data_18388 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Solution structure, dynamics and binding studies of CtCBM11 ; _BMRB_accession_number 18388 _BMRB_flat_file_name bmr18388.str _Entry_type original _Submission_date 2012-04-11 _Accession_date 2012-04-11 _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 Viegas Aldino . . 2 Cabrita Eurico J. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 heteronucl_NOE 1 T1_relaxation 1 T2_relaxation 1 S2_parameters 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 941 "13C chemical shifts" 689 "15N chemical shifts" 176 "T1 relaxation values" 156 "T2 relaxation values" 156 "order parameters" 156 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2013-04-16 update BMRB 'update entry citation' 2013-02-05 original author 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 18389 'at 50 C' stop_ _Original_release_date 2012-04-18 save_ ############################# # Citation for this entry # ############################# save_citation_1 _Saveframe_category entry_citation _Citation_full . _Citation_title ; Solution structure, dynamics and binding studies of a family 11 carbohydrate-binding module from Clostridium thermocellum (CtCBM11). ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 23356867 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Viegas Aldino . . 2 Sardinha Joao . . 3 Freire Filipe . . 4 Duarte Daniel F. . 5 Carvalho Ana L. . 6 Fontes 'Carlos M G A' . . 7 Romao Maria J. . 8 Macedo Anjos L. . 9 Cabrita Eurico J. . stop_ _Journal_abbreviation 'Biochem. J.' _Journal_name_full 'The Biochemical journal' _Journal_volume 451 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 289 _Page_last 300 _Year 2013 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name CtCBM11 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label CtCBM11 $CtCBM11 'CALCIUM ION_1' $entity_CA 'CALCIUM ION_2' $entity_CA stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_CtCBM11 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common CtCBM11 _Molecular_mass 18963.230 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 172 _Mol_residue_sequence ; MASAVGEKMLDDFEGVLNWG SYSGEGAKVSTKIVSGKTGN GMEVSYTGTTDGYWGTVYSL PDGDWSKWLKISFDIKSVDG SANEIRFMIAEKSINGVGDG EHWVYSITPDSSWKTIEIPF SSFRRRLDYQPPGQDMSGTL DLDNIDSIHFMYANNKSGKF VVDNIKLIGALE ; loop_ _Residue_seq_code _Residue_label 1 MET 2 ALA 3 SER 4 ALA 5 VAL 6 GLY 7 GLU 8 LYS 9 MET 10 LEU 11 ASP 12 ASP 13 PHE 14 GLU 15 GLY 16 VAL 17 LEU 18 ASN 19 TRP 20 GLY 21 SER 22 TYR 23 SER 24 GLY 25 GLU 26 GLY 27 ALA 28 LYS 29 VAL 30 SER 31 THR 32 LYS 33 ILE 34 VAL 35 SER 36 GLY 37 LYS 38 THR 39 GLY 40 ASN 41 GLY 42 MET 43 GLU 44 VAL 45 SER 46 TYR 47 THR 48 GLY 49 THR 50 THR 51 ASP 52 GLY 53 TYR 54 TRP 55 GLY 56 THR 57 VAL 58 TYR 59 SER 60 LEU 61 PRO 62 ASP 63 GLY 64 ASP 65 TRP 66 SER 67 LYS 68 TRP 69 LEU 70 LYS 71 ILE 72 SER 73 PHE 74 ASP 75 ILE 76 LYS 77 SER 78 VAL 79 ASP 80 GLY 81 SER 82 ALA 83 ASN 84 GLU 85 ILE 86 ARG 87 PHE 88 MET 89 ILE 90 ALA 91 GLU 92 LYS 93 SER 94 ILE 95 ASN 96 GLY 97 VAL 98 GLY 99 ASP 100 GLY 101 GLU 102 HIS 103 TRP 104 VAL 105 TYR 106 SER 107 ILE 108 THR 109 PRO 110 ASP 111 SER 112 SER 113 TRP 114 LYS 115 THR 116 ILE 117 GLU 118 ILE 119 PRO 120 PHE 121 SER 122 SER 123 PHE 124 ARG 125 ARG 126 ARG 127 LEU 128 ASP 129 TYR 130 GLN 131 PRO 132 PRO 133 GLY 134 GLN 135 ASP 136 MET 137 SER 138 GLY 139 THR 140 LEU 141 ASP 142 LEU 143 ASP 144 ASN 145 ILE 146 ASP 147 SER 148 ILE 149 HIS 150 PHE 151 MET 152 TYR 153 ALA 154 ASN 155 ASN 156 LYS 157 SER 158 GLY 159 LYS 160 PHE 161 VAL 162 VAL 163 ASP 164 ASN 165 ILE 166 LYS 167 LEU 168 ILE 169 GLY 170 ALA 171 LEU 172 GLU stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date . save_ ############# # Ligands # ############# save_CA _Saveframe_category ligand _Mol_type "non-polymer (NON-POLYMER)" _Name_common "entity_CA (CALCIUM ION)" _BMRB_code CA _PDB_code CA _Molecular_mass 40.078 _Mol_charge 2 _Mol_paramagnetic . _Mol_aromatic no _Details . loop_ _Atom_name _PDB_atom_name _Atom_type _Atom_chirality _Atom_charge _Atom_oxidation_number _Atom_unpaired_electrons CA CA CA . 