data_30074 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Molecular basis for protein recognition specificity of the DYNLT1/Tctex1 canonical binding groove. Characterization of the interaction with activin receptor IIB ; _BMRB_accession_number 30074 _BMRB_flat_file_name bmr30074.str _Entry_type original _Submission_date 2016-05-04 _Accession_date 2016-05-04 _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 Rodriguez-Crespo I. . . 2 Merino-Gracia J. . . 3 Bruix M. . . 4 Zamora-Carreras H. . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 2 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1356 "13C chemical shifts" 808 "15N chemical shifts" 268 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2016-11-09 update BMRB 'update entry citation' 2016-08-11 original author 'original release' stop_ _Original_release_date 2016-08-11 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Molecular basis for protein recognition specificity of the DYNLT1/Tctex1 canonical binding groove. Characterization of the interaction with activin receptor IIB ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 27502274 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Rodriguez-Crespo I. . . 2 Merino-Gracia J. . . 3 Bruix M. . . 4 Zamora-Carreras H. . . stop_ _Journal_abbreviation 'J. Biol. Chem.' _Journal_volume 291 _Journal_issue 40 _Journal_CSD 0353 _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 20962 _Page_last 20975 _Year 2016 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Dynein light chain Tctex-type 1' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'entity_1, chain 1' $entity_1 'entity_1, chain 2' $entity_1 stop_ _System_molecular_weight . _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_entity_1 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common 'Dynein light chain Tctex-type 1,Cytoplasmic dynein 1 intermediate chain 2' _Molecular_mass 15431.400 _Mol_thiol_state 'not reported' _Details ; Residues G1 to S2 correspond to the expression tag. Residues M3 to I115 correspond to the whole sequence of dynein light chain Tctex-type 1 (H. sapiens, UNIPROT entry P63172). Residues G116 to S122 correspond to a designed linker sequence. Residues G123 to V143 correspond to residues G134 to V154 of Cytoplasmic dynein 1 intermediate chain 2 (H. sapiens, UNIPROT entry Q13409) ; ############################## # Polymer residue sequence # ############################## _Residue_count 143 _Mol_residue_sequence ; GSMEDYQAAEETAFVVDEVS NIVKEAIESAIGGNAYQHSK VNQWTTNVVEQTLSQLTKLG KPFKYIVTCVIMQKNGAGLH TASSCFWDSSTDGSCTVRWE NKTMYCIVSAFGLSIGGGSG QSGPIKLGMAKITQVDFPPR EIV ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 SER 3 3 MET 4 4 GLU 5 5 ASP 6 6 TYR 7 7 GLN 8 8 ALA 9 9 ALA 10 10 GLU 11 11 GLU 12 12 THR 13 13 ALA 14 14 PHE 15 15 VAL 16 16 VAL 17 17 ASP 18 18 GLU 19 19 VAL 20 20 SER 21 21 ASN 22 22 ILE 23 23 VAL 24 24 LYS 25 25 GLU 26 26 ALA 27 27 ILE 28 28 GLU 29 29 SER 30 30 ALA 31 31 ILE 32 32 GLY 33 33 GLY 34 34 ASN 35 35 ALA 36 36 TYR 37 37 GLN 38 38 HIS 39 39 SER 40 40 LYS 41 41 VAL 42 42 ASN 43 43 GLN 44 44 TRP 45 45 THR 46 46 THR 47 47 ASN 48 48 VAL 49 49 VAL 50 50 GLU 51 51 GLN 52 52 THR 53 53 LEU 54 54 SER 55 55 GLN 56 56 LEU 57 57 THR 58 58 LYS 59 59 LEU 60 60 GLY 61 61 LYS 62 62 PRO 63 63 PHE 64 64 LYS 65 65 TYR 66 66 ILE 67 67 VAL 68 68 THR 69 69 CYS 70 70 VAL 71 71 ILE 72 72 MET 73 73 GLN 74 74 LYS 75 75 ASN 76 76 GLY 77 77 ALA 78 78 GLY 79 79 LEU 80 80 HIS 81 81 THR 82 82 ALA 83 83 SER 84 84 SER 85 85 CYS 86 86 PHE 87 87 TRP 88 88 ASP 89 89 SER 90 90 SER 91 91 THR 92 92 ASP 93 93 GLY 94 94 SER 95 95 CYS 96 96 THR 97 97 VAL 98 98 ARG 99 99 TRP 100 100 GLU 101 101 ASN 102 102 LYS 103 103 THR 104 104 MET 105 105 TYR 106 106 CYS 107 107 ILE 108 108 VAL 109 109 SER 110 110 ALA 111 111 PHE 112 112 GLY 113 113 LEU 114 114 SER 115 115 ILE 116 116 GLY 117 117 GLY 118 118 GLY 119 119 SER 120 120 GLY 121 121 GLN 122 122 SER 123 123 GLY 124 124 PRO 125 125 ILE 126 126 LYS 127 127 LEU 128 128 GLY 129 129 MET 130 130 ALA 131 131 LYS 132 132 ILE 133 133 THR 134 134 GLN 135 135 VAL 136 136 ASP 137 137 PHE 138 138 PRO 139 139 PRO 140 140 ARG 141 141 GLU 142 142 ILE 143 143 VAL stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Gene_mnemonic $entity_1 Human 9606 Eukaryota Metazoa Homo sapiens 'DYNLT1, TCTEL1, TCTEX-1, TCTEX1' 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_1 'recombinant technology' . Escherichia coli . . stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details '100 uM DYNLT1/Tctex1-DIC chimera, 100 mM potassium phosphate, 1 mM DTT, 50 uM DSS, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DSS 50 uM 'natural abundance' DTT 1 mM 'natural abundance' $entity_1 100 uM 'natural abundance' 'potassium phosphate' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_2 _Saveframe_category sample _Sample_type solution _Details '100 uM [U-99% 15N] DYNLT1/Tctex1-DIC chimera, 100 mM potassium phosphate, 1 mM DTT, 50 uM DSS, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DSS 50 uM 'natural abundance' DTT 1 mM 'natural abundance' $entity_1 100 uM '[U-99% 15N]' 'potassium phosphate' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_3 _Saveframe_category sample _Sample_type solution _Details '100 uM [U-99% 13C; U-99% 15N] DYNLT1/Tctex1-DIC chimera, 100 mM potassium phosphate, 1 mM DTT, 50 uM DSS, 90% H2O/10% D2O' loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling DSS 50 uM 'natural abundance' DTT 1 mM 'natural abundance' $entity_1 100 uM '[U-99% 13C; U-99% 15N]' 'potassium phosphate' 100 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Saveframe_category software _Name AMBER _Version . loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_software_2 _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure calculation' stop_ _Details . save_ save_software_3 _Saveframe_category software _Name SPARKY _Version . loop_ _Vendor _Address _Electronic_address Goddard . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' 'peak picking' stop_ _Details . save_ save_software_4 _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'With triple resonance z-gradient cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-1H_NOESY_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H NOESY' _Sample_label $sample_1 save_ save_2D_1H-15N_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_2 save_ save_2D_1H-13C_HSQC_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_3 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_3 save_ save_3D_HNCA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_3 save_ save_3D_HN(CO)CA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_3 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aliphatic_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_3 save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_3 save_ save_2D_1H-1H_TOCSY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-1H TOCSY' _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 pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.000 internal indirect . . . 0.25144953 DSS H 1 'methyl protons' ppm 0.000 internal direct . . . 1 DSS N 15 'methyl protons' ppm 0.000 internal indirect . . . 0.10132912 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_chemical_shifts_1_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_3 stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, chain 1' _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 GLY CA C 45.216 0.002 1 2 2 2 SER H H 8.229 0.002 1 3 2 2 SER CA C 58.516 0.046 1 4 2 2 SER CB C 63.991 0.026 1 5 2 2 SER N N 115.595 0.028 1 6 3 3 MET H H 8.563 0.003 1 7 3 3 MET HA H 4.401 0.012 1 8 3 3 MET HB2 H 1.951 0.004 2 9 3 3 MET HB3 H 2.038 0.001 2 10 3 3 MET HG2 H 2.469 0.005 2 11 3 3 MET HG3 H 2.545 0.005 2 12 3 3 MET CA C 56.091 0.024 1 13 3 3 MET CB C 32.280 0.004 1 14 3 3 MET CG C 31.978 0.000 1 15 3 3 MET N N 121.950 0.001 1 16 4 4 GLU H H 8.323 0.006 1 17 4 4 GLU HA H 4.132 0.011 1 18 4 4 GLU HB2 H 1.893 0.004 2 19 4 4 GLU HB3 H 1.975 0.006 2 20 4 4 GLU HG2 H 2.192 0.008 2 21 4 4 GLU HG3 H 2.192 0.008 2 22 4 4 GLU CA C 57.223 0.006 1 23 4 4 GLU CB C 29.703 0.006 1 24 4 4 GLU CG C 36.514 0.000 1 25 4 4 GLU N N 120.702 0.010 1 26 5 5 ASP H H 8.081 0.008 1 27 5 5 ASP HA H 4.455 0.009 1 28 5 5 ASP HB2 H 2.471 0.006 2 29 5 5 ASP HB3 H 2.556 0.008 2 30 5 5 ASP CA C 54.544 0.005 1 31 5 5 ASP CB C 40.913 0.003 1 32 5 5 ASP N N 120.565 0.087 1 33 6 6 TYR H H 7.914 0.006 1 34 6 6 TYR HA H 4.427 0.014 1 35 6 6 TYR HB2 H 2.910 0.008 2 36 6 6 TYR HB3 H 2.952 0.012 2 37 6 6 TYR HD1 H 7.088 0.011 1 38 6 6 TYR HD2 H 7.088 0.011 1 39 6 6 TYR HE1 H 6.849 0.034 1 40 6 6 TYR HE2 H 6.849 0.034 1 41 6 6 TYR CA C 58.290 0.039 1 42 6 6 TYR CB C 38.581 0.016 1 43 6 6 TYR CD1 C 133.082 0.025 1 44 6 6 TYR CE1 C 118.139 0.095 1 45 6 6 TYR N N 120.512 0.011 1 46 7 7 GLN H H 8.021 0.017 1 47 7 7 GLN HA H 4.153 0.010 1 48 7 7 GLN HB2 H 1.836 0.003 2 49 7 7 GLN HB3 H 1.934 0.003 2 50 7 7 GLN HG2 H 2.195 0.003 2 51 7 7 GLN HG3 H 2.195 0.003 2 52 7 7 GLN CA C 55.568 0.013 1 53 7 7 GLN CB C 29.380 0.011 1 54 7 7 GLN CG C 33.655 0.018 1 55 7 7 GLN N N 122.489 0.010 1 56 8 8 ALA H H 8.105 0.009 1 57 8 8 ALA HA H 4.150 0.008 1 58 8 8 ALA HB H 1.328 0.009 1 59 8 8 ALA CA C 52.531 0.021 1 60 8 8 ALA CB C 19.172 0.033 1 61 8 8 ALA N N 125.378 0.013 1 62 9 9 ALA H H 8.151 0.005 1 63 9 9 ALA HA H 4.206 0.013 1 64 9 9 ALA HB H 1.349 0.016 1 65 9 9 ALA CA C 52.690 0.057 1 66 9 9 ALA CB C 19.133 0.043 1 67 9 9 ALA N N 123.529 0.033 1 68 10 10 GLU H H 8.371 0.007 1 69 10 10 GLU HA H 4.712 0.013 1 70 10 10 GLU HB2 H 1.886 0.004 2 71 10 10 GLU HB3 H 1.962 0.012 2 72 10 10 GLU HG2 H 2.211 0.003 2 73 10 10 GLU HG3 H 2.211 0.003 2 74 10 10 GLU CA C 57.420 0.003 1 75 10 10 GLU CB C 29.895 0.003 1 76 10 10 GLU N N 119.820 0.092 1 77 11 11 GLU H H 8.371 0.006 1 78 11 11 GLU HA H 4.689 0.015 1 79 11 11 GLU HB2 H 1.975 0.002 2 80 11 11 GLU HB3 H 2.032 0.013 2 81 11 11 GLU HG2 H 2.212 0.004 2 82 11 11 GLU HG3 H 2.212 0.004 2 83 11 11 GLU CA C 57.481 0.006 1 84 11 11 GLU CB C 29.961 0.035 1 85 11 11 GLU CG C 36.518 0.004 1 86 11 11 GLU N N 119.997 0.006 1 87 12 12 THR H H 7.866 0.017 1 88 12 12 THR HA H 4.304 0.007 1 89 12 12 THR HB H 4.276 0.010 1 90 12 12 THR HG2 H 1.076 0.005 1 91 12 12 THR CA C 60.996 0.040 1 92 12 12 THR CB C 69.488 0.030 1 93 12 12 THR CG2 C 21.662 0.000 1 94 12 12 THR N N 110.500 0.002 1 95 13 13 ALA H H 7.713 0.006 1 96 13 13 ALA HA H 4.561 0.009 1 97 13 13 ALA HB H 1.311 0.003 1 98 13 13 ALA CA C 51.835 0.061 1 99 13 13 ALA CB C 20.491 0.046 1 100 13 13 ALA N N 124.206 0.015 1 101 14 14 PHE H H 8.738 0.007 1 102 14 14 PHE HA H 3.885 0.013 1 103 14 14 PHE HB2 H 2.345 0.009 2 104 14 14 PHE HB3 H 2.832 0.004 2 105 14 14 PHE HD1 H 6.654 0.011 1 106 14 14 PHE HD2 H 6.654 0.011 1 107 14 14 PHE CA C 57.978 0.024 1 108 14 14 PHE CB C 38.187 0.008 1 109 14 14 PHE N N 122.698 0.005 1 110 15 15 VAL H H 8.427 0.009 1 111 15 15 VAL HA H 4.061 0.013 1 112 15 15 VAL HB H 1.764 0.027 1 113 15 15 VAL HG1 H 0.731 0.009 2 114 15 15 VAL HG2 H 0.746 0.006 2 115 15 15 VAL CA C 61.627 0.007 1 116 15 15 VAL CB C 31.345 0.003 1 117 15 15 VAL CG1 C 20.304 0.000 1 118 15 15 VAL CG2 C 21.137 0.028 1 119 15 15 VAL N N 131.417 0.231 1 120 16 16 VAL H H 8.648 0.013 1 121 16 16 VAL HA H 3.184 0.010 1 122 16 16 VAL HB H 2.062 0.010 1 123 16 16 VAL HG1 H 1.009 0.003 2 124 16 16 VAL HG2 H 1.241 0.007 2 125 16 16 VAL CA C 67.617 0.038 1 126 16 16 VAL CB C 31.763 0.081 1 127 16 16 VAL CG1 C 21.134 0.005 1 128 16 16 VAL CG2 C 22.605 0.009 1 129 16 16 VAL N N 129.080 0.019 1 130 17 17 ASP