 H 1.022 0.000 . 1255 124 124 VAL CA C 64.113 0.000 1 1256 124 124 VAL CB C 28.266 0.000 1 1257 124 124 VAL CG1 C 20.827 0.000 2 1258 124 124 VAL N N 121.576 0.000 1 1259 125 125 ASP H H 9.157 0.000 1 1260 125 125 ASP HA H 4.315 0.000 1 1261 125 125 ASP HB2 H 2.917 0.000 2 1262 125 125 ASP HB3 H 2.556 0.000 2 1263 125 125 ASP CA C 54.782 0.000 1 1264 125 125 ASP CB C 36.847 0.000 1 1265 125 125 ASP N N 121.207 0.000 1 1266 126 126 GLN H H 8.124 0.000 1 1267 126 126 GLN HA H 4.059 0.000 1 1268 126 126 GLN HB2 H 2.123 0.000 2 1269 126 126 GLN HB3 H 2.123 0.000 2 1270 126 126 GLN HG2 H 2.485 0.000 2 1271 126 126 GLN HG3 H 2.485 0.000 2 1272 126 126 GLN HE21 H 6.828 0.000 2 1273 126 126 GLN HE22 H 7.338 0.000 2 1274 126 126 GLN CA C 55.444 0.000 1 1275 126 126 GLN CB C 25.930 0.000 1 1276 126 126 GLN CG C 30.970 0.000 1 1277 126 126 GLN N N 117.824 0.000 1 1278 126 126 GLN NE2 N 111.485 0.000 1 1279 127 127 ALA H H 7.950 0.000 1 1280 127 127 ALA HA H 4.160 0.000 1 1281 127 127 ALA HB H 1.654 0.000 . 1282 127 127 ALA CA C 52.033 0.000 1 1283 127 127 ALA CB C 17.106 0.000 1 1284 127 127 ALA N N 122.709 0.000 1 1285 128 128 LYS H H 8.412 0.000 1 1286 128 128 LYS HA H 3.823 0.000 1 1287 128 128 LYS HB2 H 2.043 0.000 2 1288 128 128 LYS HB3 H 1.796 0.000 2 1289 128 128 LYS HG2 H 1.286 0.000 2 1290 128 128 LYS HG3 H 1.286 0.000 2 1291 128 128 LYS HD2 H 1.685 0.000 2 1292 128 128 LYS HD3 H 1.685 0.000 2 1293 128 128 LYS HE2 H 2.733 0.000 2 1294 128 128 LYS HE3 H 2.733 0.000 2 1295 128 128 LYS CA C 56.968 0.000 1 1296 128 128 LYS CB C 29.792 0.000 1 1297 128 128 LYS CG C 23.071 0.000 1 1298 128 128 LYS CD C 27.402 0.000 1 1299 128 128 LYS CE C 38.865 0.000 1 1300 128 128 LYS N N 117.083 0.000 1 1301 129 129 VAL H H 7.685 0.000 1 1302 129 129 VAL HA H 3.763 0.000 1 1303 129 129 VAL HB H 2.230 0.000 1 1304 129 129 VAL HG1 H 1.050 0.000 . 1305 129 129 VAL HG2 H 0.939 0.000 . 1306 129 129 VAL CA C 63.073 0.000 1 1307 129 129 VAL CB C 28.644 0.000 1 1308 129 129 VAL CG1 C 19.445 0.000 2 1309 129 129 VAL CG2 C 18.120 0.000 2 1310 129 129 VAL N N 119.512 0.000 1 1311 130 130 LEU H H 7.795 0.000 1 1312 130 130 LEU HA H 4.101 0.000 1 1313 130 130 LEU HB2 H 1.844 0.000 2 1314 130 130 LEU HB3 H 1.655 0.000 2 1315 130 130 LEU HG H 1.751 0.000 1 1316 130 130 LEU HD1 H 0.899 0.000 . 1317 130 130 LEU HD2 H 0.899 0.000 . 1318 130 130 LEU CA C 54.457 0.000 1 1319 130 130 LEU CB C 38.802 0.000 1 1320 130 130 LEU CG C 23.894 0.000 1 1321 130 130 LEU CD1 C 22.108 0.000 2 1322 130 130 LEU N N 120.658 0.000 1 1323 131 131 ALA H H 8.018 0.000 1 1324 131 131 ALA HA H 4.237 0.000 1 1325 131 131 ALA HB H 1.523 0.000 . 1326 131 131 ALA CA C 50.207 0.000 1 1327 131 131 ALA CB C 16.125 0.000 1 1328 131 131 ALA N N 120.271 0.000 1 1329 132 132 ASN H H 7.831 0.000 1 1330 132 132 ASN HA H 4.612 0.000 1 1331 132 132 ASN HB2 H 3.017 0.000 2 1332 132 132 ASN HB3 H 2.799 0.000 2 1333 132 132 ASN HD21 H 6.856 0.000 2 1334 132 132 ASN HD22 H 7.538 0.000 2 1335 132 132 ASN CA C 51.078 0.000 1 1336 132 132 ASN CB C 35.462 0.000 1 1337 132 132 ASN N N 115.024 0.000 1 1338 132 132 ASN ND2 N 112.374 0.000 1 1339 133 133 LEU H H 7.927 0.000 1 1340 133 133 LEU HA H 4.341 0.000 1 1341 133 133 LEU HB2 H 1.620 0.000 2 1342 133 133 LEU HB3 H 1.620 0.000 2 1343 133 133 LEU HG H 1.741 0.000 1 1344 133 133 LEU HD1 H 0.872 0.000 . 1345 133 133 LEU HD2 H 0.872 0.000 . 1346 133 133 LEU CA C 52.302 0.000 1 1347 133 133 LEU CB C 39.555 0.000 1 1348 133 133 LEU CG C 23.477 0.000 1 1349 133 133 LEU CD1 C 20.300 0.000 2 1350 133 133 LEU N N 119.337 0.000 1 1351 134 134 ALA H H 7.798 0.000 1 1352 134 134 ALA HA H 4.318 0.000 1 1353 134 134 ALA HB H 1.342 0.000 . 1354 134 134 ALA CA C 49.341 0.000 1 1355 134 134 ALA CB C 16.455 0.000 1 1356 134 134 ALA N N 123.399 0.000 1 1357 135 135 HIS H H 7.856 0.000 1 1358 135 135 HIS HA H 4.445 0.000 1 1359 135 135 HIS HB2 H 3.247 0.000 2 1360 135 135 HIS HB3 H 3.122 0.000 2 1361 135 135 HIS CA C 53.809 0.000 1 1362 135 135 HIS CB C 27.046 0.000 1 1363 135 135 HIS N N 122.339 0.000 1 stop_ save_