2 . ? stop_ _Mol_thiol_state . _Sequence_homology_query_date . save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $CtCBM11 'Clostridium thermocellum' 1515 Bacteria . Clostridium thermocellum 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 $CtCBM11 'recombinant technology' . Escherichia coli . pET-21-a stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $CtCBM11 1 mM '[U-13C; U-15N]' 'potassium phosphate' 0.75 mM 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_AMBER _Saveframe_category software _Name AMBER _Version 9.0 loop_ _Vendor _Address _Electronic_address 'Case, Darden, Cheatham, III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_Avance600 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC' _Sample_label $sample_1 save_ save_3D_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HNHA_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HCCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.75 . mM pH 7.5 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_ref _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '2D 1H-13C HSQC' '3D HNCO' '3D HN(CO)CA' '3D CBCA(CO)NH' '3D HNCACB' '3D HNHA' '3D HCCH-TOCSY' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $ref _Mol_system_component_name CtCBM11 _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 2 ALA H H 9.493 0.020 1 2 2 2 ALA HA H 4.038 0.020 1 3 2 2 ALA HB H 1.047 0.020 . 4 2 2 ALA C C 173.886 0.300 1 5 2 2 ALA CA C 48.021 0.300 1 6 2 2 ALA CB C 19.688 0.300 1 7 2 2 ALA N N 118.911 0.300 1 8 5 5 VAL H H 7.656 0.020 1 9 5 5 VAL HA H 4.069 0.020 1 10 5 5 VAL HB H 2.039 0.020 1 11 5 5 VAL HG1 H 0.898 0.020 . 12 5 5 VAL C C 173.798 0.300 1 13 5 5 VAL CA C 59.682 0.300 1 14 5 5 VAL CB C 29.997 0.300 1 15 5 5 VAL CG1 C 17.063 0.300 2 16 5 5 VAL CG2 C 18.321 0.300 2 17 5 5 VAL N N 119.415 0.300 1 18 6 6 GLY H H 8.680 0.020 1 19 6 6 GLY HA2 H 4.021 0.020 2 20 6 6 GLY HA3 H 4.164 0.020 2 21 6 6 GLY C C 170.516 0.300 1 22 6 6 GLY CA C 43.067 0.300 1 23 6 6 GLY N N 112.487 0.300 1 24 7 7 GLU H H 7.947 0.020 1 25 7 7 GLU HA H 5.244 0.020 1 26 7 7 GLU HB2 H 1.760 0.020 2 27 7 7 GLU HB3 H 1.960 0.020 2 28 7 7 GLU HG2 H 2.112 0.020 2 29 7 7 GLU HG3 H 2.112 0.020 2 30 7 7 GLU C C 172.529 0.300 1 31 7 7 GLU CA C 52.023 0.300 1 32 7 7 GLU CB C 31.125 0.300 1 33 7 7 GLU CG C 32.460 0.300 1 34 7 7 GLU N N 117.326 0.300 1 35 8 8 LYS H H 8.231 0.020 1 36 8 8 LYS HA H 4.168 0.020 1 37 8 8 LYS HB2 H 1.310 0.020 2 38 8 8 LYS HB3 H 1.169 0.020 2 39 8 8 LYS HG2 H 1.487 0.020 2 40 8 8 LYS HG3 H 1.639 0.020 2 41 8 8 LYS HD2 H 0.774 0.020 2 42 8 8 LYS HD3 H 0.774 0.020 2 43 8 8 LYS HE2 H 2.864 0.020 2 44 8 8 LYS HE3 H 2.864 0.020 2 45 8 8 LYS C C 171.730 0.300 1 46 8 8 LYS CA C 52.385 0.300 1 47 8 8 LYS CB C 32.800 0.300 1 48 8 8 LYS CG C 26.816 0.300 1 49 8 8 LYS CD C 21.932 0.300 1 50 8 8 LYS CE C 39.452 0.300 1 51 8 8 LYS N N 122.590 0.300 1 52 9 9 MET H H 8.911 0.020 1 53 9 9 MET HA H 4.307 0.020 1 54 9 9 MET HB2 H 1.909 0.020 2 55 9 9 MET HB3 H 2.039 0.020 2 56 9 9 MET HG2 H 1.255 0.020 2 57 9 9 MET HG3 H 1.331 0.020 2 58 9 9 MET C C 172.803 0.300 1 59 9 9 MET CA C 52.889 0.300 1 60 9 9 MET CB C 27.937 0.300 1 61 9 9 MET CG C 26.813 0.300 1 62 9 9 MET N N 128.561 0.300 1 63 10 10 LEU H H 9.648 0.020 1 64 10 10 LEU HA H 4.529 0.020 1 65 10 10 LEU HB2 H 1.218 0.020 2 66 10 10 LEU HB3 H 1.655 0.020 2 67 10 10 LEU HG H 1.492 0.020 1 68 10 10 LEU HD1 H 0.795 0.020 . 