H H 8.787 0.012 1 131 17 17 ASP HA H 4.250 0.010 1 132 17 17 ASP HB2 H 2.411 0.010 2 133 17 17 ASP HB3 H 2.493 0.014 2 134 17 17 ASP CA C 57.623 0.021 1 135 17 17 ASP CB C 40.218 0.034 1 136 17 17 ASP N N 118.704 0.013 1 137 18 18 GLU H H 6.604 0.010 1 138 18 18 GLU HA H 3.979 0.010 1 139 18 18 GLU HB2 H 1.887 0.003 2 140 18 18 GLU HB3 H 1.971 0.017 2 141 18 18 GLU HG2 H 1.951 0.018 2 142 18 18 GLU HG3 H 1.951 0.018 2 143 18 18 GLU CA C 58.106 0.017 1 144 18 18 GLU CB C 30.248 0.044 1 145 18 18 GLU CG C 36.410 0.005 1 146 18 18 GLU N N 118.212 0.031 1 147 19 19 VAL H H 7.375 0.012 1 148 19 19 VAL HA H 3.178 0.018 1 149 19 19 VAL HB H 1.626 0.004 1 150 19 19 VAL HG1 H 0.101 0.007 2 151 19 19 VAL HG2 H 0.617 0.011 2 152 19 19 VAL CA C 66.491 0.034 1 153 19 19 VAL CB C 31.181 0.059 1 154 19 19 VAL CG1 C 21.089 0.023 1 155 19 19 VAL CG2 C 21.751 0.001 1 156 19 19 VAL N N 120.306 0.019 1 157 20 20 SER H H 8.881 0.007 1 158 20 20 SER HA H 3.857 0.012 1 159 20 20 SER HB2 H 3.783 0.009 2 160 20 20 SER HB3 H 3.783 0.009 2 161 20 20 SER CA C 62.098 0.003 1 162 20 20 SER CB C 62.750 0.004 1 163 20 20 SER N N 115.603 0.010 1 164 21 21 ASN H H 7.465 0.011 1 165 21 21 ASN HA H 4.361 0.009 1 166 21 21 ASN HB2 H 2.746 0.011 2 167 21 21 ASN HB3 H 2.746 0.011 2 168 21 21 ASN CA C 56.603 0.004 1 169 21 21 ASN CB C 38.135 0.002 1 170 21 21 ASN N N 118.310 0.009 1 171 22 22 ILE H H 7.170 0.009 1 172 22 22 ILE HA H 3.534 0.012 1 173 22 22 ILE HB H 1.859 0.009 1 174 22 22 ILE HG12 H 0.889 0.009 2 175 22 22 ILE HG13 H 1.698 0.006 2 176 22 22 ILE HG2 H 0.773 0.006 1 177 22 22 ILE HD1 H 0.566 0.005 1 178 22 22 ILE CA C 65.363 0.052 1 179 22 22 ILE CB C 38.649 0.035 1 180 22 22 ILE CG1 C 29.826 0.035 1 181 22 22 ILE CG2 C 17.784 0.056 1 182 22 22 ILE CD1 C 14.302 0.027 1 183 22 22 ILE N N 121.294 0.017 1 184 23 23 VAL H H 8.223 0.010 1 185 23 23 VAL HA H 3.396 0.008 1 186 23 23 VAL HB H 2.017 0.004 1 187 23 23 VAL HG1 H 0.649 0.002 2 188 23 23 VAL HG2 H 0.732 0.021 2 189 23 23 VAL CA C 66.371 0.158 1 190 23 23 VAL CB C 31.457 0.007 1 191 23 23 VAL CG1 C 22.349 0.004 1 192 23 23 VAL CG2 C 22.972 0.006 1 193 23 23 VAL N N 120.404 0.009 1 194 24 24 LYS H H 8.447 0.013 1 195 24 24 LYS HA H 3.585 0.006 1 196 24 24 LYS HB2 H 1.833 0.005 2 197 24 24 LYS HB3 H 1.884 0.003 2 198 24 24 LYS HG2 H 1.368 0.005 2 199 24 24 LYS HG3 H 1.582 0.002 2 200 24 24 LYS HD2 H 1.671 0.005 2 201 24 24 LYS HD3 H 1.671 0.005 2 202 24 24 LYS HE2 H 2.916 0.002 2 203 24 24 LYS HE3 H 2.916 0.002 2 204 24 24 LYS CA C 60.848 0.011 1 205 24 24 LYS CB C 32.480 0.028 1 206 24 24 LYS CG C 26.503 0.007 1 207 24 24 LYS CD C 29.702 0.023 1 208 24 24 LYS CE C 42.212 0.008 1 209 24 24 LYS N N 118.400 0.000 1 210 25 25 GLU H H 7.734 0.006 1 211 25 25 GLU HA H 3.874 0.008 1 212 25 25 GLU HB2 H 1.894 0.007 2 213 25 25 GLU HB3 H 1.960 0.002 2 214 25 25 GLU HG2 H 2.068 0.007 2 215 25 25 GLU HG3 H 2.264 0.002 2 216 25 25 GLU CA C 59.153 0.025 1 217 25 25 GLU CB C 28.760 0.064 1 218 25 25 GLU CG C 36.534 0.002 1 219 25 25 GLU N N 117.300 0.001 1 220 26 26 ALA H H 7.900 0.008 1 221 26 26 ALA HA H 3.877 0.012 1 222 26 26 ALA HB H 1.325 0.007 1 223 26 26 ALA CA C 55.149 0.064 1 224 26 26 ALA CB C 18.581 0.041 1 225 26 26 ALA N N 123.785 0.065 1 226 27 27 ILE H H 8.093 0.013 1 227 27 27 ILE HA H 2.981 0.010 1 228 27 27 ILE HB H 1.126 0.009 1 229 27 27 ILE HG12 H 0.333 0.002 2 230 27 27 ILE HG13 H 1.619 0.004 2 231 27 27 ILE HG2 H -0.801 0.007 1 232 27 27 ILE HD1 H 0.385 0.008 1 233 27 27 ILE CA C 65.948 0.036 1 234 27 27 ILE CB C 39.039 0.024 1 235 27 27 ILE CG1 C 28.509 0.010 1 236 27 27 ILE CG2 C 15.045 0.017 1 237 27 27 ILE CD1 C 14.758 0.181 1 238 27 27 ILE N N 118.299 0.080 1 239 28 28 GLU H H 7.839 0.008 1 240 28 28 GLU HA H 3.452 0.011 1 241 28 28 GLU HB2 H 1.881 0.002 2 242 28 28 GLU HB3 H 1.922 0.002 2 243 28 28 GLU HG2 H 2.060 0.020 2 244 28 28 GLU HG3 H 2.267 0.002 2 245 28 28 GLU CA C 59.407 0.015 1 246 28 28 GLU CB C 28.717 0.051 1 247 28 28 GLU CG C 36.084 0.025 1 248 28 28 GLU N N 117.899 0.004 1 249 29 29 SER H H 8.034 0.010 1 250 29 29 SER HA H 3.950 0.007 1 251 29 29 SER HB2 H 3.795 0.002 2 252 29 29 SER HB3 H 3.795 0.002 2 253 29 29 SER CA C 60.842 0.014 1 254 29 29 SER CB C 63.090 0.008 1 255 29 29 SER N N 112.399 0.003 1 256 30 30 ALA H H 7.457 0.010 1 257 30 30 ALA HA H 4.083 0.008 1 258 30 30 ALA HB H 1.190 0.010 1 259 30 30 ALA CA C 54.053 0.036 1 260 30 30 ALA CB C 20.687 0.019 1 261 30 30 ALA N N 121.292 0.018 1 262 31 31 ILE H H 7.657 0.010 1 263 31 31 ILE HA H 3.020 0.008 1 264 31 31 ILE HB H 1.228 0.011 1 265 31 31 ILE HG12 H 0.187 0.007 2 266 31 31 ILE HG13 H 0.561 0.007 2 267 31 31 ILE HG2 H 0.159 0.002 1 268 31 31 ILE HD1 H 0.224 0.006 1 269 31 31 ILE CA C 61.792 0.039 1 270 31 31 ILE CB C 39.252 0.071 1 271 31 31 ILE CG1 C 26.322 0.012 1 272 31 31 ILE CG2 C 18.792 0.011 1 273 31 31 ILE CD1 C 13.974 0.021 1 274 31 31 ILE N N 110.000 0.001 1 275 32 32 GLY H H 7.334 0.008 1 276 32 32 GLY HA2 H 3.805 0.006 2 277 32 32 GLY HA3 H 3.805 0.006 2 278 32 32 GLY CA C 47.499 0.016 1 279 32 32 GLY N N 108.601 0.002 1 280 33 33 GLY H H 8.865 0.052 1 281 33 33 GLY HA2 H 3.975 0.012 2 282 33 33 GLY HA3 H 3.975 0.012 2 283 33 33 GLY CA C 45.058 0.022 1 284 33 33 GLY N N 112.801 0.004 1 285 34 34 ASN H H 7.597 0.010 1 286 34 34 ASN HA H 4.545 0.012 1 287 34 34 ASN HB2 H 2.009 0.006 2 288 34 34 ASN HB3 H 2.303 0.008 2 289 34 34 ASN CA C 53.272 0.046 1 290 34 34 ASN CB C 40.703 0.008 1 291 34 34 ASN N N 118.507 0.025 1 292 35 35 ALA H H 8.240 0.005 1 293 35 35 ALA HA H 4.577 0.009 1 294 35 35 ALA HB H 1.403 0.009 1 295 35 35 ALA CA C 49.906 0.067 1 296 35 35 ALA CB C 20.169 0.008 1 297 35 35 ALA N N 121.309 0.015 1 298 36 36 TYR H H 8.687 0.014 1 299 36 36 TYR HA H 4.050 0.009 1 300 36 36 TYR HB2 H 2.887 0.015 2 301 36 36 TYR HB3 H 3.022 0.014 2 302 36 36 TYR CA C 62.433 0.044 1 303 36 36 TYR CB C 38.698 0.018 1 304 36 36 TYR N N 121.045 0.035 1 305 37 37 GLN H H 5.502 0.013 1 306 37 37 GLN HA H 4.232 0.007 1 307 37 37 GLN HB2 H 1.546 0.002 2 308 37 37 GLN HB3 H 1.773 0.002 2 309 37 37 GLN HG2 H 2.256 0.002 2 310 37 37 GLN HG3 H 2.348 0.001 2 311 37 37 GLN CA C 54.825 0.005 1 312 37 37 GLN CB C 31.901 0.002 1 313 37 37 GLN CG C 33.820 0.003 1 314 37 37 GLN N N 125.686 0.031 1 315 38 38 HIS H H 8.371 0.000 1 316 38 38 HIS N N 122.101 0.000 1 317 39 39 SER HA H 3.806 0.006 1 318 39 39 SER HB2 H 3.558 0.005 2 319 39 39 SER HB3 H 3.691 0.007 2 320 39 39 SER CA C 59.797 0.011 1 321 39 39 SER CB C 62.507 0.085 1 322 40 40 LYS H H 6.530 0.021 1 323 40 40 LYS HA H 3.949 0.012 1 324 40 40 LYS HB2 H 1.734 0.003 2 325 40 40 LYS HB3 H 1.734 0.003 2 326 40 40 LYS HG2 H 0.878 0.004 2 327 40 40 LYS HG3 H 0.878 0.004 2 328 40 40 LYS HD2 H 1.347 0.004 2 329 40 40 LYS HD3 H 1.487 0.003 2 330 40 40 LYS HE2 H 2.791 0.004 2 331 40 40 LYS HE3 H 2.791 0.004 2 332 40 40 LYS CA C 55.415 0.005 1 333 40 40 LYS CB C 34.043 0.005 1 334 40 40 LYS CG C 24.750 0.005 1 335 40 40 LYS CD C 28.781 0.002 1 336 40 40 LYS CE C 42.271 0.003 1 337 40 40 LYS N N 117.996 0.012 1 338 41 41 VAL H H 6.430 0.010 1 339 41 41 VAL HA H 3.117 0.012 1 340 41 41 VAL HB H 1.105 0.009 1 341 41 41 VAL HG1 H 0.811 0.010 2 342 41 41 VAL HG2 H 0.037 0.011 2 343 41 41 VAL CA C 64.678 0.033 1 344 41 41 VAL CB C 30.501 0.008 1 345 41 41 VAL CG1 C 22.211 0.015 1 346 41 41 VAL CG2 C 18.322 0.040 1 347 41 41 VAL N N 117.680 0.038 1 348 42 42 ASN H H 7.835 0.008 1 349 42 42 ASN HA H 4.430 0.009 1 350 42 42 ASN HB2 H 2.455 0.005 2 351 42 42 ASN HB3 H 2.515 0.012 2 352 42 42 ASN CA C 55.696 0.008 1 353 42 42 ASN CB C 37.472 0.009 1 354 42 42 ASN N N 118.200 0.088 1 355 43 43 GLN H H 7.423 0.009 1 356 43 43 GLN HA H 4.000 0.006 1 357 43 43 GLN HB2 H 1.948 0.004 2 358 43 43 GLN HB3 H 1.948 0.004 2 359 43 43 GLN CA C 57.807 0.005 1 360 43 43 GLN CB C 27.460 0.001 1 361 43 43 GLN N N 120.008 0.018 1 362 44 44 TRP H H 7.398 0.006 1 363 44 44 TRP HA H 4.458 0.006 1 364 44 44 TRP HB2 H 2.691 0.012 2 365 44 44 TRP HB3 H 3.359 0.013 2 366 44 44 TRP HD1 H 7.117 0.001 1 367 44 44 TRP HE1 H 9.989 0.008 1 368 44 44 TRP HE3 H 6.844 0.000 1 369 44 44 TRP HZ2 H 7.169 0.002 1 370 44 44 TRP HZ3 H 6.923 0.002 1 371 44 44 TRP HH2 H 7.433 0.009 1 372 44 44 TRP CA C 58.520 0.006 1 373 44 44 TRP CB C 28.481 0.035 1 374 44 44 TRP CZ2 C 114.607 0.012 1 375 44 44 TRP CZ3 C 124.809 0.015 1 376 44 44 TRP CH2 C 123.796 0.007 1 377 44 44 TRP NE1 N 128.759 0.043 1 378 45 45 THR H H 8.485 0.011 1 379 45 45 THR HA H 3.835 0.010 1 380 45 45 THR HB H 3.961 0.011 1 381 45 45 THR HG2 H 1.223 0.006 1 382 45 45 THR CA C 65.389 0.078 1 383 45 45 THR CB C 67.304 0.012 1 384 45 45 THR CG2 C 23.069 0.017 1 385 45 45 THR N N 109.998 0.008 1 386 46 46 THR H H 7.076 0.015 1 387 46 46 THR HA H 3.486 0.011 1 388 46 46 THR HB H 4.135 0.011 1 389 46 46 THR HG2 H 1.096 0.009 1 390 46 46 THR CA C 67.060 0.025 1 391 46 46 THR CB C 68.649 0.025 1 392 46 46 THR CG2 C 21.604 0.008 1 393 46 46 THR N N 117.101 0.002 1 394 47 47 ASN H H 8.316 0.005 1 395 47 47 ASN HA H 4.426 0.009 1 396 47 47 ASN HB2 H 2.778 0.017 2 397 47 47 ASN HB3 H 2.937 0.010 2 398 47 47 ASN CA C 56.117 0.013 1 399 47 47 ASN CB C 38.293 0.006 1 400 47 47 ASN N N 120.378 0.022 1 401 48 48 VAL H H 8.334 0.010 1 402 48 48 VAL HA H 3.209 0.011 1 403 48 48 VAL HB H 2.046 0.020 1 404 48 48 VAL HG1 H 0.554 0.004 2 405 48 48 VAL HG2 H 0.767 0.020 2 406 48 48 VAL CA C 67.338 0.022 1 407 48 48 VAL CB C 31.695 0.006 1 408 48 48 VAL CG1 C 21.999 0.004 1 409 48 48 VAL CG2 C 23.251 0.023 1 410 48 48 VAL N N 119.914 0.023 1 411 49 49 VAL H H 7.586 0.012 1 412 49 49 VAL HA H 3.203 0.014 1 413 49 49 VAL HB H 2.009 0.003 1 414 49 49 VAL HG1 H 0.638 0.011 2 415 49 49 VAL HG2 H 0.738 0.001 2 416 49 49 VAL CA C 67.255 0.014 1 417 49 49 VAL CB C 31.679 0.000 1 418 49 49 VAL CG1 C 21.150 0.002 1 419 49 49 VAL CG2 C 23.283 0.007 1 420 49 49 VAL N N 120.000 0.097 1 421 50 50 GLU H H 8.891 0.005 1 422 50 50 GLU HA H 4.436 0.004 1 423 50 50 GLU CA C 60.365 0.007 1 424 50 50 GLU CB C 29.819 0.008 1 425 50 50 GLU N N 118.710 0.030 1 426 51 51 GLN H H 8.559 0.010 1 427 51 51 GLN HA H 3.967 0.006 1 428 51 51 GLN HB2 H 1.848 0.006 2 429 51 51 GLN HB3 H 2.102 0.002 2 430 51 51 GLN HG2 H 2.281 0.002 2 431 51 51 GLN HG3 H 2.315 0.004 2 432 51 51 GLN CA C 59.086 0.006 1 433 51 51 GLN CB C 28.152 0.002 1 434 51 51 GLN CG C 34.011 0.001 1 435 51 51 GLN N N 119.000 0.000 1 436 52 52 THR H H 7.711 0.012 1 437 52 52 THR HA H 3.337 0.008 1 438 52 52 THR HB H 3.851 0.162 1 439 52 52 THR HG2 H 0.783 0.007 1 440 52 52 THR CA C 68.064 0.032 1 441 52 52 THR CB C 68.078 0.038 1 442 52 52 THR CG2 C 22.950 0.022 1 443 52 52 THR N N 115.406 0.012 1 444 53 53 LEU H H 8.088 0.009 1 445 53 53 LEU HA H 3.567 0.007 1 446 53 53 LEU HB2 H 1.119 0.004 2 447 53 53 LEU HB3 H 1.799 0.012 2 448 53 53 LEU HG H 0.655 0.003 1 449 53 53 LEU HD1 H 0.644 0.003 2 450 53 53 LEU HD2 H 0.644 0.003 2 451 53 53 LEU CA C 58.518 0.022 1 452 53 53 LEU CB C 42.223 0.059 1 453 53 53 LEU CG C 26.644 0.008 1 454 53 53 LEU CD1 C 25.128 0.031 1 455 53 53 LEU N N 119.013 0.016 1 456 54 54 SER H H 8.250 0.006 1 457 54 54 SER HA H 4.018 0.009 1 458 54 54 SER CA C 61.723 0.011 1 459 54 54 SER CB C 62.447 0.010 1 460 54 54 SER N N 114.299 0.003 1 461 55 55 GLN H H 7.875 0.013 1 462 55 55 GLN HA H 3.875 0.010 1 463 55 55 GLN HB2 H 1.808 0.002 2 464 55 55 GLN HB3 H 1.992 0.001 2 465 55 55 GLN HG2 H 2.323 0.003 2 466 55 55 GLN HG3 H 2.505 0.003 2 467 55 55 GLN CA C 58.328 0.005 1 468 55 55 GLN CB C 29.193 0.003 1 469 55 55 GLN CG C 33.851 0.002 1 470 55 55 GLN N N 118.442 0.145 1 471 56 56 LEU H H 8.259 0.007 1 472 56 56 LEU HA H 3.667 0.016 1 473 56 56 LEU HB2 H -0.229 0.004 2 474 56 56 LEU HB3 H 1.128 0.006 2 475 56 56 LEU HG H 0.109 0.005 1 476 56 56 LEU HD1 H 0.101 0.004 2 477 56 56 LEU HD2 H 0.338 0.006 2 478 56 56 LEU CA C 57.531 0.038 1 479 56 56 LEU CB C 39.881 0.015 1 480 56 56 LEU CG C 25.632 0.018 1 481 56 56 LEU CD1 C 25.469 0.000 1 482 56 56 LEU CD2 C 23.216 0.022 1 483 56 56 LEU N N 119.587 0.020 1 484 57 57 THR H H 7.962 0.010 1 485 57 57 THR HA H 3.885 0.007 1 486 57 57 THR HB H 3.748 0.010 1 487 57 57 THR HG2 H 0.366 0.006 1 488 57 57 THR CA C 65.352 0.019 1 489 57 57 THR CB C 68.888 0.023 1 490 57 57 THR CG2 C 20.546 0.004 1 491 57 57 THR N N 110.745 0.047 1 492 58 58 LYS H H 7.177 0.010 1 493 58 58 LYS HA H 3.999 0.010 1 494 58 58 LYS HB2 H 1.725 0.002 2 495 58 58 LYS HB3 H 1.854 0.002 2 496 58 58 LYS HG2 H 1.343 0.002 2 497 58 58 LYS HG3 H 1.509 0.002 2 498 58 58 LYS HD2 H 1.453 0.002 2 499 58 58 LYS HD3 H 1.525 0.002 2 500 58 58 LYS HE2 H 2.802 0.005 2 501 58 58 LYS HE3 H 2.922 0.004 2 502 58 58 LYS CA C 58.001 0.006 1 503 58 58 LYS CB C 32.323 0.031 1 504 58 58 LYS CG C 25.500 0.002 1 505 58 58 LYS CD C 29.160 0.002 1 506 58 58 LYS CE C 42.159 0.002 1 507 58 58 LYS N N 121.897 0.012 1 508 59 59 LEU H H 7.276 0.018 1 509 59 59 LEU HA H 4.047 0.011 1 510 59 59 LEU HB2 H 1.267 0.005 2 511 59 59 LEU HB3 H 2.003 0.006 2 512 59 59 LEU HG H 1.841 0.006 1 513 59 59 LEU HD1 H 0.666 0.010 2 514 59 59 LEU HD2 H 0.669 0.009 2 515 59 59 LEU CA C 56.516 0.021 1 516 59 59 LEU CB C 41.814 0.014 1 517 59 59 LEU CG C 26.045 0.003 1 518 59 59 LEU CD1 C 21.800 0.008 1 519 59 59 LEU CD2 C 25.501 0.018 1 520 59 59 LEU N N 116.504 0.014 1 521 60 60 GLY H H 7.587 0.010 1 522 60 60 GLY HA2 H 3.875 0.014 2 523 60 60 GLY HA3 H 3.875 0.014 2 524 60 60 GLY CA C 46.663 0.042 1 525 60 60 GLY N N 103.900 0.001 1 526 61 61 LYS H H 8.256 0.008 1 527 61 61 LYS CA C 54.203 0.000 1 528 61 61 LYS CB C 32.633 0.000 1 529 61 61 LYS N N 119.837 0.044 1 530 62 62 PRO HA H 4.336 0.006 1 531 62 62 PRO HB2 H 1.747 0.001 2 532 62 62 PRO HB3 H 2.161 0.001 2 533 62 62 PRO HG2 H 1.905 0.001 2 534 62 62 PRO HG3 H 1.905 0.001 2 535 62 62 PRO HD2 H 3.502 0.005 2 536 62 62 PRO HD3 H 3.502 0.005 2 537 62 62 PRO CA C 62.639 0.008 1 538 62 62 PRO CB C 32.148 0.001 1 539 62 62 PRO CG C 27.169 0.003 1 540 62 62 PRO CD C 49.780 0.004 1 541 63 63 PHE H H 8.086 0.007 1 542 63 63 PHE HA H 4.711 0.032 1 543 63 63 PHE HB2 H 1.931 0.002 2 544 63 63 PHE HB3 H 2.177 0.001 2 545 63 63 PHE HD1 H 6.676 0.004 1 546 63 63 PHE HD2 H 6.676 0.004 1 547 63 63 PHE CA C 57.697 0.020 1 548 63 63 PHE CB C 42.821 0.002 1 549 63 63 PHE CD1 C 132.023 0.000 1 550 63 63 PHE N N 124.100 0.001 1 551 64 64 LYS H H 8.642 0.010 1 552 64 64 LYS HA H 4.631 0.000 1 553 64 64 LYS CA C 55.933 0.001 1 554 64 64 LYS N N 116.605 0.024 1 555 65 65 TYR H H 8.896 0.010 1 556 65 65 TYR HA H 6.286 0.016 1 557 65 65 TYR HB2 H 2.448 0.009 2 558 65 65 TYR HB3 H 2.795 0.007 2 559 65 65 TYR CA C 56.638 0.073 1 560 65 65 TYR CB C 44.652 0.008 1 561 65 65 TYR N N 115.600 0.001 1 562 66 66 ILE H H 8.749 0.012 1 563 66 66 ILE HA H 4.401 0.008 1 564 66 66 ILE HB H 1.387 0.005 1 565 66 66 ILE HG12 H 0.892 0.004 2 566 66 66 ILE HG13 H 1.207 0.002 2 567 66 66 ILE HG2 H -0.278 0.004 1 568 66 66 ILE HD1 H 0.560 0.006 1 569 66 66 ILE CA C 60.749 0.032 1 570 66 66 ILE CB C 41.979 0.014 1 571 66 66 ILE CG1 C 28.031 0.009 1 572 66 66 ILE CG2 C 16.581 0.028 1 573 66 66 ILE CD1 C 15.545 0.491 1 574 66 66 ILE N N 121.323 0.027 1 575 67 67 VAL H H 8.397 0.007 1 576 67 67 VAL HA H 5.258 0.010 1 577 67 67 VAL HB H 1.597 0.009 1 578 67 67 VAL HG1 H 0.710 0.005 2 579 67 67 VAL HG2 H 0.780 0.001 2 580 67 67 VAL CA C 60.526 0.021 1 581 67 67 VAL CB C 35.976 0.035 1 582 67 67 VAL CG1 C 21.543 0.007 1 583 67 67 VAL CG2 C 22.515 0.002 1 584 67 67 VAL N N 125.399 0.016 1 585 68 68 THR H H 9.103 0.012 1 586 68 68 THR HA H 5.175 0.011 1 587 68 68 THR HB H 4.281 0.011 1 588 68 68 THR HG2 H 1.144 0.004 1 589 68 68 THR CA C 59.125 0.066 1 590 68 68 THR CB C 71.016 0.071 1 591 68 68 THR CG2 C 20.989 0.012 1 592 68 68 THR N N 116.302 0.008 1 593 69 69 CYS H H 9.162 0.084 1 594 69 69 CYS HA H 5.173 0.010 1 595 69 69 CYS HB2 H 2.580 0.104 2 596 69 69 CYS HB3 H 2.797 0.051 2 597 69 69 CYS CA C 57.261 0.055 1 598 69 69 CYS CB C 30.475 0.149 1 599 69 69 CYS N N 122.348 0.059 1 600 70 70 VAL H H 8.965 0.008 1 601 70 70 VAL HA H 4.882 0.015 1 602 70 70 VAL HB H 2.125 0.024 1 603 70 70 VAL HG1 H 0.898 0.002 2 604 70 70 VAL HG2 H 1.004 0.012 2 605 70 70 VAL CA C 60.733 0.053 1 606 70 70 VAL CB C 35.229 0.022 1 607 70 70 VAL CG1 C 21.439 0.009 1 608 70 70 VAL CG2 C 21.439 0.009 1 609 70 70 VAL N N 130.904 0.011 1 610 71 71 ILE H H 9.613 0.008 1 611 71 71 ILE HA H 5.185 0.009 1 612 71 71 ILE HB H 1.559 0.010 1 613 71 71 ILE HG12 H 0.987 0.004 2 614 71 71 ILE HG13 H 1.692 0.002 2 615 71 71 ILE HG2 H 1.020 0.003 1 616 71 71 ILE HD1 H 0.855 0.010 1 617 71 71 ILE CA C 61.064 0.033 1 618 71 71 ILE CB C 41.823 0.032 1 619 71 71 ILE CG1 C 29.204 0.011 1 620 71 71 ILE CG2 C 17.817 0.026 1 621 71 71 ILE CD1 C 14.021 0.028 1 622 71 71 ILE N N 125.698 0.004 1 623 72 72 MET H H 8.807 0.003 1 624 72 72 MET HA H 5.327 0.005 1 625 72 72 MET CA C 53.131 0.013 1 626 72 72 MET CB C 31.704 0.005 1 627 72 72 MET CG C 31.543 0.000 1 628 72 72 MET CE C 18.280 0.000 1 629 72 72 MET N N 126.397 0.007 1 630 73 73 GLN H H 8.272 0.003 1 631 73 73 GLN HA H 3.941 0.006 1 632 73 73 GLN HB2 H 1.847 0.001 2 633 73 73 GLN HB3 H 1.923 0.001 2 634 73 73 GLN HG2 H 2.209 0.003 2 635 73 73 GLN HG3 H 2.209 0.003 2 636 73 73 GLN CA C 55.677 0.054 1 637 73 73 GLN CB C 28.737 0.019 1 638 73 73 GLN CG C 34.039 0.002 1 639 73 73 GLN N N 127.607 0.025 1 640 74 74 LYS H H 8.067 0.006 1 641 74 74 LYS HA H 4.250 0.000 1 642 74 74 LYS CA C 57.002 0.002 1 643 74 74 LYS CB C 33.821 0.000 1 644 74 74 LYS N N 127.268 0.044 1 645 75 75 ASN H H 8.053 0.000 1 646 75 75 ASN HA H 4.473 0.008 1 647 75 75 ASN HB2 H 2.462 0.017 2 648 75 75 ASN HB3 H 2.548 0.015 2 649 75 75 ASN CA C 53.989 0.010 1 650 75 75 ASN CB C 41.190 0.001 1 651 76 76 GLY H H 7.979 0.006 1 652 76 76 GLY HA2 H 3.582 0.004 2 653 76 76 GLY HA3 H 3.582 0.004 2 654 76 76 GLY CA C 45.310 0.010 1 655 76 76 GLY N N 105.197 0.006 1 656 77 77 ALA H H 7.669 0.008 1 657 77 77 ALA HA H 4.290 0.009 1 658 77 77 ALA HB H 1.459 0.006 1 659 77 77 ALA CA C 52.040 0.043 1 660 77 77 ALA CB C 19.532 0.007 1 661 77 77 ALA N N 123.500 0.001 1 662 78 78 GLY H H 8.425 0.005 1 663 78 78 GLY HA2 H 3.827 0.005 2 664 78 78 GLY HA3 H 3.827 0.005 2 665 78 78 GLY CA C 45.041 0.017 1 666 78 78 GLY N N 109.300 0.000 1 667 79 79 LEU HA H 4.924 0.014 1 668 79 79 LEU HB2 H 1.453 0.010 2 669 79 79 LEU HB3 H 1.917 0.002 2 670 79 79 LEU HD1 H 0.752 0.003 2 671 79 79 LEU HD2 H 0.899 0.004 2 672 79 79 LEU CA C 54.264 0.060 1 673 79 79 LEU CB C 44.995 0.008 1 674 79 79 LEU CG C 27.924 0.041 1 675 79 79 LEU CD1 C 26.023 0.038 1 676 79 79 LEU CD2 C 23.244 0.032 1 677 80 80 HIS H H 8.764 0.002 1 678 80 80 HIS CA C 59.357 0.000 1 679 80 80 HIS N N 124.868 0.043 1 680 81 81 THR H H 8.847 0.542 1 681 81 81 THR HA H 5.935 0.011 1 682 81 81 THR HB H 4.276 0.005 1 683 81 81 THR HG2 H 1.104 0.014 1 684 81 81 THR CA C 59.448 0.033 1 685 81 81 THR CB C 71.886 0.083 1 686 81 81 THR CG2 C 22.348 0.009 1 687 81 81 THR N N 113.256 0.867 1 688 82 82 ALA H H 9.006 0.015 1 689 82 82 ALA HA H 5.563 0.009 1 690 82 82 ALA HB H 1.248 0.006 1 691 82 82 ALA CA C 51.249 0.054 1 692 82 82 ALA CB C 22.716 0.014 1 693 82 82 ALA N N 122.627 0.163 1 694 83 83 SER H H 8.630 0.024 1 695 83 83 SER HA H 5.458 0.011 1 696 83 83 SER HB2 H 3.863 0.007 2 697 83 83 SER HB3 H 3.980 0.013 2 698 83 83 SER CA C 57.062 0.023 1 699 83 83 SER CB C 67.000 0.001 1 700 83 83 SER N N 112.176 0.142 1 701 84 84 SER H H 8.523 0.011 1 702 84 84 SER HA H 4.332 0.012 1 703 84 84 SER HB2 H 3.044 0.003 2 704 84 84 SER HB3 H 4.023 0.005 2 705 84 84 SER CA C 56.853 0.019 1 706 84 84 SER CB C 63.176 0.004 1 707 84 84 SER N N 111.500 0.000 1 708 85 85 CYS H H 7.801 0.006 1 709 85 85 CYS HA H 5.271 0.010 1 710 85 85 CYS HB2 H 2.123 0.008 2 711 85 85 CYS HB3 H 2.830 0.005 2 712 85 85 CYS CA C 54.392 0.116 1 713 85 85 CYS CB C 33.183 0.025 1 714 85 85 CYS N N 115.201 0.003 1 715 86 86 PHE H H 9.337 0.008 1 716 86 86 PHE HA H 5.209 0.009 1 717 86 86 PHE HB2 H 2.939 0.004 2 718 86 86 PHE HB3 H 3.146 0.021 2 719 86 86 PHE CA C 57.497 0.027 1 720 86 86 PHE CB C 41.402 0.005 1 721 86 86 PHE N N 124.294 0.020 1 722 87 87 TRP H H 8.987 0.013 1 723 87 87 TRP HA H 5.348 0.011 1 724 87 87 TRP HB2 H 2.844 0.002 2 725 87 87 TRP HB3 H 3.221 0.001 2 726 87 87 TRP HD1 H 7.393 0.000 1 727 87 87 TRP HE1 H 10.017 0.014 1 728 87 87 TRP HZ2 H 7.437 0.005 1 729 87 87 TRP HZ3 H 7.016 0.003 1 730 87 87 TRP HH2 H 7.014 0.008 1 731 87 87 TRP CA C 54.516 0.007 1 732 87 87 TRP CB C 31.542 0.002 1 733 87 87 TRP CZ2 C 114.590 0.017 1 734 87 87 TRP CZ3 C 124.085 0.021 1 735 87 87 TRP CH2 C 122.397 0.006 1 736 87 87 TRP N N 122.505 0.012 1 737 87 87 TRP NE1 N 127.605 0.034 1 738 88 88 ASP H H 8.577 0.005 1 739 88 88 ASP HA H 4.998 0.005 1 740 88 88 ASP HB2 H 1.923 0.006 2 741 88 88 ASP HB3 H 2.930 0.010 2 742 88 88 ASP CA C 52.307 0.094 1 743 88 88 ASP CB C 41.355 0.047 1 744 88 88 ASP N N 119.500 0.001 1 745 89 89 SER H H 8.700 0.008 1 746 89 89 SER HA H 4.693 0.010 1 747 89 89 SER HB2 H 3.591 0.009 2 748 89 89 SER HB3 H 3.970 0.000 2 749 89 89 SER CA C 60.399 0.034 1 750 89 89 SER CB C 63.253 0.006 1 751 89 89 SER N N 121.024 0.041 1 752 90 90 SER H H 8.644 0.007 1 753 90 90 SER HA H 4.315 0.008 1 754 90 90 SER HB2 H 3.899 0.005 2 755 90 90 SER HB3 H 3.899 0.005 2 756 90 90 SER CA C 60.749 0.040 1 757 90 90 SER CB C 63.593 0.100 1 758 90 90 SER N N 117.053 0.058 1 759 91 91 THR H H 6.874 0.010 1 760 91 91 THR HA H 4.455 0.007 1 761 91 91 THR HB H 4.067 0.007 1 762 91 91 THR HG2 H 0.930 0.013 1 763 91 91 THR CA C 62.234 0.055 1 764 91 91 THR CB C 71.447 0.025 1 765 91 91 THR CG2 C 20.694 0.009 1 766 91 91 THR N N 109.501 0.002 1 767 92 92 ASP H H 7.741 0.017 1 768 92 92 ASP HA H 4.729 0.006 1 769 92 92 ASP HB2 H 2.333 0.011 2 770 92 92 ASP HB3 H 2.807 0.010 2 771 92 92 ASP CA C 54.146 0.010 1 772 92 92 ASP CB C 41.261 0.006 1 773 92 92 ASP N N 124.875 0.088 1 774 93 93 GLY H H 7.956 0.008 1 775 93 93 GLY HA2 H 4.022 0.008 2 776 93 93 GLY HA3 H 4.022 0.008 2 777 93 93 GLY CA C 45.353 0.004 1 778 93 93 GLY N N 105.149 0.048 1 779 94 94 SER H H 8.233 0.008 1 780 94 94 SER HA H 5.168 0.013 1 781 94 94 SER HB2 H 3.365 0.007 2 782 94 94 SER HB3 H 3.848 0.003 2 783 94 94 SER CA C 56.572 0.007 1 784 94 94 SER CB C 68.249 0.092 1 785 94 94 SER N N 111.497 0.008 1 786 95 95 CYS H H 8.706 0.009 1 787 95 95 CYS HA H 4.731 0.004 1 788 95 95 CYS HB2 H 2.668 0.004 2 789 95 95 CYS HB3 H 2.825 0.006 2 790 95 95 CYS CA C 57.240 0.040 1 791 95 95 CYS CB C 30.801 0.040 1 792 95 95 CYS N N 116.903 0.013 1 793 96 96 THR H H 8.561 0.013 1 794 96 96 THR HA H 5.108 0.011 1 795 96 96 THR HB H 3.674 0.007 1 796 96 96 THR HG2 H 0.814 0.004 1 797 96 96 THR CA C 62.371 0.091 1 798 96 96 THR CB C 71.331 0.028 1 799 96 96 THR CG2 C 20.452 0.048 1 800 96 96 THR N N 122.094 0.008 1 801 97 97 VAL H H 9.449 0.006 1 802 97 97 VAL HA H 4.218 0.009 1 803 97 97 VAL HB H 1.739 0.010 1 804 97 97 VAL HG1 H 0.802 0.007 2 805 97 97 VAL HG2 H 0.846 0.004 2 806 97 97 VAL CA C 61.431 0.022 1 807 97 97 VAL CB C 35.321 0.027 1 808 97 97 VAL CG1 C 21.497 0.002 1 809 97 97 VAL CG2 C 21.497 0.002 1 810 97 97 VAL N N 129.451 0.031 1 811 98 98 ARG H H 8.455 0.009 1 812 98 98 ARG HA H 5.079 0.008 1 813 98 98 ARG HB2 H 1.718 0.001 2 814 98 98 ARG HB3 H 1.718 0.001 2 815 98 98 