69 10 10 LEU C C 174.825 0.300 1 70 10 10 LEU CA C 53.397 0.300 1 71 10 10 LEU CB C 40.054 0.300 1 72 10 10 LEU CG C 24.105 0.300 1 73 10 10 LEU CD1 C 20.051 0.300 2 74 10 10 LEU N N 129.819 0.300 1 75 11 11 ASP H H 7.998 0.020 1 76 11 11 ASP HA H 4.544 0.020 1 77 11 11 ASP HB2 H 2.199 0.020 2 78 11 11 ASP HB3 H 2.366 0.020 2 79 11 11 ASP C C 170.600 0.300 1 80 11 11 ASP CA C 53.030 0.300 1 81 11 11 ASP CB C 39.845 0.300 1 82 11 11 ASP N N 115.392 0.300 1 83 12 12 ASP H H 7.883 0.020 1 84 12 12 ASP HA H 4.660 0.020 1 85 12 12 ASP HB2 H 2.799 0.020 2 86 12 12 ASP HB3 H 3.666 0.020 2 87 12 12 ASP C C 174.882 0.300 1 88 12 12 ASP CA C 50.115 0.300 1 89 12 12 ASP CB C 37.821 0.300 1 90 12 12 ASP N N 124.013 0.300 1 91 13 13 PHE H H 9.163 0.020 1 92 13 13 PHE HA H 4.053 0.020 1 93 13 13 PHE HB2 H 3.022 0.020 2 94 13 13 PHE HB3 H 3.144 0.020 2 95 13 13 PHE HD1 H 7.182 0.020 3 96 13 13 PHE HD2 H 7.182 0.020 3 97 13 13 PHE HE1 H 6.968 0.020 3 98 13 13 PHE HE2 H 6.968 0.020 3 99 13 13 PHE C C 171.859 0.300 1 100 13 13 PHE CA C 58.666 0.300 1 101 13 13 PHE CB C 31.854 0.300 1 102 13 13 PHE N N 117.201 0.300 1 103 14 14 GLU H H 7.999 0.020 1 104 14 14 GLU HA H 4.851 0.020 1 105 14 14 GLU HB2 H 1.666 0.020 2 106 14 14 GLU HB3 H 2.277 0.020 2 107 14 14 GLU HG2 H 2.160 0.020 2 108 14 14 GLU HG3 H 2.314 0.020 2 109 14 14 GLU C C 175.090 0.300 1 110 14 14 GLU CA C 51.695 0.300 1 111 14 14 GLU CB C 24.660 0.300 1 112 14 14 GLU CG C 31.845 0.300 1 113 14 14 GLU N N 112.860 0.300 1 114 15 15 GLY H H 7.933 0.020 1 115 15 15 GLY HA2 H 3.645 0.020 2 116 15 15 GLY HA3 H 4.508 0.020 2 117 15 15 GLY C C 171.456 0.300 1 118 15 15 GLY CA C 41.552 0.300 1 119 15 15 GLY N N 110.114 0.300 1 120 16 16 VAL H H 8.122 0.020 1 121 16 16 VAL HA H 4.038 0.020 1 122 16 16 VAL HB H 2.051 0.020 1 123 16 16 VAL HG1 H 0.927 0.020 . 124 16 16 VAL HG2 H 0.897 0.020 . 125 16 16 VAL C C 172.975 0.300 1 126 16 16 VAL CA C 59.093 0.300 1 127 16 16 VAL CB C 29.945 0.300 1 128 16 16 VAL CG1 C 18.384 0.300 2 129 16 16 VAL CG2 C 17.095 0.300 2 130 16 16 VAL N N 121.850 0.300 1 131 17 17 LEU H H 8.406 0.020 1 132 17 17 LEU HA H 4.663 0.020 1 133 17 17 LEU HB2 H 1.522 0.020 2 134 17 17 LEU HB3 H 2.037 0.020 2 135 17 17 LEU HG H 1.717 0.020 1 136 17 17 LEU HD1 H 0.988 0.020 . 137 17 17 LEU HD2 H 1.186 0.020 . 138 17 17 LEU C C 174.567 0.300 1 139 17 17 LEU CA C 52.524 0.300 1 140 17 17 LEU CB C 38.660 0.300 1 141 17 17 LEU CG C 22.714 0.300 1 142 17 17 LEU CD1 C 17.668 0.300 2 143 17 17 LEU CD2 C 11.493 0.300 2 144 17 17 LEU N N 124.314 0.300 1 145 18 18 ASN H H 9.816 0.020 1 146 18 18 ASN HA H 4.871 0.020 1 147 18 18 ASN HB2 H 2.199 0.020 2 148 18 18 ASN HB3 H 2.422 0.020 2 149 18 18 ASN HD21 H 7.207 0.020 2 150 18 18 ASN HD22 H 6.680 0.020 2 151 18 18 ASN C C 171.344 0.300 1 152 18 18 ASN CA C 50.842 0.300 1 153 18 18 ASN CB C 36.763 0.300 1 154 18 18 ASN CG C 173.707 0.300 1 155 18 18 ASN N N 127.412 0.300 1 156 18 18 ASN ND2 N 113.034 0.300 1 157 19 19 TRP H H 6.885 0.020 1 158 19 19 TRP HA H 4.839 0.020 1 159 19 19 TRP HB2 H 2.834 0.020 2 160 19 19 TRP HB3 H 3.489 0.020 2 161 19 19 TRP HD1 H 7.428 0.020 1 162 19 19 TRP HE1 H 10.708 0.020 1 163 19 19 TRP HE3 H 7.865 0.020 1 164 19 19 TRP HZ2 H 7.312 0.020 1 165 19 19 TRP HZ3 H 7.080 0.020 1 166 19 19 TRP HH2 H 6.673 0.020 1 167 19 19 TRP C C 174.849 0.300 1 168 19 19 TRP CA C 