ARG HG2 H 1.479 0.003 2 816 98 98 ARG HG3 H 1.591 0.001 2 817 98 98 ARG HD2 H 2.930 0.004 2 818 98 98 ARG HD3 H 3.042 0.003 2 819 98 98 ARG CA C 54.035 0.021 1 820 98 98 ARG CB C 32.611 0.011 1 821 98 98 ARG CG C 26.701 0.003 1 822 98 98 ARG CD C 43.912 0.002 1 823 98 98 ARG N N 125.494 0.013 1 824 99 99 TRP H H 9.304 0.007 1 825 99 99 TRP HA H 4.726 0.002 1 826 99 99 TRP HB2 H 2.865 0.006 2 827 99 99 TRP HB3 H 2.951 0.014 2 828 99 99 TRP HD1 H 7.204 0.000 1 829 99 99 TRP HE1 H 10.368 0.014 1 830 99 99 TRP HE3 H 7.431 0.007 1 831 99 99 TRP HZ2 H 7.317 0.004 1 832 99 99 TRP HZ3 H 6.981 0.000 1 833 99 99 TRP HH2 H 7.086 0.005 1 834 99 99 TRP CA C 57.786 0.010 1 835 99 99 TRP CB C 34.452 0.007 1 836 99 99 TRP CE3 C 124.209 0.009 1 837 99 99 TRP CZ2 C 113.896 0.006 1 838 99 99 TRP CZ3 C 124.600 0.000 1 839 99 99 TRP CH2 C 123.904 0.006 1 840 99 99 TRP N N 128.068 0.045 1 841 99 99 TRP NE1 N 130.099 0.011 1 842 100 100 GLU H H 7.468 0.008 1 843 100 100 GLU HA H 5.045 0.008 1 844 100 100 GLU HB2 H 1.879 0.009 2 845 100 100 GLU HB3 H 1.976 0.005 2 846 100 100 GLU CA C 54.811 0.008 1 847 100 100 GLU CB C 35.406 0.004 1 848 100 100 GLU N N 123.736 0.044 1 849 101 101 ASN H H 8.380 0.004 1 850 101 101 ASN HA H 4.287 0.011 1 851 101 101 ASN HB2 H 2.490 0.005 2 852 101 101 ASN HB3 H 3.302 0.000 2 853 101 101 ASN CA C 50.652 0.010 1 854 101 101 ASN CB C 38.872 0.003 1 855 101 101 ASN N N 122.099 0.037 1 856 102 102 LYS H H 8.342 0.002 1 857 102 102 LYS HA H 3.881 0.006 1 858 102 102 LYS HB2 H 1.802 0.002 2 859 102 102 LYS HB3 H 1.848 0.001 2 860 102 102 LYS HG2 H 1.357 0.005 2 861 102 102 LYS HG3 H 1.468 0.003 2 862 102 102 LYS HD2 H 1.620 0.004 2 863 102 102 LYS HD3 H 1.620 0.004 2 864 102 102 LYS HE2 H 2.909 0.001 2 865 102 102 LYS HE3 H 2.909 0.001 2 866 102 102 LYS CA C 60.312 0.009 1 867 102 102 LYS CB C 32.669 0.006 1 868 102 102 LYS CG C 25.483 0.006 1 869 102 102 LYS CD C 29.142 0.004 1 870 102 102 LYS CE C 42.261 0.004 1 871 103 103 THR H H 7.679 0.011 1 872 103 103 THR HA H 4.778 0.005 1 873 103 103 THR HB H 4.664 0.001 1 874 103 103 THR HG2 H 1.264 0.005 1 875 103 103 THR CA C 61.688 0.007 1 876 103 103 THR CB C 72.207 0.006 1 877 103 103 THR CG2 C 21.567 0.004 1 878 103 103 THR N N 101.100 0.001 1 879 104 104 MET H H 8.292 0.007 1 880 104 104 MET HA H 5.267 0.012 1 881 104 104 MET HB2 H 1.928 0.002 2 882 104 104 MET HB3 H 2.178 0.006 2 883 104 104 MET HG2 H 2.478 0.001 2 884 104 104 MET HG3 H 2.560 0.000 2 885 104 104 MET CA C 56.176 0.028 1 886 104 104 MET CB C 39.103 0.014 1 887 104 104 MET CG C 34.124 0.010 1 888 104 104 MET N N 122.951 0.059 1 889 105 105 TYR H H 8.489 0.013 1 890 105 105 TYR HA H 5.098 0.010 1 891 105 105 TYR CA C 55.711 0.010 1 892 105 105 TYR N N 118.100 0.000 1 893 106 106 CYS H H 9.406 0.009 1 894 106 106 CYS HA H 5.783 0.015 1 895 106 106 CYS HB2 H 2.585 0.014 2 896 106 106 CYS HB3 H 2.727 0.001 2 897 106 106 CYS CA C 56.629 0.039 1 898 106 106 CYS CB C 30.569 0.009 1 899 106 106 CYS N N 123.098 0.007 1 900 107 107 ILE H H 9.102 0.010 1 901 107 107 ILE HA H 5.180 0.007 1 902 107 107 ILE HB H 1.545 0.002 1 903 107 107 ILE HG12 H 0.944 0.000 2 904 107 107 ILE HG13 H 1.641 0.003 2 905 107 107 ILE HG2 H 0.725 0.001 1 906 107 107 ILE HD1 H 0.833 0.002 1 907 107 107 ILE CA C 60.058 0.095 1 908 107 107 ILE CB C 42.360 0.007 1 909 107 107 ILE CG1 C 28.479 0.002 1 910 107 107 ILE CG2 C 18.096 0.003 1 911 107 107 ILE CD1 C 16.358 0.018 1 912 107 107 ILE N N 126.943 0.044 1 913 108 108 VAL H H 9.051 0.004 1 914 108 108 VAL HA H 5.145 0.008 1 915 108 108 VAL HB H 1.605 0.003 1 916 108 108 VAL HG1 H 0.754 0.012 2 917 108 108 VAL HG2 H 0.799 0.006 2 918 108 108 VAL CA C 60.085 0.044 1 919 108 108 VAL CB C 34.564 0.080 1 920 108 108 VAL CG1 C 21.507 0.007 1 921 108 108 VAL CG2 C 24.024 0.027 1 922 108 108 VAL N N 129.881 0.012 1 923 109 109 SER H H 8.572 0.009 1 924 109 109 SER HA H 5.308 0.009 1 925 109 109 SER HB2 H 3.336 0.004 2 926 109 109 SER HB3 H 3.731 0.010 2 927 109 109 SER CA C 56.795 0.036 1 928 109 109 SER CB C 65.089 0.022 1 929 109 109 SER N N 121.903 0.025 1 930 110 110 ALA H H 8.646 0.006 1 931 110 110 ALA HA H 5.406 0.011 1 932 110 110 ALA HB H 0.976 0.009 1 933 110 110 ALA CA C 49.635 0.029 1 934 110 110 ALA CB C 21.718 0.008 1 935 110 110 ALA N N 124.803 0.018 1 936 111 111 PHE H H 9.329 0.005 1 937 111 111 PHE HA H 4.952 0.011 1 938 111 111 PHE HB2 H 2.806 0.005 2 939 111 111 PHE HB3 H 2.861 0.022 2 940 111 111 PHE CA C 56.064 0.034 1 941 111 111 PHE CB C 42.618 0.007 1 942 111 111 PHE N N 119.496 0.013 1 943 112 112 GLY H H 8.954 0.009 1 944 112 112 GLY HA2 H 2.893 0.005 2 945 112 112 GLY HA3 H 2.893 0.005 2 946 112 112 GLY CA C 45.208 0.006 1 947 112 112 GLY N N 109.702 0.006 1 948 113 113 LEU H H 8.927 0.007 1 949 113 113 LEU HA H 4.768 0.010 1 950 113 113 LEU HB2 H 1.518 0.016 2 951 113 113 LEU HB3 H 1.706 0.073 2 952 113 113 LEU HG H 1.842 0.004 1 953 113 113 LEU HD1 H 0.988 0.005 2 954 113 113 LEU HD2 H 1.090 0.008 2 955 113 113 LEU CA C 52.470 0.010 1 956 113 113 LEU CB C 42.493 0.044 1 957 113 113 LEU CG C 28.922 0.030 1 958 113 113 LEU CD1 C 26.614 0.022 1 959 113 113 LEU CD2 C 24.900 0.006 1 960 113 113 LEU N N 126.100 0.001 1 961 114 114 SER H H 9.275 0.007 1 962 114 114 SER HA H 3.618 0.007 1 963 114 114 SER HB2 H 3.503 0.012 2 964 114 114 SER HB3 H 3.606 0.003 2 965 114 114 SER CA C 58.523 0.044 1 966 114 114 SER CB C 63.185 0.031 1 967 114 114 SER N N 119.998 0.005 1 968 115 115 ILE H H 7.680 0.010 1 969 115 115 ILE HA H 4.072 0.018 1 970 115 115 ILE HB H 1.748 0.022 1 971 115 115 ILE HG12 H 1.071 0.004 2 972 115 115 ILE HG13 H 1.329 0.005 2 973 115 115 ILE HG2 H 0.786 0.007 1 974 115 115 ILE HD1 H 0.768 0.005 1 975 115 115 ILE CA C 62.011 0.010 1 976 115 115 ILE CB C 38.580 0.008 1 977 115 115 ILE CG1 C 26.909 0.003 1 978 115 115 ILE CG2 C 18.215 0.022 1 979 115 115 ILE CD1 C 12.595 0.000 1 980 115 115 ILE N N 122.165 0.044 1 981 116 116 GLY H H 8.148 0.012 1 982 116 116 GLY HA2 H 3.863 0.014 2 983 116 116 GLY HA3 H 3.863 0.014 2 984 116 116 GLY CA C 45.001 0.007 1 985 116 116 GLY N N 110.200 0.002 1 986 117 117 GLY H H 8.179 0.003 1 987 117 117 GLY HA2 H 3.849 0.005 2 988 117 117 GLY HA3 H 3.849 0.005 2 989 117 117 GLY CA C 45.146 0.004 1 990 117 117 GLY N N 108.682 0.035 1 991 118 118 GLY H H 8.318 0.003 1 992 118 118 GLY HA2 H 3.830 0.006 2 993 118 118 GLY HA3 H 3.830 0.006 2 994 118 118 GLY CA C 45.220 0.010 1 995 118 118 GLY N N 108.703 0.006 1 996 119 119 SER H H 8.290 0.006 1 997 119 119 SER HA H 4.698 0.001 1 998 119 119 SER HB2 H 3.750 0.001 2 999 119 119 SER HB3 H 3.793 0.001 2 1000 119 119 SER CA C 58.512 0.008 1 1001 119 119 SER CB C 63.727 0.002 1 1002 119 119 SER N N 115.703 0.006 1 1003 120 120 GLY H H 8.430 0.007 1 1004 120 120 GLY CA C 45.477 0.004 1 1005 120 120 GLY N N 110.798 0.007 1 1006 121 121 GLN H H 8.039 0.006 1 1007 121 121 GLN HA H 4.259 0.012 1 1008 121 121 GLN HB2 H 1.849 0.003 2 1009 121 121 GLN HB3 H 2.034 0.002 2 1010 121 121 GLN HG2 H 2.210 0.001 2 1011 121 121 GLN HG3 H 2.226 0.006 2 1012 121 121 GLN CA C 56.000 0.004 1 1013 121 121 GLN CB C 29.113 0.010 1 1014 121 121 GLN CG C 33.839 0.001 1 1015 121 121 GLN N N 119.803 0.007 1 1016 122 122 SER H H 7.992 0.001 1 1017 122 122 SER HA H 4.402 0.001 1 1018 122 122 SER HB2 H 3.742 0.001 2 1019 122 122 SER HB3 H 3.789 0.001 2 1020 122 122 SER CA C 58.271 0.008 1 1021 122 122 SER CB C 63.843 0.044 1 1022 123 123 GLY H H 7.948 0.008 1 1023 123 123 GLY HA2 H 3.973 0.009 2 1024 123 123 GLY HA3 H 4.031 0.007 2 1025 123 123 GLY CA C 44.376 0.004 1 1026 123 123 GLY N N 110.673 0.045 1 1027 124 124 PRO HA H 4.344 0.007 1 1028 124 124 PRO HB2 H 1.756 0.002 2 1029 124 124 PRO HB3 H 2.161 0.004 2 1030 124 124 PRO HG2 H 1.907 0.005 2 1031 124 124 PRO HG3 H 1.907 0.005 2 1032 124 124 PRO HD2 H 3.505 0.005 2 1033 124 124 PRO HD3 H 3.505 0.005 2 1034 124 124 PRO CA C 62.777 0.024 1 1035 124 124 PRO CB C 31.960 0.004 1 1036 124 124 PRO CG C 27.162 0.005 1 1037 124 124 PRO CD C 49.771 0.004 1 1038 125 125 ILE H H 8.178 0.007 1 1039 125 125 ILE HA H 3.960 0.011 1 1040 125 125 ILE HB H 1.667 0.008 1 1041 125 125 ILE HG12 H 1.029 0.002 2 1042 125 125 ILE HG13 H 1.388 0.003 2 1043 125 125 ILE HG2 H 0.723 0.001 1 1044 125 125 ILE HD1 H 0.723 0.006 1 1045 125 125 ILE CA C 61.233 0.034 1 1046 125 125 ILE CB C 38.590 0.010 1 1047 125 125 ILE CG1 C 27.406 0.002 1 1048 125 125 ILE CG2 C 17.358 0.004 1 1049 125 125 ILE CD1 C 13.496 0.006 1 1050 125 125 ILE N N 122.096 0.098 1 1051 126 126 LYS H H 8.351 0.007 1 1052 126 126 LYS HA H 4.352 0.009 1 1053 126 126 LYS HB2 H 1.600 0.003 2 1054 126 126 LYS HB3 H 1.733 0.006 2 1055 126 126 LYS HG2 H 1.252 0.003 2 1056 126 126 LYS HG3 H 1.328 0.002 2 1057 126 126 LYS HD2 H 1.609 0.002 2 1058 126 126 LYS HD3 H 1.609 0.002 2 1059 126 126 LYS HE2 H 2.921 0.005 2 1060 126 126 LYS HE3 H 2.921 0.005 2 1061 126 126 LYS CA C 55.220 0.004 1 1062 126 126 LYS CB C 32.660 0.003 1 1063 126 126 LYS CG C 24.511 0.002 1 1064 126 126 LYS CD C 29.087 0.005 1 1065 126 126 LYS CE C 42.157 0.004 1 1066 126 126 LYS N N 128.101 0.004 1 1067 127 127 LEU H H 8.003 0.009 1 1068 127 127 LEU HA H 4.531 0.008 1 1069 127 127 LEU HB2 H 0.245 0.005 2 1070 127 127 LEU HB3 H 1.264 0.007 2 1071 127 127 LEU HG H 1.345 0.007 1 1072 127 127 LEU HD1 H 0.427 0.074 2 1073 127 127 LEU HD2 H 0.712 0.003 2 1074 127 127 LEU CA C 53.071 0.047 1 1075 127 127 LEU CB C 43.054 0.019 1 1076 127 127 LEU CG C 26.903 0.016 1 1077 127 127 LEU CD1 C 24.088 0.012 1 1078 127 127 LEU CD2 C 26.396 0.009 1 1079 127 127 LEU N N 124.204 0.010 1 1080 128 128 GLY H H 8.713 0.006 1 1081 128 128 GLY HA2 H 3.962 0.008 2 1082 128 128 GLY HA3 H 4.348 0.013 2 1083 128 128 GLY CA C 45.075 0.007 1 1084 128 128 GLY N N 107.602 0.006 1 1085 129 129 MET H H 8.710 0.007 1 1086 129 129 MET HA H 5.272 0.005 1 1087 129 129 MET HB2 H 2.096 0.003 2 1088 129 129 MET HB3 H 2.096 0.003 2 1089 129 129 MET HG2 H 2.828 0.004 2 1090 129 129 MET HG3 H 2.828 0.004 2 1091 129 129 MET CA C 54.607 0.005 1 1092 129 129 MET CB C 33.189 0.003 1 1093 129 129 MET CG C 33.183 0.011 1 1094 129 129 MET N N 118.699 0.002 1 1095 130 130 ALA H H 8.395 0.007 1 1096 130 130 ALA HA H 4.539 0.012 1 1097 130 130 ALA HB H 0.986 0.006 1 1098 130 130 ALA CA C 50.938 0.214 1 1099 130 130 ALA CB C 20.278 0.007 1 1100 130 130 ALA N N 127.483 0.045 1 1101 131 131 LYS H H 8.242 0.005 1 1102 131 131 LYS HA H 4.258 0.006 1 1103 131 131 LYS HB2 H 1.776 0.002 2 1104 131 131 LYS HB3 H 1.776 0.002 2 1105 131 131 LYS HG2 H 1.430 0.001 2 1106 131 131 LYS HG3 H 1.471 0.002 2 1107 131 131 LYS HD2 H 1.684 0.001 2 1108 131 131 LYS HD3 H 1.684 0.001 2 1109 131 131 LYS HE2 H 3.003 0.004 2 1110 131 131 LYS HE3 H 3.003 0.004 2 1111 131 131 LYS CA C 56.390 0.021 1 1112 131 131 LYS CB C 32.611 0.004 1 1113 131 131 LYS CG C 24.669 0.002 1 1114 131 131 LYS CD C 29.431 0.004 1 1115 131 131 LYS CE C 42.320 0.005 1 1116 131 131 LYS N N 119.543 0.082 1 1117 132 132 ILE H H 8.710 0.009 1 1118 132 132 ILE HA H 4.398 0.011 1 1119 132 132 ILE HB H 1.895 0.006 1 1120 132 132 ILE HG12 H 1.140 0.006 2 1121 132 132 ILE HG13 H 1.608 0.009 2 1122 132 132 ILE HG2 H 0.789 0.006 1 1123 132 132 ILE HD1 H 0.833 0.006 1 1124 132 132 ILE CA C 60.985 0.030 1 1125 132 132 ILE CB C 37.980 0.040 1 1126 132 132 ILE CG1 C 27.996 0.008 1 1127 132 132 ILE CG2 C 18.017 0.029 1 1128 132 132 ILE CD1 C 13.419 0.023 1 1129 132 132 ILE N N 125.690 0.031 1 1130 133 133 THR H H 8.120 0.008 1 1131 133 133 THR HA H 4.431 0.008 1 1132 133 133 THR HB H 4.002 0.013 1 1133 133 133 THR HG2 H 1.053 0.004 1 1134 133 133 THR CA C 62.713 0.043 1 1135 133 133 THR CB C 69.734 0.122 1 1136 133 133 THR CG2 C 20.751 0.007 1 1137 133 133 THR N N 121.801 0.002 1 1138 134 134 GLN H H 8.992 0.009 1 1139 134 134 GLN HA H 5.184 0.012 1 1140 134 134 GLN HB2 H 1.915 0.005 2 1141 134 134 GLN HB3 H 2.017 0.002 2 1142 134 134 GLN HG2 H 2.108 0.001 2 1143 134 134 GLN HG3 H 2.213 0.003 2 1144 134 134 GLN CA C 54.773 0.009 1 1145 134 134 GLN CB C 33.049 0.002 1 1146 134 134 GLN CG C 34.929 0.003 1 1147 134 134 GLN N N 127.560 0.052 1 1148 135 135 VAL H H 8.198 0.005 1 1149 135 135 VAL HA H 3.953 0.006 1 1150 135 135 VAL HB H 1.971 0.001 1 1151 135 135 VAL HG1 H 0.524 0.008 2 1152 135 135 VAL HG2 H 0.630 0.008 2 1153 135 135 VAL CA C 62.589 0.005 1 1154 135 135 VAL CB C 33.443 0.004 1 1155 135 135 VAL CG1 C 22.002 0.003 1 1156 135 135 VAL CG2 C 22.000 0.005 1 1157 135 135 VAL N N 123.297 0.031 1 1158 136 136 ASP H H 8.279 0.008 1 1159 136 136 ASP HA H 5.167 0.010 1 1160 136 136 ASP HB2 H 2.482 0.007 2 1161 136 136 ASP HB3 H 2.583 0.008 2 1162 136 136 ASP CA C 53.298 0.014 1 1163 136 136 ASP CB C 45.261 0.035 1 1164 136 136 ASP N N 126.000 0.001 1 1165 137 137 PHE H H 8.877 0.013 1 1166 137 137 PHE HA H 4.857 0.011 1 1167 137 137 PHE HB2 H 2.465 0.000 2 1168 137 137 PHE HB3 H 2.625 0.012 2 1169 137 137 PHE CA C 54.589 0.009 1 1170 137 137 PHE CB C 40.000 0.000 1 1171 137 137 PHE N N 125.108 0.016 1 1172 140 140 ARG H H 8.334 0.001 1 1173 140 140 ARG HA H 4.282 0.001 1 1174 140 140 ARG HB2 H 1.643 0.001 2 1175 140 140 ARG HB3 H 1.740 0.001 2 1176 140 140 ARG HG2 H 1.517 0.004 2 1177 140 140 ARG HG3 H 1.567 0.001 2 1178 140 140 ARG HD2 H 3.090 0.003 2 1179 140 140 ARG HD3 H 3.090 0.003 2 1180 140 140 ARG CA C 55.768 0.003 1 1181 140 140 ARG CB C 32.003 0.003 1 1182 140 140 ARG CG C 26.610 0.001 1 1183 140 140 ARG CD C 43.669 0.002 1 1184 141 141 GLU H H 8.347 0.007 1 1185 141 141 GLU HA H 4.155 0.004 1 1186 141 141 GLU HB2 H 1.832 0.003 2 1187 141 141 GLU HB3 H 1.935 0.002 2 1188 141 141 GLU HG2 H 2.238 0.004 2 1189 141 141 GLU HG3 H 2.238 0.004 2 1190 141 141 GLU CA C 56.256 0.004 1 1191 141 141 GLU CB C 30.248 0.003 1 1192 141 141 GLU CG C 33.873 0.004 1 1193 141 141 GLU N N 121.715 0.037 1 1194 142 142 ILE H H 8.222 0.006 1 1195 142 142 ILE HA H 4.076 0.011 1 1196 142 142 ILE HB H 1.781 0.010 1 1197 142 142 ILE HG12 H 1.069 0.007 2 1198 142 142 ILE HG13 H 1.335 0.006 2 1199 142 142 ILE HG2 H 0.782 0.005 1 1200 142 142 ILE HD1 H 0.698 0.003 1 1201 142 142 ILE CA C 61.094 0.096 1 1202 142 142 ILE CB C 38.162 0.007 1 1203 142 142 ILE CG1 C 27.166 0.011 1 1204 142 142 ILE CG2 C 17.471 0.008 1 1205 142 142 ILE CD1 C 12.383 0.006 1 1206 142 142 ILE N N 123.235 0.037 1 1207 143 143 VAL H H 7.591 0.006 1 1208 143 143 VAL HA H 3.968 0.008 1 1209 143 143 VAL HB H 1.977 0.003 1 1210 143 143 VAL HG1 H 0.798 0.008 2 1211 143 143 VAL HG2 H 0.798 0.008 2 1212 143 143 VAL CA C 63.391 0.021 1 1213 143 143 VAL CB C 33.328 0.015 1 1214 143 143 VAL CG1 C 20.160 0.003 1 1215 143 143 VAL CG2 C 21.631 0.003 1 1216 143 143 VAL N N 128.733 0.024 1 stop_ save_ save_assigned_chemical_shifts_1_2 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Software_label $software_3 stop_ loop_ _Experiment_label '2D 1H-1H NOESY' '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D CBCA(CO)NH' '3D HNCACB' '3D HNCA' '3D HN(CO)CA' '3D HCCH-TOCSY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 $sample_2 $sample_3 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chem_shift_reference_1 _Mol_system_component_name 'entity_1, chain 2' _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 1 144 1 GLY CA C 45.216 0.002 1 2 145 2 SER H H 8.229 0.002 1 3 145 2 SER CA C 58.516 0.046 1 4 145 2 SER CB C 63.991 0.026 1 5 145 2 SER N N 115.595 0.028 1 6 146 3 MET H H 8.563 0.003 1 7 146 3 MET HA H 4.401 0.012 1 8 146 3 MET HB2 H 1.951 0.004 2 9 146 3 MET HB3 H 2.038 0.001 2 10 146 3 MET HG2 H 2.469 0.005 2 11 146 3 MET HG3 H 2.545 0.005 2 12 146 3 MET CA C 56.091 0.024 1 13 146 3 MET CB C 32.280 0.004 1 14 146 3 MET CG C 31.978 0.000 1 15 146 3 MET N N 121.950 0.001 1 16 147 4 GLU H H 8.323 0.006 1 17 147 4 GLU HA H 4.132 0.011 1 18 147 4 GLU HB2 H 1.893 0.004 2 19 147 4 GLU HB3 H 1.975 0.006 2 20 147 4 GLU HG2 H 2.192 0.008 2 21 147 4 GLU HG3 H 2.192 0.008 2 22 147 4 GLU CA C 57.223 0.006 1 23 147 4 GLU CB C 29.703 0.006 1 24 147 4 GLU CG C 36.514 0.000 1 25 147 4 GLU N N 120.702 0.010 1 26 148 5 ASP H H 8.081 0.008 1 27 148 5 ASP HA H 4.455 0.009 1 28 148 5 ASP HB2 H 2.471 0.006 2 29 148 5 ASP HB3 H 2.556 0.008 2 30 148 5 ASP CA C 54.544 0.005 1 31 148 5 ASP CB C 40.913 0.003 1 32 148 5 ASP N N 120.565 0.087 1 33 149 6 TYR H H 7.914 0.006 1 34 149 6 TYR HA H 4.427 0.014 1 35 149 6 TYR HB2 H 2.910 0.008 2 36 149 6 TYR HB3 H 2.952 0.012 2 37 149 6 TYR HD1 H 7.088 0.011 1 38 149 6 TYR HD2 H 7.088 0.011 1 39 149 6 TYR HE1 H 6.849 0.034 1 40 149 6 TYR HE2 H 6.849 0.034 1 41 149 6 TYR CA C 58.290 0.039 1 42 149 6 TYR CB C 38.581 0.016 1 43 149 6 TYR CD1 C 133.082 0.025 1 44 149 6 TYR CE1 C 118.139 0.095 1 45 149 6 TYR N N 120.512 0.011 1 46 150 7 GLN H H 8.021 0.017 1 47 150 7 GLN HA H 4.153 0.010 1 48 150 7 GLN HB2 H 1.836 0.003 2 49 150 7 GLN HB3 H 1.934 0.003 2 50 150 7 GLN HG2 H 2.195 0.003 2 51 150 7 GLN HG3 H 2.195 0.003 2 52 150 7 GLN CA C 55.568 0.013 1 53 150 7 GLN CB C 29.380 0.011 1 54 150 7 GLN CG C 33.655 0.018 1 55 150 7 GLN N N 122.489 0.010 1 56 151 8 ALA H H 8.105 0.009 1 57 151 8 ALA HA H 4.150 0.008 1 58 151 8 ALA HB H 1.328 0.009 1 59 151 8 ALA CA C 52.531 0.021 1 60 151 8 ALA CB C 19.172 0.033 1 61 151 8 ALA N N 125.378 0.013 1 62 152 9 ALA H H 8.151 0.005 1 63 152 9 ALA HA H 4.206 0.013 1 64 152 9 ALA HB H 1.349 0.016 1 65 152 9 ALA CA C 52.690 0.057 1 66 152 9 ALA CB C 19.133 0.043 1 67 152 9 ALA N N 123.529 0.033 1 68 153 10 GLU H H 8.371 0.007 1 69 153 10 GLU HA H 4.712 0.013 1 70 153 10 GLU HB2 H 1.886 0.004 2 71 153 10 GLU HB3 H 1.962 0.012 2 72 153 10 GLU HG2 H 2.211 0.003 2 73 153 10 GLU HG3 H 2.211 0.003 2 74 153 10 GLU CA C 57.420 0.003 1 75 153 10 GLU CB C 29.895 0.003 1 76 153 10 GLU N N 119.820 0.092 1 77 154 11 GLU H H 8.371 0.006 1 78 154 11 GLU HA H 4.689 0.015 1 79 154 11 GLU HB2 H 1.975 0.002 2 80 154 11 GLU HB3 H 2.032 0.013 2 81 154 11 GLU HG2 H 2.212 0.004 2 82 154 11 GLU HG3 H 2.212 0.004 2 83 154 11 GLU CA C 57.481 0.006 1 84 154 11 GLU CB C 29.961 0.035 1 85 154 11 GLU CG C 36.518 0.004 1 86 154 11 GLU N N 119.997 0.006 1 87 155 12 THR H H 7.866 0.017 1 88 155 12 THR HA H 4.304 0.007 1 89 155 12 THR HB H 4.276 0.010 1 90 155 12 THR HG2 H 1.076 0.005 1 91 155 12 THR CA C 60.996 0.040 1 92 155 12 THR CB C 69.488 0.030 1 93 155 12 THR CG2 C 21.662 0.000 1 94 155 12 THR N N 110.500 0.002 1 95 156 13 ALA H H 7.713 0.006 1 96 156 13 ALA HA H 4.561 0.009 1 97 156 13 ALA HB H 1.311 0.003 1 98 156 13 ALA CA C 51.835 0.061 1 99 156 13 ALA CB C 20.491 0.046 1 100 156 13 ALA N N 124.206 0.015 1 101 157 14 PHE H H 8.738 0.007 1 102 157 14 PHE HA H 3.885 0.013 1 103 157 14 PHE HB2 H 2.345 0.009 2 104 157 14 PHE HB3 H 2.832 0.004 2 105 157 14 PHE HD1 H 6.654 0.011 1 106 157 14 PHE HD2 H 6.654 0.011 1 107 157 14 PHE CA C 57.978 0.024 1 108 157 14 PHE CB C 38.187 0.008 1 109 157 14 PHE N N 122.698 0.005 1 110 158 15 VAL H H 8.427 0.009 1 111 158 15 VAL HA H 4.061 0.013 1 112 158 15 VAL HB H 1.764 0.027 1 113 158 15 VAL HG1 H 0.731 0.009 2 114 158 15 VAL HG2 H 0.746 0.006 2 115 158 15 VAL CA C 61.627 0.007 1 116 158 15 VAL CB C 31.345 0.003 1 117 158 15 VAL CG1 C 20.304 0.000 1 118 158 15 VAL CG2 C 21.137 0.028 1 119 158 15 VAL N N 131.417 0.231 1 120 159 16 VAL H H 8.648 0.013 1 121 159 16 VAL HA H 3.184 0.010 1 122 159 16 VAL HB H 2.062 0.010 1 123 159 16 VAL HG1 H 1.009 0.003 2 124 159 16 VAL HG2 H 1.241 0.007 2 125 159 16 VAL CA C 67.617 0.038 1 126 159 16 VAL CB C 31.763 0.081 1 127 159 16 VAL CG1 C 21.134 0.005 1 128 159 16 VAL CG2 C 22.605 0.009 1 129 159 16 VAL N N 129.080 0.019 1 130 160 17 ASP H H 8.787 0.012 1 131 160 17 ASP HA H 4.250 0.010 1 132 160 17 ASP HB2 H 2.411 0.010 2 133 160 17 ASP HB3 H 2.493 0.014 2 134 160 17 ASP CA C 57.623 0.021 1 135 160 17 ASP CB C 40.218 0.034 1 136 160 17 ASP N N 118.704 0.013 1 137 161 18 GLU H H 6.604 0.010 1 138 161 18 GLU HA H 3.979 0.010 1 139 161 18 GLU HB2 H 1.887 0.003 2 140 161 18 GLU HB3 H 1.971 0.017 2 141 161 18 GLU HG2 H 1.951 0.018 2 142 161 18 GLU HG3 H 1.951 0.018 2 143 161 18 GLU CA C 58.106 0.017 1 144 161 18 GLU CB C 30.248 0.044 1 145 161 18 GLU CG C 36.410 0.005 1 146 161 18 GLU N N 118.212 0.031 1 147 162 19 VAL H H 7.375 0.012 1 148 162 19 VAL HA H 3.178 0.018 1 149 162 19 VAL HB H 1.626 0.004 1 150 162 19 VAL HG1 H 0.101 0.007 2 151 162 19 VAL HG2 H 0.617 0.011 2 152 162 19 VAL CA C 66.491 0.034 1 153 162 19 VAL CB C 31.181 0.059 1 154 162 19 VAL CG1 C 21.089 0.023 1 155 162 19 VAL CG2 C 21.751 0.001 1 156 162 19 VAL N N 120.306 0.019 1 157 163 20 SER H H 8.881 0.007 1 158 163 20 SER HA H 3.857 0.012 1 159 163 20 SER HB2 H 3.783 0.009 2 160 163 20 SER HB3 H 3.783 0.009 2 161 163 20 SER CA C 62.098 0.003 1 162 163 20 SER CB C 62.750 0.004 1 163 163 20 SER N N 115.603 0.010 1 164 164 21 ASN H H 7.465 0.011 1 165 164 21 ASN HA H 4.361 0.009 1 166 164 21 ASN HB2 H 2.746 0.011 2 167 164 21 ASN HB3 H 2.746 0.011 2 168 164 21 ASN CA C 56.603 0.004 1 169 164 21 ASN CB C 38.135 0.002 1 170 164 21 ASN N N 118.310 0.009 1 171 165 22 ILE H H 7.170 0.009 1 172 165 22 ILE HA H 3.534 0.012 1 173 165 22 ILE HB H 1.859 0.009 1 174 165 22 ILE HG12 H 0.889 0.009 2 175 165 22 ILE HG13 H 1.698 0.006 2 176 165 22 ILE HG2 H 0.773 0.006 1 177 165 22 ILE HD1 H 0.566 0.005 1 178 165 22 ILE CA C 65.363 0.052 1 179 165 22 ILE CB C 38.649 0.035 1 180 165 22 ILE CG1 C 29.826 0.035 1 181 165 22 ILE CG2 C 17.784 0.056 1 182 165 22 ILE CD1 C 14.302 0.027 1 183 165 22 ILE N N 121.294 0.017 1 184 166 23 VAL H H 8.223 0.010 1 185 166 23 VAL HA H 3.396 0.008 1 186 166 23 VAL HB H 2.017 0.004 1 187 166 23 VAL HG1 H 0.649 0.002 2 188 166 23 VAL HG2 H 0.732 0.021 2 189 166 23 VAL CA C 66.371 0.158 1 190 166 23 VAL CB C 31.457 0.007 1 191 166 23 VAL CG1 C 22.349 0.004 1 192 166 23 VAL CG2 C 22.972 0.006 1 193 166 23 VAL N N 120.404 0.009 1 194 167 24 LYS H H 8.447 0.013 1 195 167 24 LYS HA H 3.585 0.006 1 196 167 24 LYS HB2 H 1.833 0.005 2 197 167 24 LYS HB3 H 1.884 0.003 2 198 167 24 LYS HG2 H 1.368 0.005 2 199 167 24 LYS HG3 H 1.582 0.002 2 200 167 24 LYS HD2 H 1.671 0.005 2 201 167 24 LYS HD3 H 1.671 0.005 2 202 167 24 LYS HE2 H 2.916 0.002 2 203 167 24 LYS HE3 H 2.916 0.002 2 204 167 24 LYS CA C 60.848 0.011 1 205 167 24 LYS CB C 32.480 0.028 1 206 167 24 LYS CG C 26.503 0.007 1 207 167 24 LYS CD C 29.702 0.023 1 208 167 24 LYS CE C 42.212 0.008 1 209 167 24 LYS N N 118.400 0.000 1 210 168 25 GLU H H 7.734 0.006 1 211 168 25 GLU HA H 3.874 0.008 1 212 168 25 GLU HB2 H 1.894 0.007 2 213 168 25 GLU HB3 H 1.960 0.002 2 214 168 25 GLU HG2 H 2.068 0.007 2 215 168 25 GLU HG3 H 2.264 0.002 2 216 168 25 GLU CA C 59.153 0.025 1 217 168 25 GLU CB C 28.760 0.064 1 218 168 25 GLU CG C 36.534 0.002 1 219 168 25 GLU N N 117.300 0.001 1 220 169 26 ALA H H 7.900 0.008 1 221 169 26 ALA HA H 3.877 0.012 1 222 169 26 ALA HB H 1.325 0.007 1 223 169 26 ALA CA C 55.149 0.064 1 224 169 26 ALA CB C 18.581 0.041 1 225 169 26 ALA N N 123.785 0.065 1 226 170 27 ILE H H 8.093 0.013 1 227 170 27 ILE HA H 2.981 0.010 1 228 170 27 ILE HB H 1.126 0.009 1 229 170 27 ILE HG12 H 0.333 0.002 2 230 170 27 ILE HG13 H 1.619 0.004 2 231 170 27 ILE HG2 H -0.801 0.007 1 232 170 27 ILE HD1 H 0.385 0.008 1 233 170 27 ILE CA C 65.948 0.036 1 234 170 27 ILE CB C 39.039 0.024 1 235 170 27 ILE CG1 C 28.509 0.010 1 236 170 27 ILE CG2 C 15.045 0.017 1 237 