55.103 0.300 1 169 19 19 TRP CB C 27.089 0.300 1 170 19 19 TRP CD1 C 124.174 0.300 1 171 19 19 TRP CE3 C 119.405 0.300 1 172 19 19 TRP CZ2 C 110.444 0.300 1 173 19 19 TRP CZ3 C 121.004 0.300 1 174 19 19 TRP N N 119.781 0.300 1 175 19 19 TRP NE1 N 133.691 0.300 1 176 20 20 GLY H H 9.462 0.020 1 177 20 20 GLY HA2 H 3.959 0.020 2 178 20 20 GLY HA3 H 4.716 0.020 2 179 20 20 GLY C C 171.151 0.300 1 180 20 20 GLY CA C 40.888 0.300 1 181 20 20 GLY N N 113.314 0.300 1 182 21 21 SER H H 8.859 0.020 1 183 21 21 SER HA H 5.475 0.020 1 184 21 21 SER HB2 H 3.936 0.020 2 185 21 21 SER HB3 H 4.018 0.020 2 186 21 21 SER C C 170.160 0.300 1 187 21 21 SER CA C 55.822 0.300 1 188 21 21 SER CB C 63.809 0.300 1 189 21 21 SER N N 115.038 0.300 1 190 22 22 TYR H H 8.649 0.020 1 191 22 22 TYR HA H 5.101 0.020 1 192 22 22 TYR HB2 H 3.087 0.020 2 193 22 22 TYR HB3 H 3.130 0.020 2 194 22 22 TYR HD1 H 6.771 0.020 3 195 22 22 TYR HD2 H 6.771 0.020 3 196 22 22 TYR HE1 H 6.622 0.020 3 197 22 22 TYR HE2 H 6.622 0.020 3 198 22 22 TYR HH H 6.955 0.020 1 199 22 22 TYR C C 170.458 0.300 1 200 22 22 TYR CA C 53.421 0.300 1 201 22 22 TYR CB C 37.562 0.300 1 202 22 22 TYR CD2 C 131.579 0.300 3 203 22 22 TYR CE2 C 114.545 0.300 3 204 22 22 TYR N N 118.021 0.300 1 205 23 23 SER H H 8.313 0.020 1 206 23 23 SER HA H 4.678 0.020 1 207 23 23 SER HB2 H 3.762 0.020 2 208 23 23 SER HB3 H 4.165 0.020 2 209 23 23 SER C C 169.706 0.300 1 210 23 23 SER CA C 55.522 0.300 1 211 23 23 SER CB C 62.032 0.300 1 212 23 23 SER N N 109.482 0.300 1 213 24 24 GLY H H 7.126 0.020 1 214 24 24 GLY HA2 H 3.427 0.020 2 215 24 24 GLY HA3 H 4.165 0.020 2 216 24 24 GLY C C 170.001 0.300 1 217 24 24 GLY CA C 42.577 0.300 1 218 24 24 GLY N N 103.259 0.300 1 219 25 25 GLU H H 8.893 0.020 1 220 25 25 GLU HA H 3.900 0.020 1 221 25 25 GLU HB2 H 1.768 0.020 2 222 25 25 GLU HB3 H 2.086 0.020 2 223 25 25 GLU HG2 H 2.172 0.020 2 224 25 25 GLU HG3 H 2.357 0.020 2 225 25 25 GLU C C 173.537 0.300 1 226 25 25 GLU CA C 53.365 0.300 1 227 25 25 GLU CB C 24.862 0.300 1 228 25 25 GLU CG C 32.710 0.300 1 229 25 25 GLU N N 116.189 0.300 1 230 26 26 GLY H H 8.354 0.020 1 231 26 26 GLY HA2 H 3.457 0.020 2 232 26 26 GLY HA3 H 4.190 0.020 2 233 26 26 GLY C C 171.415 0.300 1 234 26 26 GLY CA C 42.936 0.300 1 235 26 26 GLY N N 106.643 0.300 1 236 27 27 ALA H H 6.985 0.020 1 237 27 27 ALA HA H 4.460 0.020 1 238 27 27 ALA HB H 1.534 0.020 . 239 27 27 ALA C C 174.027 0.300 1 240 27 27 ALA CA C 49.327 0.300 1 241 27 27 ALA CB C 17.239 0.300 1 242 27 27 ALA N N 123.381 0.300 1 243 28 28 LYS H H 8.514 0.020 1 244 28 28 LYS HA H 4.670 0.020 1 245 28 28 LYS HB2 H 1.470 0.020 2 246 28 28 LYS HB3 H 1.717 0.020 2 247 28 28 LYS HG2 H 1.250 0.020 2 248 28 28 LYS HG3 H 1.250 0.020 2 249 28 28 LYS HD2 H 1.563 0.020 2 250 28 28 LYS HD3 H 1.563 0.020 2 251 28 28 LYS HE2 H 2.827 0.020 2 252 28 28 LYS HE3 H 2.827 0.020 2 253 28 28 LYS C C 171.111 0.300 1 254 28 28 LYS CA C 52.179 0.300 1 255 28 28 LYS CB C 34.430 0.300 1 256 28 28 LYS CG C 21.623 0.300 1 257 28 28 LYS CD C 26.184 0.300 1 258 28 28 LYS CE C 39.240 0.300 1 259 28 28 LYS N N 117.403 0.300 1 260 29 29 VAL H H 8.222 0.020 1 261 29 29 VAL HA H 5.059 0.020 1 262 29 29 VAL HB H 1.981 0.020 1 263 29 29 VAL HG1 H 0.694 0.020 . 264 29 29 VAL HG2 H 1.053 0.020 . 265 29 29 VAL C C 169.490 0.300 1 266 29 29 VAL CA C 56.865 0.300 1 267 29 29 VAL CB C 31.220 0.300 1 268 29 29 VAL CG1 C 20.040 0.300 2 269 29 29 VAL CG2 C 16.755 0.300 2 270 29 29 VAL N N 117.856 0.300 1 271 30 30 SER H H 8.616 0.020 1 272 30 30 SER HA H 4.782 0.020 1 273 30 30 SER HB2 H 3.690 0.020 2 274 30 30 SER HB3 H 3.690 0.020 2 275 30 30 SER C C 170.056 0.300 1 276 30 30 SER CA C 54.210 0.300 1 277 30 30 SER CB C 62.973 0.300 1 278 30 30 SER N N 120.606 0.300 1 279 31 31 THR H H 8.289 0.020 1 280 31 31 THR HA H 5.458 0.020 1 281 31 31 THR HB H 3.915 0.020 1 282 31 31 THR HG2 H 1.082 0.020 . 