170 27 ILE CD1 C 14.758 0.181 1 238 170 27 ILE N N 118.299 0.080 1 239 171 28 GLU H H 7.839 0.008 1 240 171 28 GLU HA H 3.452 0.011 1 241 171 28 GLU HB2 H 1.881 0.002 2 242 171 28 GLU HB3 H 1.922 0.002 2 243 171 28 GLU HG2 H 2.060 0.020 2 244 171 28 GLU HG3 H 2.267 0.002 2 245 171 28 GLU CA C 59.407 0.015 1 246 171 28 GLU CB C 28.717 0.051 1 247 171 28 GLU CG C 36.084 0.025 1 248 171 28 GLU N N 117.899 0.004 1 249 172 29 SER H H 8.034 0.010 1 250 172 29 SER HA H 3.950 0.007 1 251 172 29 SER HB2 H 3.795 0.002 2 252 172 29 SER HB3 H 3.795 0.002 2 253 172 29 SER CA C 60.842 0.014 1 254 172 29 SER CB C 63.090 0.008 1 255 172 29 SER N N 112.399 0.003 1 256 173 30 ALA H H 7.457 0.010 1 257 173 30 ALA HA H 4.083 0.008 1 258 173 30 ALA HB H 1.190 0.010 1 259 173 30 ALA CA C 54.053 0.036 1 260 173 30 ALA CB C 20.687 0.019 1 261 173 30 ALA N N 121.292 0.018 1 262 174 31 ILE H H 7.657 0.010 1 263 174 31 ILE HA H 3.020 0.008 1 264 174 31 ILE HB H 1.228 0.011 1 265 174 31 ILE HG12 H 0.187 0.007 2 266 174 31 ILE HG13 H 0.561 0.007 2 267 174 31 ILE HG2 H 0.159 0.002 1 268 174 31 ILE HD1 H 0.224 0.006 1 269 174 31 ILE CA C 61.792 0.039 1 270 174 31 ILE CB C 39.252 0.071 1 271 174 31 ILE CG1 C 26.322 0.012 1 272 174 31 ILE CG2 C 18.792 0.011 1 273 174 31 ILE CD1 C 13.974 0.021 1 274 174 31 ILE N N 110.000 0.001 1 275 175 32 GLY H H 7.334 0.008 1 276 175 32 GLY HA2 H 3.805 0.006 2 277 175 32 GLY HA3 H 3.805 0.006 2 278 175 32 GLY CA C 47.499 0.016 1 279 175 32 GLY N N 108.601 0.002 1 280 176 33 GLY H H 8.865 0.052 1 281 176 33 GLY HA2 H 3.975 0.012 2 282 176 33 GLY HA3 H 3.975 0.012 2 283 176 33 GLY CA C 45.058 0.022 1 284 176 33 GLY N N 112.801 0.004 1 285 177 34 ASN H H 7.597 0.010 1 286 177 34 ASN HA H 4.545 0.012 1 287 177 34 ASN HB2 H 2.009 0.006 2 288 177 34 ASN HB3 H 2.303 0.008 2 289 177 34 ASN CA C 53.272 0.046 1 290 177 34 ASN CB C 40.703 0.008 1 291 177 34 ASN N N 118.507 0.025 1 292 178 35 ALA H H 8.240 0.005 1 293 178 35 ALA HA H 4.577 0.009 1 294 178 35 ALA HB H 1.403 0.009 1 295 178 35 ALA CA C 49.906 0.067 1 296 178 35 ALA CB C 20.169 0.008 1 297 178 35 ALA N N 121.309 0.015 1 298 179 36 TYR H H 8.687 0.014 1 299 179 36 TYR HA H 4.050 0.009 1 300 179 36 TYR HB2 H 2.887 0.015 2 301 179 36 TYR HB3 H 3.022 0.014 2 302 179 36 TYR CA C 62.433 0.044 1 303 179 36 TYR CB C 38.698 0.018 1 304 179 36 TYR N N 121.045 0.035 1 305 180 37 GLN H H 5.502 0.013 1 306 180 37 GLN HA H 4.232 0.007 1 307 180 37 GLN HB2 H 1.546 0.002 2 308 180 37 GLN HB3 H 1.773 0.002 2 309 180 37 GLN HG2 H 2.256 0.002 2 310 180 37 GLN HG3 H 2.348 0.001 2 311 180 37 GLN CA C 54.825 0.005 1 312 180 37 GLN CB C 31.901 0.002 1 313 180 37 GLN CG C 33.820 0.003 1 314 180 37 GLN N N 125.686 0.031 1 315 181 38 HIS H H 8.371 0.000 1 316 181 38 HIS N N 122.101 0.000 1 317 182 39 SER HA H 3.806 0.006 1 318 182 39 SER HB2 H 3.558 0.005 2 319 182 39 SER HB3 H 3.691 0.007 2 320 182 39 SER CA C 59.797 0.011 1 321 182 39 SER CB C 62.507 0.085 1 322 183 40 LYS H H 6.530 0.021 1 323 183 40 LYS HA H 3.949 0.012 1 324 183 40 LYS HB2 H 1.734 0.003 2 325 183 40 LYS HB3 H 1.734 0.003 2 326 183 40 LYS HG2 H 0.878 0.004 2 327 183 40 LYS HG3 H 0.878 0.004 2 328 183 40 LYS HD2 H 1.347 0.004 2 329 183 40 LYS HD3 H 1.487 0.003 2 330 183 40 LYS HE2 H 2.791 0.004 2 331 183 40 LYS HE3 H 2.791 0.004 2 332 183 40 LYS CA C 55.415 0.005 1 333 183 40 LYS CB C 34.043 0.005 1 334 183 40 LYS CG C 24.750 0.005 1 335 183 40 LYS CD C 28.781 0.002 1 336 183 40 LYS CE C 42.271 0.003 1 337 183 40 LYS N N 117.996 0.012 1 338 184 41 VAL H H 6.430 0.010 1 339 184 41 VAL HA H 3.117 0.012 1 340 184 41 VAL HB H 1.105 0.009 1 341 184 41 VAL HG1 H 0.811 0.010 2 342 184 41 VAL HG2 H 0.037 0.011 2 343 184 41 VAL CA C 64.678 0.033 1 344 184 41 VAL CB C 30.501 0.008 1 345 184 41 VAL CG1 C 22.211 0.015 1 346 184 41 VAL CG2 C 18.322 0.040 1 347 184 41 VAL N N 117.680 0.038 1 348 185 42 ASN H H 7.835 0.008 1 349 185 42 ASN HA H 4.430 0.009 1 350 185 42 ASN HB2 H 2.455 0.005 2 351 185 42 ASN HB3 H 2.515 0.012 2 352 185 42 ASN CA C 55.696 0.008 1 353 185 42 ASN CB C 37.472 0.009 1 354 185 42 ASN N N 118.200 0.088 1 355 186 43 GLN H H 7.423 0.009 1 356 186 43 GLN HA H 4.000 0.006 1 357 186 43 GLN HB2 H 1.948 0.004 2 358 186 43 GLN HB3 H 1.948 0.004 2 359 186 43 GLN CA C 57.807 0.005 1 360 186 43 GLN CB C 27.460 0.001 1 361 186 43 GLN N N 120.008 0.018 1 362 187 44 TRP H H 7.398 0.006 1 363 187 44 TRP HA H 4.458 0.006 1 364 187 44 TRP HB2 H 2.691 0.012 2 365 187 44 TRP HB3 H 3.359 0.013 2 366 187 44 TRP HD1 H 7.117 0.001 1 367 187 44 TRP HE1 H 9.989 0.008 1 368 187 44 TRP HE3 H 6.844 0.000 1 369 187 44 TRP HZ2 H 7.169 0.002 1 370 187 44 TRP HZ3 H 6.923 0.002 1 371 187 44 TRP HH2 H 7.433 0.009 1 372 187 44 TRP CA C 58.520 0.006 1 373 187 44 TRP CB C 28.481 0.035 1 374 187 44 TRP CZ2 C 114.607 0.012 1 375 187 44 TRP CZ3 C 124.809 0.015 1 376 187 44 TRP CH2 C 123.796 0.007 1 377 187 44 TRP NE1 N 128.759 0.043 1 378 188 45 THR H H 8.485 0.011 1 379 188 45 THR HA H 3.835 0.010 1 380 188 45 THR HB H 3.961 0.011 1 381 188 45 THR HG2 H 1.223 0.006 1 382 188 45 THR CA C 65.389 0.078 1 383 188 45 THR CB C 67.304 0.012 1 384 188 45 THR CG2 C 23.069 0.017 1 385 188 45 THR N N 109.998 0.008 1 386 189 46 THR H H 7.076 0.015 1 387 189 46 THR HA H 3.486 0.011 1 388 189 46 THR HB H 4.135 0.011 1 389 189 46 THR HG2 H 1.096 0.009 1 390 189 46 THR CA C 67.060 0.025 1 391 189 46 THR CB C 68.649 0.025 1 392 189 46 THR CG2 C 21.604 0.008 1 393 189 46 THR N N 117.101 0.002 1 394 190 47 ASN H H 8.316 0.005 1 395 190 47 ASN HA H 4.426 0.009 1 396 190 47 ASN HB2 H 2.778 0.017 2 397 190 47 ASN HB3 H 2.937 0.010 2 398 190 47 ASN CA C 56.117 0.013 1 399 190 47 ASN CB C 38.293 0.006 1 400 190 47 ASN N N 120.378 0.022 1 401 191 48 VAL H H 8.334 0.010 1 402 191 48 VAL HA H 3.209 0.011 1 403 191 48 VAL HB H 2.046 0.020 1 404 191 48 VAL HG1 H 0.554 0.004 2 405 191 48 VAL HG2 H 0.767 0.020 2 406 191 48 VAL CA C 67.338 0.022 1 407 191 48 VAL CB C 31.695 0.006 1 408 191 48 VAL CG1 C 21.999 0.004 1 409 191 48 VAL CG2 C 23.251 0.023 1 410 191 48 VAL N N 119.914 0.023 1 411 192 49 VAL H H 7.586 0.012 1 412 192 49 VAL HA H 3.203 0.014 1 413 192 49 VAL HB H 2.009 0.003 1 414 192 49 VAL HG1 H 0.638 0.011 2 415 192 49 VAL HG2 H 0.738 0.001 2 416 192 49 VAL CA C 67.255 0.014 1 417 192 49 VAL CB C 31.679 0.000 1 418 192 49 VAL CG1 C 21.150 0.002 1 419 192 49 VAL CG2 C 23.283 0.007 1 420 192 49 VAL N N 120.000 0.097 1 421 193 50 GLU H H 8.891 0.005 1 422 193 50 GLU HA H 4.436 0.004 1 423 193 50 GLU CA C 60.365 0.007 1 424 193 50 GLU CB C 29.819 0.008 1 425 193 50 GLU N N 118.710 0.030 1 426 194 51 GLN H H 8.559 0.010 1 427 194 51 GLN HA H 3.967 0.006 1 428 194 51 GLN HB2 H 1.848 0.006 2 429 194 51 GLN HB3 H 2.102 0.002 2 430 194 51 GLN HG2 H 2.281 0.002 2 431 194 51 GLN HG3 H 2.315 0.004 2 432 194 51 GLN CA C 59.086 0.006 1 433 194 51 GLN CB C 28.152 0.002 1 434 194 51 GLN CG C 34.011 0.001 1 435 194 51 GLN N N 119.000 0.000 1 436 195 52 THR H H 7.711 0.012 1 437 195 52 THR HA H 3.337 0.008 1 438 195 52 THR HB H 3.851 0.162 1 439 195 52 THR HG2 H 0.783 0.007 1 440 195 52 THR CA C 68.064 0.032 1 441 195 52 THR CB C 68.078 0.038 1 442 195 52 THR CG2 C 22.950 0.022 1 443 195 52 THR N N 115.406 0.012 1 444 196 53 LEU H H 8.088 0.009 1 445 196 53 LEU HA H 3.567 0.007 1 446 196 53 LEU HB2 H 1.119 0.004 2 447 196 53 LEU HB3 H 1.799 0.012 2 448 196 53 LEU HG H 0.655 0.003 1 449 196 53 LEU HD1 H 0.644 0.003 2 450 196 53 LEU HD2 H 0.644 0.003 2 451 196 53 LEU CA C 58.518 0.022 1 452 196 53 LEU CB C 42.223 0.059 1 453 196 53 LEU CG C 26.644 0.008 1 454 196 53 LEU CD1 C 25.128 0.031 1 455 196 53 LEU N N 119.013 0.016 1 456 197 54 SER H H 8.250 0.006 1 457 197 54 SER HA H 4.018 0.009 1 458 197 54 SER CA C 61.723 0.011 1 459 197 54 SER CB C 62.447 0.010 1 460 197 54 SER N N 114.299 0.003 1 461 198 55 GLN H H 7.875 0.013 1 462 198 55 GLN HA H 3.875 0.010 1 463 198 55 GLN HB2 H 1.808 0.002 2 464 198 55 GLN HB3 H 1.992 0.001 2 465 198 55 GLN HG2 H 2.323 0.003 2 466 198 55 GLN HG3 H 2.505 0.003 2 467 198 55 GLN CA C 58.328 0.005 1 468 198 55 GLN CB C 29.193 0.003 1 469 198 55 GLN CG C 33.851 0.002 1 470 198 55 GLN N N 118.442 0.145 1 471 199 56 LEU H H 8.259 0.007 1 472 199 56 LEU HA H 3.667 0.016 1 473 199 56 LEU HB2 H -0.229 0.004 2 474 199 56 LEU HB3 H 1.128 0.006 2 475 199 56 LEU HG H 0.109 0.005 1 476 199 56 LEU HD1 H 0.101 0.004 2 477 199 56 LEU HD2 H 0.338 0.006 2 478 199 56 LEU CA C 57.531 0.038 1 479 199 56 LEU CB C 39.881 0.015 1 480 199 56 LEU CG C 25.632 0.018 1 481 199 56 LEU CD1 C 25.469 0.000 1 482 199 56 LEU CD2 C 23.216 0.022 1 483 199 56 LEU N N 119.587 0.020 1 484 200 57 THR H H 7.962 0.010 1 485 200 57 THR HA H 3.885 0.007 1 486 200 57 THR HB H 3.748 0.010 1 487 200 57 THR HG2 H 0.366 0.006 1 488 200 57 THR CA C 65.352 0.019 1 489 200 57 THR CB C 68.888 0.023 1 490 200 57 THR CG2 C 20.546 0.004 1 491 200 57 THR N N 110.745 0.047 1 492 201 58 LYS H H 7.177 0.010 1 493 201 58 LYS HA H 3.999 0.010 1 494 201 58 LYS HB2 H 1.725 0.002 2 495 201 58 LYS HB3 H 1.854 0.002 2 496 201 58 LYS HG2 H 1.343 0.002 2 497 201 58 LYS HG3 H 1.509 0.002 2 498 201 58 LYS HD2 H 1.453 0.002 2 499 201 58 LYS HD3 H 1.525 0.002 2 500 201 58 LYS HE2 H 2.802 0.005 2 501 201 58 LYS HE3 H 2.922 0.004 2 502 201 58 LYS CA C 58.001 0.006 1 503 201 58 LYS CB C 32.323 0.031 1 504 201 58 LYS CG C 25.500 0.002 1 505 201 58 LYS CD C 29.160 0.002 1 506 201 58 LYS CE C 42.159 0.002 1 507 201 58 LYS N N 121.897 0.012 1 508 202 59 LEU H H 7.276 0.018 1 509 202 59 LEU HA H 4.047 0.011 1 510 202 59 LEU HB2 H 1.267 0.005 2 511 202 59 LEU HB3 H 2.003 0.006 2 512 202 59 LEU HG H 1.841 0.006 1 513 202 59 LEU HD1 H 0.666 0.010 2 514 202 59 LEU HD2 H 0.669 0.009 2 515 202 59 LEU CA C 56.516 0.021 1 516 202 59 LEU CB C 41.814 0.014 1 517 202 59 LEU CG C 26.045 0.003 1 518 202 59 LEU CD1 C 21.800 0.008 1 519 202 59 LEU CD2 C 25.501 0.018 1 520 202 59 LEU N N 116.504 0.014 1 521 203 60 GLY H H 7.587 0.010 1 522 203 60 GLY HA2 H 3.875 0.014 2 523 203 60 GLY HA3 H 3.875 0.014 2 524 203 60 GLY CA C 46.663 0.042 1 525 203 60 GLY N N 103.900 0.001 1 526 204 61 LYS H H 8.256 0.008 1 527 204 61 LYS CA C 54.203 0.000 1 528 204 61 LYS CB C 32.633 0.000 1 529 204 61 LYS N N 119.837 0.044 1 530 205 62 PRO HA H 4.336 0.006 1 531 205 62 PRO HB2 H 1.747 0.001 2 532 205 62 PRO HB3 H 2.161 0.001 2 533 205 62 PRO HG2 H 1.905 0.001 2 534 205 62 PRO HG3 H 1.905 0.001 2 535 205 62 PRO HD2 H 3.502 0.005 2 536 205 62 PRO HD3 H 3.502 0.005 2 537 205 62 PRO CA C 62.639 0.008 1 538 205 62 PRO CB C 32.148 0.001 1 539 205 62 PRO CG C 27.169 0.003 1 540 205 62 PRO CD C 49.780 0.004 1 541 206 63 PHE H H 8.086 0.007 1 542 206 63 PHE HA H 4.711 0.032 1 543 206 63 PHE HB2 H 1.931 0.002 2 544 206 63 PHE HB3 H 2.177 0.001 2 545 206 63 PHE HD1 H 6.676 0.004 1 546 206 63 PHE HD2 H 6.676 0.004 1 547 206 63 PHE CA C 57.697 0.020 1 548 206 63 PHE CB C 42.821 0.002 1 549 206 63 PHE CD1 C 132.023 0.000 1 550 206 63 PHE N N 124.100 0.001 1 551 207 64 LYS H H 8.642 0.010 1 552 207 64 LYS HA H 4.631 0.000 1 553 207 64 LYS CA C 55.933 0.001 1 554 207 64 LYS N N 116.605 0.024 1 555 208 65 TYR H H 8.896 0.010 1 556 208 65 TYR HA H 6.286 0.016 1 557 208 65 TYR HB2 H 2.448 0.009 2 558 208 65 TYR HB3 H 2.795 0.007 2 559 208 65 TYR CA C 56.638 0.073 1 560 208 65 TYR CB C 44.652 0.008 1 561 208 65 TYR N N 115.600 0.001 1 562 209 66 ILE H H 8.749 0.012 1 563 209 66 ILE HA H 4.401 0.008 1 564 209 66 ILE HB H 1.387 0.005 1 565 209 66 ILE HG12 H 0.892 0.004 2 566 209 66 ILE HG13 H 1.207 0.002 2 567 209 66 ILE HG2 H -0.278 0.004 1 568 209 66 ILE HD1 H 0.560 0.006 1 569 209 66 ILE CA C 