283 31 31 THR C C 171.658 0.300 1 284 31 31 THR CA C 55.997 0.300 1 285 31 31 THR CB C 69.505 0.300 1 286 31 31 THR CG2 C 19.186 0.300 1 287 31 31 THR N N 112.519 0.300 1 288 32 32 LYS H H 8.338 0.020 1 289 32 32 LYS HA H 4.516 0.020 1 290 32 32 LYS HB2 H 1.625 0.020 2 291 32 32 LYS HB3 H 1.725 0.020 2 292 32 32 LYS HG2 H 1.146 0.020 2 293 32 32 LYS HG3 H 1.280 0.020 2 294 32 32 LYS HD2 H 1.479 0.020 2 295 32 32 LYS HD3 H 1.721 0.020 2 296 32 32 LYS HE2 H 2.777 0.020 2 297 32 32 LYS HE3 H 2.777 0.020 2 298 32 32 LYS C C 171.474 0.300 1 299 32 32 LYS CA C 52.702 0.300 1 300 32 32 LYS CB C 33.801 0.300 1 301 32 32 LYS CG C 21.309 0.300 1 302 32 32 LYS CD C 26.341 0.300 1 303 32 32 LYS CE C 39.251 0.300 1 304 32 32 LYS N N 119.281 0.300 1 305 33 33 ILE H H 8.600 0.020 1 306 33 33 ILE HA H 4.784 0.020 1 307 33 33 ILE HB H 1.935 0.020 1 308 33 33 ILE HG12 H 1.483 0.020 2 309 33 33 ILE HG13 H 1.640 0.020 2 310 33 33 ILE HG2 H 1.006 0.020 . 311 33 33 ILE HD1 H 0.897 0.020 . 312 33 33 ILE C C 173.484 0.300 1 313 33 33 ILE CA C 57.117 0.300 1 314 33 33 ILE CB C 33.215 0.300 1 315 33 33 ILE CG1 C 24.218 0.300 1 316 33 33 ILE CG2 C 14.626 0.300 1 317 33 33 ILE CD1 C 7.663 0.300 1 318 33 33 ILE N N 124.191 0.300 1 319 34 34 VAL H H 8.290 0.020 1 320 34 34 VAL HA H 4.634 0.020 1 321 34 34 VAL HB H 2.301 0.020 1 322 34 34 VAL HG1 H 0.673 0.020 . 323 34 34 VAL HG2 H 0.546 0.020 . 324 34 34 VAL C C 172.431 0.300 1 325 34 34 VAL CA C 56.386 0.300 1 326 34 34 VAL CB C 33.771 0.300 1 327 34 34 VAL CG1 C 19.500 0.300 2 328 34 34 VAL CG2 C 16.277 0.300 2 329 34 34 VAL N N 121.673 0.300 1 330 35 35 SER H H 8.211 0.020 1 331 35 35 SER HA H 4.383 0.020 1 332 35 35 SER HB2 H 3.802 0.020 2 333 35 35 SER HB3 H 3.925 0.020 2 334 35 35 SER C C 171.802 0.300 1 335 35 35 SER CA C 58.272 0.300 1 336 35 35 SER CB C 60.316 0.300 1 337 35 35 SER N N 115.567 0.300 1 338 36 36 GLY H H 9.139 0.020 1 339 36 36 GLY HA2 H 2.808 0.020 2 340 36 36 GLY HA3 H 4.332 0.020 2 341 36 36 GLY C C 170.141 0.300 1 342 36 36 GLY CA C 40.427 0.300 1 343 36 36 GLY N N 113.901 0.300 1 344 37 37 LYS H H 8.397 0.020 1 345 37 37 LYS HA H 3.157 0.020 1 346 37 37 LYS HB2 H -0.578 0.020 2 347 37 37 LYS HB3 H 0.891 0.020 2 348 37 37 LYS HG2 H 0.307 0.020 2 349 37 37 LYS HG3 H 0.747 0.020 2 350 37 37 LYS HD2 H 0.464 0.020 2 351 37 37 LYS HD3 H 0.655 0.020 2 352 37 37 LYS HE2 H 2.501 0.020 2 353 37 37 LYS HE3 H 2.501 0.020 2 354 37 37 LYS C C 174.767 0.300 1 355 37 37 LYS CA C 55.258 0.300 1 356 37 37 LYS CB C 29.133 0.300 1 357 37 37 LYS CG C 21.222 0.300 1 358 37 37 LYS CD C 24.997 0.300 1 359 37 37 LYS CE C 39.297 0.300 1 360 37 37 LYS N N 129.295 0.300 1 361 38 38 THR H H 7.329 0.020 1 362 38 38 THR HA H 4.187 0.020 1 363 38 38 THR HB H 4.050 0.020 1 364 38 38 THR HG2 H 1.015 0.020 . 365 38 38 THR C C 171.554 0.300 1 366 38 38 THR CA C 56.978 0.300 1 367 38 38 THR CB C 67.587 0.300 1 368 38 38 THR CG2 C 19.186 0.300 1 369 38 38 THR N N 109.702 0.300 1 370 39 39 GLY HA2 H 4.174 0.020 2 371 39 39 GLY HA3 H 4.331 0.020 2 372 39 39 GLY C C 172.157 0.300 1 373 39 39 GLY CA C 43.730 0.300 1 374 40 40 ASN H H 10.806 0.020 1 375 40 40 ASN HA H 5.328 0.020 1 376 40 40 ASN HB2 H 2.799 0.020 2 377 40 40 ASN HB3 H 3.016 0.020 2 378 40 40 ASN HD21 H 7.408 0.020 2 379 40 40 ASN HD22 H 6.864 0.020 2 380 40 40 ASN C C 173.472 0.300 1 381 40 40 ASN CA C 50.075 0.300 