60.749 0.032 1 570 209 66 ILE CB C 41.979 0.014 1 571 209 66 ILE CG1 C 28.031 0.009 1 572 209 66 ILE CG2 C 16.581 0.028 1 573 209 66 ILE CD1 C 15.545 0.491 1 574 209 66 ILE N N 121.323 0.027 1 575 210 67 VAL H H 8.397 0.007 1 576 210 67 VAL HA H 5.258 0.010 1 577 210 67 VAL HB H 1.597 0.009 1 578 210 67 VAL HG1 H 0.710 0.005 2 579 210 67 VAL HG2 H 0.780 0.001 2 580 210 67 VAL CA C 60.526 0.021 1 581 210 67 VAL CB C 35.976 0.035 1 582 210 67 VAL CG1 C 21.543 0.007 1 583 210 67 VAL CG2 C 22.515 0.002 1 584 210 67 VAL N N 125.399 0.016 1 585 211 68 THR H H 9.103 0.012 1 586 211 68 THR HA H 5.175 0.011 1 587 211 68 THR HB H 4.281 0.011 1 588 211 68 THR HG2 H 1.144 0.004 1 589 211 68 THR CA C 59.125 0.066 1 590 211 68 THR CB C 71.016 0.071 1 591 211 68 THR CG2 C 20.989 0.012 1 592 211 68 THR N N 116.302 0.008 1 593 212 69 CYS H H 9.162 0.084 1 594 212 69 CYS HA H 5.173 0.010 1 595 212 69 CYS HB2 H 2.580 0.104 2 596 212 69 CYS HB3 H 2.797 0.051 2 597 212 69 CYS CA C 57.261 0.055 1 598 212 69 CYS CB C 30.475 0.149 1 599 212 69 CYS N N 122.348 0.059 1 600 213 70 VAL H H 8.965 0.008 1 601 213 70 VAL HA H 4.882 0.015 1 602 213 70 VAL HB H 2.125 0.024 1 603 213 70 VAL HG1 H 0.898 0.002 2 604 213 70 VAL HG2 H 1.004 0.012 2 605 213 70 VAL CA C 60.733 0.053 1 606 213 70 VAL CB C 35.229 0.022 1 607 213 70 VAL CG1 C 21.439 0.009 1 608 213 70 VAL CG2 C 21.439 0.009 1 609 213 70 VAL N N 130.904 0.011 1 610 214 71 ILE H H 9.613 0.008 1 611 214 71 ILE HA H 5.185 0.009 1 612 214 71 ILE HB H 1.559 0.010 1 613 214 71 ILE HG12 H 0.987 0.004 2 614 214 71 ILE HG13 H 1.692 0.002 2 615 214 71 ILE HG2 H 1.020 0.003 1 616 214 71 ILE HD1 H 0.855 0.010 1 617 214 71 ILE CA C 61.064 0.033 1 618 214 71 ILE CB C 41.823 0.032 1 619 214 71 ILE CG1 C 29.204 0.011 1 620 214 71 ILE CG2 C 17.817 0.026 1 621 214 71 ILE CD1 C 14.021 0.028 1 622 214 71 ILE N N 125.698 0.004 1 623 215 72 MET H H 8.807 0.003 1 624 215 72 MET HA H 5.327 0.005 1 625 215 72 MET CA C 53.131 0.013 1 626 215 72 MET CB C 31.704 0.005 1 627 215 72 MET CG C 31.543 0.000 1 628 215 72 MET CE C 18.280 0.000 1 629 215 72 MET N N 126.397 0.007 1 630 216 73 GLN H H 8.272 0.003 1 631 216 73 GLN HA H 3.941 0.006 1 632 216 73 GLN HB2 H 1.847 0.001 2 633 216 73 GLN HB3 H 1.923 0.001 2 634 216 73 GLN HG2 H 2.209 0.003 2 635 216 73 GLN HG3 H 2.209 0.003 2 636 216 73 GLN CA C 55.677 0.054 1 637 216 73 GLN CB C 28.737 0.019 1 638 216 73 GLN CG C 34.039 0.002 1 639 216 73 GLN N N 127.607 0.025 1 640 217 74 LYS H H 8.067 0.006 1 641 217 74 LYS HA H 4.250 0.000 1 642 217 74 LYS CA C 57.002 0.002 1 643 217 74 LYS CB C 33.821 0.000 1 644 217 74 LYS N N 127.268 0.044 1 645 218 75 ASN H H 8.053 0.000 1 646 218 75 ASN HA H 4.473 0.008 1 647 218 75 ASN HB2 H 2.462 0.017 2 648 218 75 ASN HB3 H 2.548 0.015 2 649 218 75 ASN CA C 53.989 0.010 1 650 218 75 ASN CB C 41.190 0.001 1 651 219 76 GLY H H 7.979 0.006 1 652 219 76 GLY HA2 H 3.582 0.004 2 653 219 76 GLY HA3 H 3.582 0.004 2 654 219 76 GLY CA C 45.310 0.010 1 655 219 76 GLY N N 105.197 0.006 1 656 220 77 ALA H H 7.669 0.008 1 657 220 77 ALA HA H 4.290 0.009 1 658 220 77 ALA HB H 1.459 0.006 1 659 220 77 ALA CA C 52.040 0.043 1 660 220 77 ALA CB C 19.532 0.007 1 661 220 77 ALA N N 123.500 0.001 1 662 221 78 GLY H H 8.425 0.005 1 663 221 78 GLY HA2 H 3.827 0.005 2 664 221 78 GLY HA3 H 3.827 0.005 2 665 221 78 GLY CA C 45.041 0.017 1 666 221 78 GLY N N 109.300 0.000 1 667 222 79 LEU HA H 4.924 0.014 1 668 222 79 LEU HB2 H 1.453 0.010 2 669 222 79 LEU HB3 H 1.917 0.002 2 670 222 79 LEU HD1 H 0.752 0.003 2 671 222 79 LEU HD2 H 0.899 0.004 2 672 222 79 LEU CA C 54.264 0.060 1 673 222 79 LEU CB C 44.995 0.008 1 674 222 79 LEU CG C 27.924 0.041 1 675 222 79 LEU CD1 C 26.023 0.038 1 676 222 79 LEU CD2 C 23.244 0.032 1 677 223 80 HIS H H 8.764 0.002 1 678 223 80 HIS CA C 59.357 0.000 1 679 223 80 HIS N N 124.868 0.043 1 680 224 81 THR H H 8.847 0.542 1 681 224 81 THR HA H 5.935 0.011 1 682 224 81 THR HB H 4.276 0.005 1 683 224 81 THR HG2 H 1.104 0.014 1 684 224 81 THR CA C 59.448 0.033 1 685 224 81 THR CB C 71.886 0.083 1 686 224 81 THR CG2 C 22.348 0.009 1 687 224 81 THR N N 113.256 0.867 1 688 225 82 ALA H H 9.006 0.015 1 689 225 82 ALA HA H 5.563 0.009 1 690 225 82 ALA HB H 1.248 0.006 1 691 225 82 ALA CA C 51.249 0.054 1 692 225 82 ALA CB C 22.716 0.014 1 693 225 82 ALA N N 122.627 0.163 1 694 226 83 SER H H 8.630 0.024 1 695 226 83 SER HA H 5.458 0.011 1 696 226 83 SER HB2 H 3.863 0.007 2 697 226 83 SER HB3 H 3.980 0.013 2 698 226 83 SER CA C 57.062 0.023 1 699 226 83 SER CB C 67.000 0.001 1 700 226 83 SER N N 112.176 0.142 1 701 227 84 SER H H 8.523 0.011 1 702 227 84 SER HA H 4.332 0.012 1 703 227 84 SER HB2 H 3.044 0.003 2 704 227 84 SER HB3 H 4.023 0.005 2 705 227 84 SER CA C 56.853 0.019 1 706 227 84 SER CB C 63.176 0.004 1 707 227 84 SER N N 111.500 0.000 1 708 228 85 CYS H H 7.801 0.006 1 709 228 85 CYS HA H 5.271 0.010 1 710 228 85 CYS HB2 H 2.123 0.008 2 711 228 85 CYS HB3 H 2.830 0.005 2 712 228 85 CYS CA C 54.392 0.116 1 713 228 85 CYS CB C 33.183 0.025 1 714 228 85 CYS N N 115.201 0.003 1 715 229 86 PHE H H 9.337 0.008 1 716 229 86 PHE HA H 5.209 0.009 1 717 229 86 PHE HB2 H 2.939 0.004 2 718 229 86 PHE HB3 H 3.146 0.021 2 719 229 86 PHE CA C 57.497 0.027 1 720 229 86 PHE CB C 41.402 0.005 1 721 229 86 PHE N N 124.294 0.020 1 722 230 87 TRP H H 8.987 0.013 1 723 230 87 TRP HA H 5.348 0.011 1 724 230 87 TRP HB2 H 2.844 0.002 2 725 230 87 TRP HB3 H 3.221 0.001 2 726 230 87 TRP HD1 H 7.393 0.000 1 727 230 87 TRP HE1 H 10.017 0.014 1 728 230 87 TRP HZ2 H 7.437 0.005 1 729 230 87 TRP HZ3 H 7.016 0.003 1 730 230 87 TRP HH2 H 7.014 0.008 1 731 230 87 TRP CA C 54.516 0.007 1 732 230 87 TRP CB C 31.542 0.002 1 733 230 87 TRP CZ2 C 114.590 0.017 1 734 230 87 TRP CZ3 C 124.085 0.021 1 735 230 87 TRP CH2 C 122.397 0.006 1 736 230 87 TRP N N 122.505 0.012 1 737 230 87 TRP NE1 N 127.605 0.034 1 738 231 88 ASP H H 8.577 0.005 1 739 231 88 ASP HA H 4.998 0.005 1 740 231 88 ASP HB2 H 1.923 0.006 2 741 231 88 ASP HB3 H 2.930 0.010 2 742 231 88 ASP CA C 52.307 0.094 1 743 231 88 ASP CB C 41.355 0.047 1 744 231 88 ASP N N 119.500 0.001 1 745 232 89 SER H H 8.700 0.008 1 746 232 89 SER HA H 4.693 0.010 1 747 232 89 SER HB2 H 3.591 0.009 2 748 232 89 SER HB3 H 3.970 0.000 2 749 232 89 SER CA C 60.399 0.034 1 750 232 89 SER CB C 63.253 0.006 1 751 232 89 SER N N 121.024 0.041 1 752 233 90 SER H H 8.644 0.007 1 753 233 90 SER HA H 4.315 0.008 1 754 233 90 SER HB2 H 3.899 0.005 2 755 233 90 SER HB3 H 3.899 0.005 2 756 233 90 SER CA C 60.749 0.040 1 757 233 90 SER CB C 63.593 0.100 1 758 233 90 SER N N 117.053 0.058 1 759 234 91 THR H H 6.874 0.010 1 760 234 91 THR HA H 4.455 0.007 1 761 234 91 THR HB H 4.067 0.007 1 762 234 91 THR HG2 H 0.930 0.013 1 763 234 91 THR CA C 62.234 0.055 1 764 234 91 THR CB C 71.447 0.025 1 765 234 91 THR CG2 C 20.694 0.009 1 766 234 91 THR N N 109.501 0.002 1 767 235 92 ASP H H 7.741 0.017 1 768 235 92 ASP HA H 4.729 0.006 1 769 235 92 ASP HB2 H 2.333 0.011 2 770 235 92 ASP HB3 H 2.807 0.010 2 771 235 92 ASP CA C 54.146 0.010 1 772 235 92 ASP CB C 41.261 0.006 1 773 235 92 ASP N N 124.875 0.088 1 774 236 93 GLY H H 7.956 0.008 1 775 236 93 GLY HA2 H 4.022 0.008 2 776 236 93 GLY HA3 H 4.022 0.008 2 777 236 93 GLY CA C 45.353 0.004 1 778 236 93 GLY N N 105.149 0.048 1 779 237 94 SER H H 8.233 0.008 1 780 237 94 SER HA H 5.168 0.013 1 781 237 94 SER HB2 H 3.365 0.007 2 782 237 94 SER HB3 H 3.848 0.003 2 783 237 94 SER CA C 56.572 0.007 1 784 237 94 SER CB C 68.249 0.092 1 785 237 94 SER N N 111.497 0.008 1 786 238 95 CYS H H 8.706 0.009 1 787 238 95 CYS HA H 4.731 0.004 1 788 238 95 CYS HB2 H 2.668 0.004 2 789 238 95 CYS HB3 H 2.825 0.006 2 790 238 95 CYS CA C 57.240 0.040 1 791 238 95 CYS CB C 30.801 0.040 1 792 238 95 CYS N N 116.903 0.013 1 793 239 96 THR H H 8.561 0.013 1 794 239 96 THR HA H 5.108 0.011 1 795 239 96 THR HB H 3.674 0.007 1 796 239 96 THR HG2 H 0.814 0.004 1 797 239 96 THR CA C 62.371 0.091 1 798 239 96 THR CB C 71.331 0.028 1 799 239 96 THR CG2 C 20.452 0.048 1 800 239 96 THR N N 122.094 0.008 1 801 240 97 VAL H H 9.449 0.006 1 802 240 97 VAL HA H 4.218 0.009 1 803 240 97 VAL HB H 1.739 0.010 1 804 240 97 VAL HG1 H 0.802 0.007 2 805 240 97 VAL HG2 H 0.846 0.004 2 806 240 97 VAL CA C 61.431 0.022 1 807 240 97 VAL CB C 35.321 0.027 1 808 240 97 VAL CG1 C 21.497 0.002 1 809 240 97 VAL CG2 C 21.497 0.002 1 810 240 97 VAL N N 129.451 0.031 1 811 241 98 ARG H H 8.455 0.009 1 812 241 98 ARG HA H 5.079 0.008 1 813 241 98 ARG HB2 H 1.718 0.001 2 814 241 98 ARG HB3 H 1.718 0.001 2 815 241 98 ARG HG2 H 1.479 0.003 2 816 241 98 ARG HG3 H 1.591 0.001 2 817 241 98 ARG HD2 H 2.930 0.004 2 818 241 98 ARG HD3 H 3.042 0.003 2 819 241 98 ARG CA C 54.035 0.021 1 820 241 98 ARG CB C 32.611 0.011 1 821 241 98 ARG CG C 26.701 0.003 1 822 241 98 ARG CD C 43.912 0.002 1 823 241 98 ARG N N 125.494 0.013 1 824 242 99 TRP H H 9.304 0.007 1 825 242 99 TRP HA H 4.726 0.002 1 826 242 99 TRP HB2 H 2.865 0.006 2 827 242 99 TRP HB3 H 2.951 0.014 2 828 242 99 TRP HD1 H 7.204 0.000 1 829 242 99 TRP HE1 H 10.368 0.014 1 830 242 99 TRP HE3 H 7.431 0.007 1 831 242 99 TRP HZ2 H 7.317 0.004 1 832 242 99 TRP HZ3 H 6.981 0.000 1 833 242 99 TRP HH2 H 7.086 0.005 1 834 242 99 TRP CA C 57.786 0.010 1 835 242 99 TRP CB C 34.452 0.007 1 836 242 99 TRP CE3 C 124.209 0.009 1 837 242 99 TRP CZ2 C 113.896 0.006 1 838 242 99 TRP CZ3 C 124.600 0.000 1 839 242 99 TRP CH2 C 123.904 0.006 1 840 242 99 TRP N N 128.068 0.045 1 841 242 99 TRP NE1 N 130.099 0.011 1 842 243 100 GLU H H 7.468 0.008 1 843 243 100 GLU HA H 5.045 0.008 1 844 243 100 GLU HB2 H 1.879 0.009 2 845 243 100 GLU HB3 H 1.976 0.005 2 846 243 100 GLU CA C 54.811 0.008 1 847 243 100 GLU CB C 35.406 0.004 1 848 243 100 GLU N N 123.736 0.044 1 849 244 101 ASN H H 8.380 0.004 1 850 244 101 ASN HA H 4.287 0.011 1 851 244 101 ASN HB2 H 2.490 0.005 2 852 244 101 ASN HB3 H 3.302 0.000 2 853 244 101 ASN CA C 50.652 0.010 1 854 244 101 ASN CB C 38.872 0.003 1 855 244 101 ASN N N 122.099 0.037 1 856 245 102 LYS H H 8.342 0.002 1 857 245 102 LYS HA H 3.881 0.006 1 858 245 102 LYS HB2 H 1.802 0.002 2 859 245 102 LYS HB3 H 1.848 0.001 2 860 245 102 LYS HG2 H 1.357 0.005 2 861 245 102 LYS HG3 H 1.468 0.003 2 862 245 102 LYS HD2 H 1.620 0.004 2 863 245 102 LYS HD3 H 1.620 0.004 2 864 245 102 LYS HE2 H 2.909 0.001 2 865 245 102 LYS HE3 H 2.909 0.001 2 866 245 102 LYS CA C 60.312 0.009 1 867 245 102 LYS CB C 32.669 0.006 1 868 245 102 LYS CG C 25.483 0.006 1 869 245 102 LYS CD C 29.142 0.004 1 870 245 102 LYS CE C 42.261 0.004 1 871 246 103 THR H H 7.679 0.011 1 872 246 103 THR HA H 4.778 0.005 1 873 246 103 THR HB H 4.664 0.001 1 874 246 103 THR HG2 H 1.264 0.005 1 875 246 103 THR CA C 61.688 0.007 1 876 246 103 THR CB C 72.207 0.006 1 877 246 103 THR CG2 C 21.567 0.004 1 878 246 103 THR N N 101.100 0.001 1 879 247 104 MET H H 8.292 0.007 1 880 247 104 MET HA H 5.267 0.012 1 881 247 104 MET HB2 H 1.928 0.002 2 882 247 104 MET HB3 H 2.178 0.006 2 883 247 104 MET HG2 H 2.478 0.001 2 884 247 104 MET HG3 H 2.560 0.000 2 885 247 104 MET CA C 56.176 0.028 1 886 247 104 MET CB C 39.103 0.014 1 887 247 104 MET CG C 34.124 0.010 1 888 247 104 MET N N 122.951 0.059 1 889 248 105 TYR H H 8.489 0.013 1 890 248 105 TYR HA H 5.098 0.010 1 891 248 105 TYR CA C 55.711 0.010 1 892 248 105 TYR N N 118.100 0.000 1 893 249 106 CYS H H 9.406 0.009 1 894 249 106 CYS HA H 5.783 0.015 1 895 249 106 CYS HB2 H 2.585 0.014 2 896 249 106 CYS HB3 H 2.727 0.001 2 897 249 106 CYS CA C 56.629 0.039 1 898 249 106 CYS CB C 30.569 0.009 1 899 249 106 CYS N N 123.098 0.007 1 900 250 107 ILE