1 382 40 40 ASN CB C 37.921 0.300 1 383 40 40 ASN CG C 173.410 0.300 1 384 40 40 ASN N N 129.447 0.300 1 385 40 40 ASN ND2 N 112.130 0.300 1 386 41 41 GLY H H 9.527 0.020 1 387 41 41 GLY HA2 H 3.102 0.020 2 388 41 41 GLY HA3 H 4.301 0.020 2 389 41 41 GLY C C 166.402 0.300 1 390 41 41 GLY CA C 41.543 0.300 1 391 41 41 GLY N N 111.071 0.300 1 392 42 42 MET H H 7.365 0.020 1 393 42 42 MET HA H 4.664 0.020 1 394 42 42 MET HB2 H 0.648 0.020 2 395 42 42 MET HB3 H 0.736 0.020 2 396 42 42 MET HG2 H 1.606 0.020 2 397 42 42 MET HG3 H 1.507 0.020 2 398 42 42 MET C C 170.893 0.300 1 399 42 42 MET CA C 51.269 0.300 1 400 42 42 MET CB C 33.077 0.300 1 401 42 42 MET CG C 28.149 0.300 1 402 42 42 MET N N 118.852 0.300 1 403 43 43 GLU H H 9.209 0.020 1 404 43 43 GLU HA H 4.660 0.020 1 405 43 43 GLU HB2 H 1.718 0.020 2 406 43 43 GLU HB3 H 1.537 0.020 2 407 43 43 GLU HG2 H 1.371 0.020 2 408 43 43 GLU HG3 H 1.826 0.020 2 409 43 43 GLU C C 172.450 0.300 1 410 43 43 GLU CA C 51.351 0.300 1 411 43 43 GLU CB C 30.098 0.300 1 412 43 43 GLU CG C 39.450 0.300 1 413 43 43 GLU N N 128.010 0.300 1 414 44 44 VAL H H 8.875 0.020 1 415 44 44 VAL HA H 4.158 0.020 1 416 44 44 VAL HB H 0.066 0.020 1 417 44 44 VAL HG1 H 0.204 0.020 . 418 44 44 VAL HG2 H 0.370 0.020 . 419 44 44 VAL C C 171.459 0.300 1 420 44 44 VAL CA C 58.082 0.300 1 421 44 44 VAL CB C 28.634 0.300 1 422 44 44 VAL CG1 C 19.130 0.300 2 423 44 44 VAL CG2 C 18.248 0.300 2 424 44 44 VAL N N 131.323 0.300 1 425 45 45 SER H H 8.367 0.020 1 426 45 45 SER HA H 4.765 0.020 1 427 45 45 SER HB2 H 3.408 0.020 2 428 45 45 SER HB3 H 3.524 0.020 2 429 45 45 SER C C 170.275 0.300 1 430 45 45 SER CA C 53.422 0.300 1 431 45 45 SER CB C 61.255 0.300 1 432 45 45 SER N N 120.580 0.300 1 433 46 46 TYR H H 8.334 0.020 1 434 46 46 TYR HA H 5.102 0.020 1 435 46 46 TYR HB2 H 0.883 0.020 2 436 46 46 TYR HB3 H 0.883 0.020 2 437 46 46 TYR HD1 H 6.014 0.020 3 438 46 46 TYR HD2 H 6.014 0.020 3 439 46 46 TYR HE1 H 6.646 0.020 3 440 46 46 TYR HE2 H 6.646 0.020 3 441 46 46 TYR C C 171.426 0.300 1 442 46 46 TYR CA C 52.054 0.300 1 443 46 46 TYR CB C 37.217 0.300 1 444 46 46 TYR CD1 C 131.329 0.300 3 445 46 46 TYR CE1 C 111.897 0.300 3 446 46 46 TYR N N 123.307 0.300 1 447 47 47 THR H H 8.787 0.020 1 448 47 47 THR HA H 4.588 0.020 1 449 47 47 THR HB H 3.818 0.020 1 450 47 47 THR HG2 H 1.107 0.020 . 451 47 47 THR C C 171.383 0.300 1 452 47 47 THR CA C 57.858 0.300 1 453 47 47 THR CB C 68.591 0.300 1 454 47 47 THR CG2 C 18.280 0.300 1 455 47 47 THR N N 118.464 0.300 1 456 48 48 GLY H H 7.539 0.020 1 457 48 48 GLY HA2 H 3.701 0.020 2 458 48 48 GLY HA3 H 4.662 0.020 2 459 48 48 GLY C C 170.390 0.300 1 460 48 48 GLY CA C 42.053 0.300 1 461 48 48 GLY N N 112.382 0.300 1 462 49 49 THR H H 7.897 0.020 1 463 49 49 THR HA H 4.706 0.020 1 464 49 49 THR HB H 4.503 0.020 1 465 49 49 THR HG2 H 0.959 0.020 . 466 49 49 THR C C 172.345 0.300 1 467 49 49 THR CA C 57.111 0.300 1 468 49 49 THR CB C 69.501 0.300 1 469 49 49 THR CG2 C 20.247 0.300 1 470 49 49 THR N N 106.661 0.300 1 471 50 50 THR H H 8.739 0.020 1 472 50 50 THR HA H 3.909 0.020 1 473 50 50 THR HB H 4.085 0.020 1 474 50 50 THR HG2 H 1.236 0.020 . 475 50 50 THR C C 172.491 0.300 1 476 50 50 THR CA C 64.451 0.300 1 477 50 50 THR CB C 66.225 0.300 1 478 50 50 THR CG2 C 19.273 0.300 1 479 50 50 THR N N 118.387 0.300 1 480 51 51 ASP H H 8.562 0.020 1 481 51 51 ASP HA H 4.800 0.020 1 482 51 51 ASP HB2 H 2.582 0.020 2 483 51 51 ASP HB3 H 2.834 0.020 2 484 51 51 ASP C C 172.713 0.300 1 485 51 51 ASP CA C 52.027 0.300 1 486 51 51 ASP CB C 38.434 0.300 1 487 51 51 ASP N N 117.881 0.300 1 488 52 52 GLY H H 7.486 0.020 1 489 52 52 GLY HA2 H 3.559 0.020 2 490 52 52 GLY HA3 H 4.160 0.020 2 491 52 52 GLY C C 169.555 0.300 1 492 52 52 GLY CA C 42.765 0.300 1 493 52 52 GLY N N 107.214 0.300 1 494 53 53 TYR H H 6.745 0.020 1 495 53 53 TYR HA H 3.384 0.020 1 496 53 53 TYR HB2 H 2.199 0.020 2 497 53 53 TYR HB3 H 2.199 0.020 2 498 53 53 TYR HD1 H 7.102 0.020 3 499 53 53 TYR HD2 H 7.102 0.020 3 500 53 53 TYR HE1 H 6.691 0.020 3 501 53 53 TYR HE2 H 6.691 0.020 3 502 53 53 TYR C C 168.920 0.300 1 503 53 53 TYR CA C 51.826 0.300 1 504 53 53 TYR CB C 38.843 0.300 1 505 53 53 TYR CD1 C 129.180 0.300 3 506 53 53 TYR CE1 C 116.053 0.300 3 507 53 53 TYR N N 112.696 0.300 1 508 54 54 TRP H H 6.210 0.020 1 509 54 54 TRP HA H 5.176 0.020 1 510 54 54 TRP HB2 H 3.126 0.020 2 511 54 54 TRP HB3 H 2.916 0.020 2 512 54 54 TRP HD1 H 6.918 0.020 1 513 54 54 TRP HE1 H 10.864 0.020 1 514 54 54 TRP HE3 H 6.472 0.020 1 515 54 54 TRP HZ2 H 6.193 0.020 1 516 54 54 TRP HZ3 H 6.681 0.020 1 517 54 54 TRP C C 170.886 0.300 1 518 54 54 TRP CA C 52.083 0.300 1 519 54 54 TRP CB C 29.623 0.300 1 520 54 54 TRP CD1 C 123.402 0.300 1 521 54 54 TRP CE3 C 120.254 0.300 1 522 54 54 TRP CZ2 C 112.490 0.300 1 523 54 54 TRP N N 112.565 0.300 1 524 54 54 TRP NE1 N 133.318 0.300 1 525 55 55 GLY H H 8.512 0.020 1 526 55 55 GLY HA2 H 3.692 0.020 2 527 55 55 GLY HA3 H 4.728 0.020 2 528 55 55 GLY C C 167.661 0.300 1 529 55 55 GLY CA C 43.201 0.300 1 530 55 55 GLY N N 108.401 0.300 1 531 56 56 THR H H 9.346 0.020 1 532 56 56 THR HA H 5.692 0.020 1 533 56 56 THR HB H 4.175 0.020 1 534 56 56 THR HG2 H 1.455 0.020 . 535 56 56 THR C C 170.091 0.300 1 536 56 56 THR CA C 56.843 0.300 1 537 56 56 THR CB C 68.755 0.300 1 538 56 56 THR CG2 C 18.396 0.300 1 539 56 56 THR N N 113.411 0.300 1 540 57 57 VAL H H 8.773 0.020 1 541 57 57 VAL HA H 5.286 0.020 1 542 57 57 VAL HB H 1.605 0.020 1 543 57 57 VAL HG1 H 0.175 0.020 . 544 57 57 VAL HG2 H 0.860 0.020 . 545 57 57 VAL C C 168.948 0.300 1 546 57 57 VAL CA C 55.687 0.300 1 547 57 57 VAL CB C 33.066 0.300 1 548 57 57 VAL CG1 C 18.812 0.300 2 549 57 57 VAL CG2 C 14.626 0.300 2 550 57 57 VAL N N 123.444 0.300 1 551 58 58 TYR H H 8.446 0.020 1 552 58 58 TYR HA H 4.399 0.020 1 553 58 58 TYR HB2 H -0.024 0.020 2 554 58 58 TYR HB3 H 1.677 0.020 2 555 58 58 TYR HD1 H 6.406 0.020 3 556 58 58 TYR HD2 H 6.406 0.020 3 557 58 58 TYR HE1 H 6.568 0.020 3 558 58 58 TYR HE2 H 6.568 0.020 3 559 58 58 TYR C C 171.811 0.300 1 560 58 58 TYR CA C 50.946 0.300 1 561 58 58 TYR CB C 34.494 0.300 1 562 58 58 TYR CD2 C 128.789 0.300 3 563 58 58 TYR CE2 C 114.648 0.300 3 564 58 58 TYR N N 130.962 0.300 1 565 59 59 SER H H 8.134 0.020 1 566 59 59 SER HA H 4.106 0.020 1 567 59 59 SER HB2 H 3.473 0.020 2 568 59 59 SER HB3 H 3.626 0.020 2 569 59 59 SER C C 170.628 0.300 1 570 59 59 SER CA C 55.201 0.300 1 571 59 59 SER CB C 59.629 0.300 1 572 59 59 SER N N 122.943 0.300 1 573 60 60 LEU H H 7.663 0.020 1 574 60 60 LEU HA H 3.962 0.020 1 575 60 60 LEU HB2 H 1.174 0.020 2 576 60 60 LEU HB3 H 1.174 0.020 2 577 60 60 LEU HG H 1.394 0.020 1 578 60 60 LEU HD1 H 0.799 0.020 . 579 60 60 LEU HD2 H 0.638 0.020 . 