H H 9.102 0.010 1 901 250 107 ILE HA H 5.180 0.007 1 902 250 107 ILE HB H 1.545 0.002 1 903 250 107 ILE HG12 H 0.944 0.000 2 904 250 107 ILE HG13 H 1.641 0.003 2 905 250 107 ILE HG2 H 0.725 0.001 1 906 250 107 ILE HD1 H 0.833 0.002 1 907 250 107 ILE CA C 60.058 0.095 1 908 250 107 ILE CB C 42.360 0.007 1 909 250 107 ILE CG1 C 28.479 0.002 1 910 250 107 ILE CG2 C 18.096 0.003 1 911 250 107 ILE CD1 C 16.358 0.018 1 912 250 107 ILE N N 126.943 0.044 1 913 251 108 VAL H H 9.051 0.004 1 914 251 108 VAL HA H 5.145 0.008 1 915 251 108 VAL HB H 1.605 0.003 1 916 251 108 VAL HG1 H 0.754 0.012 2 917 251 108 VAL HG2 H 0.799 0.006 2 918 251 108 VAL CA C 60.085 0.044 1 919 251 108 VAL CB C 34.564 0.080 1 920 251 108 VAL CG1 C 21.507 0.007 1 921 251 108 VAL CG2 C 24.024 0.027 1 922 251 108 VAL N N 129.881 0.012 1 923 252 109 SER H H 8.572 0.009 1 924 252 109 SER HA H 5.308 0.009 1 925 252 109 SER HB2 H 3.336 0.004 2 926 252 109 SER HB3 H 3.731 0.010 2 927 252 109 SER CA C 56.795 0.036 1 928 252 109 SER CB C 65.089 0.022 1 929 252 109 SER N N 121.903 0.025 1 930 253 110 ALA H H 8.646 0.006 1 931 253 110 ALA HA H 5.406 0.011 1 932 253 110 ALA HB H 0.976 0.009 1 933 253 110 ALA CA C 49.635 0.029 1 934 253 110 ALA CB C 21.718 0.008 1 935 253 110 ALA N N 124.803 0.018 1 936 254 111 PHE H H 9.329 0.005 1 937 254 111 PHE HA H 4.952 0.011 1 938 254 111 PHE HB2 H 2.806 0.005 2 939 254 111 PHE HB3 H 2.861 0.022 2 940 254 111 PHE CA C 56.064 0.034 1 941 254 111 PHE CB C 42.618 0.007 1 942 254 111 PHE N N 119.496 0.013 1 943 255 112 GLY H H 8.954 0.009 1 944 255 112 GLY HA2 H 2.893 0.005 2 945 255 112 GLY HA3 H 2.893 0.005 2 946 255 112 GLY CA C 45.208 0.006 1 947 255 112 GLY N N 109.702 0.006 1 948 256 113 LEU H H 8.927 0.007 1 949 256 113 LEU HA H 4.768 0.010 1 950 256 113 LEU HB2 H 1.518 0.016 2 951 256 113 LEU HB3 H 1.706 0.073 2 952 256 113 LEU HG H 1.842 0.004 1 953 256 113 LEU HD1 H 0.988 0.005 2 954 256 113 LEU HD2 H 1.090 0.008 2 955 256 113 LEU CA C 52.470 0.010 1 956 256 113 LEU CB C 42.493 0.044 1 957 256 113 LEU CG C 28.922 0.030 1 958 256 113 LEU CD1 C 26.614 0.022 1 959 256 113 LEU CD2 C 24.900 0.006 1 960 256 113 LEU N N 126.100 0.001 1 961 257 114 SER H H 9.275 0.007 1 962 257 114 SER HA H 3.618 0.007 1 963 257 114 SER HB2 H 3.503 0.012 2 964 257 114 SER HB3 H 3.606 0.003 2 965 257 114 SER CA C 58.523 0.044 1 966 257 114 SER CB C 63.185 0.031 1 967 257 114 SER N N 119.998 0.005 1 968 258 115 ILE H H 7.680 0.010 1 969 258 115 ILE HA H 4.072 0.018 1 970 258 115 ILE HB H 1.748 0.022 1 971 258 115 ILE HG12 H 1.071 0.004 2 972 258 115 ILE HG13 H 1.329 0.005 2 973 258 115 ILE HG2 H 0.786 0.007 1 974 258 115 ILE HD1 H 0.768 0.005 1 975 258 115 ILE CA C 62.011 0.010 1 976 258 115 ILE CB C 38.580 0.008 1 977 258 115 ILE CG1 C 26.909 0.003 1 978 258 115 ILE CG2 C 18.215 0.022 1 979 258 115 ILE CD1 C 12.595 0.000 1 980 258 115 ILE N N 122.165 0.044 1 981 259 116 GLY H H 8.148 0.012 1 982 259 116 GLY HA2 H 3.863 0.014 2 983 259 116 GLY HA3 H 3.863 0.014 2 984 259 116 GLY CA C 45.001 0.007 1 985 259 116 GLY N N 110.200 0.002 1 986 260 117 GLY H H 8.179 0.003 1 987 260 117 GLY HA2 H 3.849 0.005 2 988 260 117 GLY HA3 H 3.849 0.005 2 989 260 117 GLY CA C 45.146 0.004 1 990 260 117 GLY N N 108.682 0.035 1 991 261 118 GLY H H 8.318 0.003 1 992 261 118 GLY HA2 H 3.830 0.006 2 993 261 118 GLY HA3 H 3.830 0.006 2 994 261 118 GLY CA C 45.220 0.010 1 995 261 118 GLY N N 108.703 0.006 1 996 262 119 SER H H 8.290 0.006 1 997 262 119 SER HA H 4.698 0.001 1 998 262 119 SER HB2 H 3.750 0.001 2 999 262 119 SER HB3 H 3.793 0.001 2 1000 262 119 SER CA C 58.512 0.008 1 1001 262 119 SER CB C 63.727 0.002 1 1002 262 119 SER N N 115.703 0.006 1 1003 263 120 GLY H H 8.430 0.007 1 1004 263 120 GLY CA C 45.477 0.004 1 1005 263 120 GLY N N 110.798 0.007 1 1006 264 121 GLN H H 8.039 0.006 1 1007 264 121 GLN HA H 4.259 0.012 1 1008 264 121 GLN HB2 H 1.849 0.003 2 1009 264 121 GLN HB3 H 2.034 0.002 2 1010 264 121 GLN HG2 H 2.210 0.001 2 1011 264 121 GLN HG3 H 2.226 0.006 2 1012 264 121 GLN CA C 56.000 0.004 1 1013 264 121 GLN CB C 29.113 0.010 1 1014 264 121 GLN CG C 33.839 0.001 1 1015 264 121 GLN N N 119.803 0.007 1 1016 265 122 SER H H 7.992 0.001 1 1017 265 122 SER HA H 4.402 0.001 1 1018 265 122 SER HB2 H 3.742 0.001 2 1019 265 122 SER HB3 H 3.789 0.001 2 1020 265 122 SER CA C 58.271 0.008 1 1021 265 122 SER CB C 63.843 0.044 1 1022 266 123 GLY H H 7.948 0.008 1 1023 266 123 GLY HA2 H 3.973 0.009 2 1024 266 123 GLY HA3 H 4.031 0.007 2 1025 266 123 GLY CA C 44.376 0.004 1 1026 266 123 GLY N N 110.673 0.045 1 1027 267 124 PRO HA H 4.344 0.007 1 1028 267 124 PRO HB2 H 1.756 0.002 2 1029 267 124 PRO HB3 H 2.161 0.004 2 1030 267 124 PRO HG2 H 1.907 0.005 2 1031 267 124 PRO HG3 H 1.907 0.005 2 1032 267 124 PRO HD2 H 3.505 0.005 2 1033 267 124 PRO HD3 H 3.505 0.005 2 1034 267 124 PRO CA C 62.777 0.024 1 1035 267 124 PRO CB C 31.960 0.004 1 1036 267 124 PRO CG C 27.162 0.005 1 1037 267 124 PRO CD C 49.771 0.004 1 1038 268 125 ILE H H 8.178 0.007 1 1039 268 125 ILE HA H 3.960 0.011 1 1040 268 125 ILE HB H 1.667 0.008 1 1041 268 125 ILE HG12 H 1.029 0.002 2 1042 268 125 ILE HG13 H 1.388 0.003 2 1043 268 125 ILE HG2 H 0.723 0.001 1 1044 268 125 ILE HD1 H 0.723 0.006 1 1045 268 125 ILE CA C 61.233 0.034 1 1046 268 125 ILE CB C 38.590 0.010 1 1047 268 125 ILE CG1 C 27.406 0.002 1 1048 268 125 ILE CG2 C 17.358 0.004 1 1049 268 125 ILE CD1 C 13.496 0.006 1 1050 268 125 ILE N N 122.096 0.098 1 1051 269 126 LYS H H 8.351 0.007 1 1052 269 126 LYS HA H 4.352 0.009 1 1053 269 126 LYS HB2 H 1.600 0.003 2 1054 269 126 LYS HB3 H 1.733 0.006 2 1055 269 126 LYS HG2 H 1.252 0.003 2 1056 269 126 LYS HG3 H 1.328 0.002 2 1057 269 126 LYS HD2 H 1.609 0.002 2 1058 269 126 LYS HD3 H 1.609 0.002 2 1059 269 126 LYS HE2 H 2.921 0.005 2 1060 269 126 LYS HE3 H 2.921 0.005 2 1061 269 126 LYS CA C 55.220 0.004 1 1062 269 126 LYS CB C 32.660 0.003 1 1063 269 126 LYS CG C 24.511 0.002 1 1064 269 126 LYS CD C 29.087 0.005 1 1065 269 126 LYS CE C 42.157 0.004 1 1066 269 126 LYS N N 128.101 0.004 1 1067 270 127 LEU H H 8.003 0.009 1 1068 270 127 LEU HA H 4.531 0.008 1 1069 270 127 LEU HB2 H 0.245 0.005 2 1070 270 127 LEU HB3 H 1.264 0.007 2 1071 270 127 LEU HG H 1.345 0.007 1 1072 270 127 LEU HD1 H 0.427 0.074 2 1073 270 127 LEU HD2 H 0.712 0.003 2 1074 270 127 LEU CA C 53.071 0.047 1 1075 270 127 LEU CB C 43.054 0.019 1 1076 270 127 LEU CG C 26.903 0.016 1 1077 270 127 LEU CD1 C 24.088 0.012 1 1078 270 127 LEU CD2 C 26.396 0.009 1 1079 270 127 LEU N N 124.204 0.010 1 1080 271 128 GLY H H 8.713 0.006 1 1081 271 128 GLY HA2 H 3.962 0.008 2 1082 271 128 GLY HA3 H 4.348 0.013 2 1083 271 128 GLY CA C 45.075 0.007 1 1084 271 128 GLY N N 107.602 0.006 1 1085 272 129 MET H H 8.710 0.007 1 1086 272 129 MET HA H 5.272 0.005 1 1087 272 129 MET HB2 H 2.096 0.003 2 1088 272 129 MET HB3 H 2.096 0.003 2 1089 272 129 MET HG2 H 2.828 0.004 2 1090 272 129 MET HG3 H 2.828 0.004 2 1091 272 129 MET CA C 54.607 0.005 1 1092 272 129 MET CB C 33.189 0.003 1 1093 272 129 MET CG C 33.183 0.011 1 1094 272 129 MET N N 118.699 0.002 1 1095 273 130 ALA H H 8.395 0.007 1 1096 273 130 ALA HA H 4.539 0.012 1 1097 273 130 ALA HB H 0.986 0.006 1 1098 273 130 ALA CA C 50.938 0.214 1 1099 273 130 ALA CB C 20.278 0.007 1 1100 273 130 ALA N N 127.483 0.045 1 1101 274 131 LYS H H 8.242 0.005 1 1102 274 131 LYS HA H 4.258 0.006 1 1103 274 131 LYS HB2 H 1.776 0.002 2 1104 274 131 LYS HB3 H 1.776 0.002 2 1105 274 131 LYS HG2 H 1.430 0.001 2 1106 274 131 LYS HG3 H 1.471 0.002 2 1107 274 131 LYS HD2 H 1.684 0.001 2 1108 274 131 LYS HD3 H 1.684 0.001 2 1109 274 131 LYS HE2 H 3.003 0.004 2 1110 274 131 LYS HE3 H 3.003 0.004 2 1111 274 131 LYS CA C 56.390 0.021 1 1112 274 131 LYS CB C 32.611 0.004 1 1113 274 131 LYS CG C 24.669 0.002 1 1114 274 131 LYS CD C 29.431 0.004 1 1115 274 131 LYS CE C 42.320 0.005 1 1116 274 131 LYS N N 119.543 0.082 1 1117 275 132 ILE H H 8.710 0.009 1 1118 275 132 ILE HA H 4.398 0.011 1 1119 275 132 ILE HB H 1.895 0.006 1 1120 275 132 ILE HG12 H 1.140 0.006 2 1121 275 132 ILE HG13 H 1.608 0.009 2 1122 275 132 ILE HG2 H 0.789 0.006 1 1123 275 132 ILE HD1 H 0.833 0.006 1 1124 275 132 ILE CA C 60.985 0.030 1 1125 275 132 ILE CB C 37.980 0.040 1 1126 275 132 ILE CG1 C 27.996 0.008 1 1127 275 132 ILE CG2 C 18.017 0.029 1 1128 275 132 ILE CD1 C 13.419 0.023 1 1129 275 132 ILE N N 125.690 0.031 1 1130 276 133 THR H H 8.120 0.008 1 1131 276 133 THR HA H 4.431 0.008 1 1132 276 133 THR HB H 4.002 0.013 1 1133 276 133 THR HG2 H 1.053 0.004 1 1134 276 133 THR CA C 62.713 0.043 1 1135 276 133 THR CB C 69.734 0.122 1 1136 276 133 THR CG2 C 20.751 0.007 1 1137 276 133 THR N N 121.801 0.002 1 1138 277 134 GLN H H 8.992 0.009 1 1139 277 134 GLN HA H 5.184 0.012 1 1140 277 134 GLN HB2 H 1.915 0.005 2 1141 277 134 GLN HB3 H 2.017 0.002 2 1142 277 134 GLN HG2 H 2.108 0.001 2 1143 277 134 GLN HG3 H 2.213 0.003 2 1144 277 134 GLN CA C 54.773 0.009 1 1145 277 134 GLN CB C 33.049 0.002 1 1146 277 134 GLN CG C 34.929 0.003 1 1147 277 134 GLN N N 127.560 0.052 1 1148 278 135 VAL H H 8.198 0.005 1 1149 278 135 VAL HA H 3.953 0.006 1 1150 278 135 VAL HB H 1.971 0.001 1 1151 278 135 VAL HG1 H 0.524 0.008 2 1152 278 135 VAL HG2 H 0.630 0.008 2 1153 278 135 VAL CA C 62.589 0.005 1 1154 278 135 VAL CB C 33.443 0.004 1 1155 278 135 VAL CG1 C 22.002 0.003 1 1156 278 135 VAL CG2 C 22.000 0.005 1 1157 278 135 VAL N N 123.297 0.031 1 1158 279 136 ASP H H 8.279 0.008 1 1159 279 136 ASP HA H 5.167 0.010 1 1160 279 136 ASP HB2 H 2.482 0.007 2 1161 279 136 ASP HB3 H 2.583 0.008 2 1162 279 136 ASP CA C 53.298 0.014 1 1163 279 136 ASP CB C 45.261 0.035 1 1164 279 136 ASP N N 126.000 0.001 1 1165 280 137 PHE H H 8.877 0.013 1 1166 280 137 PHE HA H 4.857 0.011 1 1167 280 137 PHE HB2 H 2.465 0.000 2 1168 280 137 PHE HB3 H 2.625 0.012 2 1169 280 137 PHE CA C 54.589 0.009 1 1170 280 137 PHE CB C 40.000 0.000 1 1171 280 137 PHE N N 125.108 0.016 1 1172 283 140 ARG H H 8.334 0.001 1 1173 283 140 ARG HA H 4.282 0.001 1 1174 283 140 ARG HB2 H 1.643 0.001 2 1175 283 140 ARG HB3 H 1.740 0.001 2 1176 283 140 ARG HG2 H 1.517 0.004 2 1177 283 140 ARG HG3 H 1.567 0.001 2 1178 283 140 ARG HD2 H 3.090 0.003 2 1179 283 140 ARG HD3 H 3.090 0.003 2 1180 283 140 ARG CA C 55.768 0.003 1 1181 283 140 ARG CB C 32.003 0.003 1 1182 283 140 ARG CG C 26.610 0.001 1 1183 283 140 ARG CD C 43.669 0.002 1 1184 284 141 GLU H H 8.347 0.007 1 1185 284 141 GLU HA H 4.155 0.004 1 1186 284 141 GLU HB2 H 1.832 0.003 2 1187 284 141 GLU HB3 H 1.935 0.002 2 1188 284 141 GLU HG2 H 2.238 0.004 2 1189 284 141 GLU HG3 H 2.238 0.004 2 1190 284 141 GLU CA C 56.256 0.004 1 1191 284 141 GLU CB C 30.248 0.003 1 1192 284 141 GLU CG C 33.873 0.004 1 1193 284 141 GLU N N 121.715 0.037 1 1194 285 142 ILE H H 8.222 0.006 1 1195 285 142 ILE HA H 4.076 0.011 1 1196 285 142 ILE HB H 1.781 0.010 1 1197 285 142 ILE HG12 H 1.069 0.007 2 1198 285 142 ILE HG13 H 1.335 0.006 2 1199 285 142 ILE HG2 H 0.782 0.005 1 1200 285 142 ILE HD1 H 0.698 0.003 1 1201 285 142 ILE CA C 61.094 0.096 1 1202 285 142 ILE CB C 38.162 0.007 1 1203 285 142 ILE CG1 C 27.166 0.011 1 1204 285 142 ILE CG2 C 17.471 0.008 1 1205 285 142 ILE CD1 C 12.383 0.006 1 1206 285 142 ILE N N 123.235 0.037 1 1207 286 143 VAL H H 7.591 0.006 1 1208 286 143 VAL HA H 3.968 0.008 1 1209 286 143 VAL HB H 1.977 0.003 1 1210 286 143 VAL HG1 H 0.798 0.008 2 1211 286 143 VAL HG2 H 0.798 0.008 2 1212 286 143 VAL CA C 63.391 0.021 1 1213 286 143 VAL CB C 33.328 0.015 1 1214 286 143 VAL CG1 C 20.160 0.003 1 1215 286 143 VAL CG2 C 21.631 0.003 1 1216 286 143 VAL N N 128.733 0.024 1 stop_ save_