580 60 60 LEU C C 174.212 0.300 1 581 60 60 LEU CA C 49.918 0.300 1 582 60 60 LEU CB C 39.095 0.300 1 583 60 60 LEU CG C 24.139 0.300 1 584 60 60 LEU CD1 C 19.741 0.300 2 585 60 60 LEU CD2 C 20.735 0.300 2 586 60 60 LEU N N 127.052 0.300 1 587 61 61 PRO HA H 4.356 0.020 1 588 61 61 PRO HB2 H 2.243 0.020 2 589 61 61 PRO HB3 H 1.945 0.020 2 590 61 61 PRO HD2 H 3.742 0.020 2 591 61 61 PRO HD3 H 3.884 0.020 2 592 61 61 PRO C C 173.235 0.300 1 593 61 61 PRO CA C 61.138 0.300 1 594 61 61 PRO CB C 29.071 0.300 1 595 61 61 PRO CG C 24.436 0.300 1 596 61 61 PRO CD C 47.975 0.300 1 597 62 62 ASP H H 6.803 0.020 1 598 62 62 ASP HA H 4.601 0.020 1 599 62 62 ASP HB2 H 2.712 0.020 2 600 62 62 ASP HB3 H 2.623 0.020 2 601 62 62 ASP C C 172.630 0.300 1 602 62 62 ASP CA C 50.488 0.300 1 603 62 62 ASP CB C 39.854 0.300 1 604 62 62 ASP N N 115.716 0.300 1 605 63 63 GLY H H 8.317 0.020 1 606 63 63 GLY HA2 H 3.929 0.020 2 607 63 63 GLY HA3 H 3.688 0.020 2 608 63 63 GLY C C 170.109 0.300 1 609 63 63 GLY CA C 42.805 0.300 1 610 63 63 GLY N N 112.661 0.300 1 611 64 64 ASP H H 7.648 0.020 1 612 64 64 ASP HA H 5.097 0.020 1 613 64 64 ASP HB2 H 2.532 0.020 2 614 64 64 ASP HB3 H 3.096 0.020 2 615 64 64 ASP C C 174.212 0.300 1 616 64 64 ASP CA C 49.918 0.300 1 617 64 64 ASP CB C 36.885 0.300 1 618 64 64 ASP N N 114.863 0.300 1 619 65 65 TRP H H 9.555 0.020 1 620 65 65 TRP HA H 5.181 0.020 1 621 65 65 TRP HB2 H 3.079 0.020 2 622 65 65 TRP HB3 H 3.587 0.020 2 623 65 65 TRP HD1 H 6.605 0.020 1 624 65 65 TRP HE1 H 9.668 0.020 1 625 65 65 TRP HE3 H 6.963 0.020 1 626 65 65 TRP HZ2 H 7.100 0.020 1 627 65 65 TRP HZ3 H 6.762 0.020 1 628 65 65 TRP C C 173.655 0.300 1 629 65 65 TRP CA C 51.834 0.300 1 630 65 65 TRP CB C 26.485 0.300 1 631 65 65 TRP CD1 C 118.873 0.300 1 632 65 65 TRP CE3 C 121.052 0.300 1 633 65 65 TRP CZ2 C 111.642 0.300 1 634 65 65 TRP CZ3 C 117.140 0.300 1 635 65 65 TRP N N 130.890 0.300 1 636 65 65 TRP NE1 N 125.070 0.300 1 637 66 66 SER H H 8.376 0.020 1 638 66 66 SER HA H 3.824 0.020 1 639 66 66 SER HB2 H 3.648 0.020 2 640 66 66 SER HB3 H 3.486 0.020 2 641 66 66 SER CA C 59.471 0.300 1 642 66 66 SER CB C 60.352 0.300 1 643 66 66 SER N N 113.932 0.300 1 644 67 67 LYS C C 172.533 0.300 1 645 68 68 TRP H H 7.864 0.020 1 646 68 68 TRP HA H 4.920 0.020 1 647 68 68 TRP HB2 H 3.085 0.020 2 648 68 68 TRP HB3 H 3.287 0.020 2 649 68 68 TRP HD1 H 6.758 0.020 1 650 68 68 TRP C C 171.727 0.300 1 651 68 68 TRP CA C 53.278 0.300 1 652 68 68 TRP CB C 33.263 0.300 1 653 68 68 TRP N N 121.153 0.300 1 654 69 69 LEU C C 175.012 0.300 1 655 69 69 LEU CA C 53.408 0.300 1 656 69 69 LEU CB C 43.978 0.300 1 657 70 70 LYS H H 8.154 0.020 1 658 70 70 LYS HA H 4.200 0.020 1 659 70 70 LYS HB2 H 1.242 0.020 2 660 70 70 LYS HB3 H 1.177 0.020 2 661 70 70 LYS HG2 H 1.033 0.020 2 662 70 70 LYS HG3 H 1.033 0.020 2 663 70 70 LYS HD2 H 1.247 0.020 2 664 70 70 LYS HD3 H 1.319 0.020 2 665 70 70 LYS C C 169.739 0.300 1 666 70 70 LYS CA C 50.494 0.300 1 667 70 70 LYS CB C 34.661 0.300 1 668 70 70 LYS CG C 21.623 0.300 1 669 70 70 LYS CD C 27.835 0.300 1 670 70 70 LYS CE C 39.236 0.300 1 671 70 70 LYS N N 117.211 0.300 1 672 71 71 ILE H H 7.637 0.020 1 673 71 71 ILE HA H 5.020 0.020 1 674 71 71 ILE HB H 1.554 0.020 1 675 71 71 ILE HG12 H 1.154 0.020 2 676 71 71 ILE HG13 H 1.090 0.020 2 677 71 71 ILE HG2 H 1.133 0.020 . 678 71 71 ILE HD1 H 0.420 0.020 . 679 71 71 ILE C C 169.064 0.300 1 680 71 71 ILE CA C 55.070 0.300 1 681 71 71 ILE CB C 39.510 0.300 1 682 71 71 ILE CG1 C 13.266 0.300 1 683 71 71 ILE CG2 C 26.498 0.300 1 684 71 71 ILE N N 118.421 0.300 1 685 72 72 SER H H 9.067 0.020 1 686 72 72 SER HA H 5.685 0.020 1 687 72 72 SER HB2 H 3.293 0.020 2 688 72 72 SER HB3 H 3.293 0.020 2 689 72 72 SER C C 170.043 0.300 1 690 72 72 SER CA C 52.116 0.300 1 691 72 72 SER CB C 63.663 0.300 1 692 72 72 SER N N 120.731 0.300 1 693 73 73 PHE H H 7.912 0.020 1 694 73 73 PHE HA H 5.145 0.020 1 695 73 73 PHE HB2 H 3.158 0.020 2 696 73 73 PHE HB3 H 3.566 0.020 2 697 73 73 PHE HD1 H 6.745 0.020 3 698 73 73 PHE HD2 H 6.745 0.020 3 699 73 73 PHE HE1 H 6.493 0.020 3 700 73 73 PHE HE2 H 6.493 0.020 3 701 73 73 PHE C C 170.129 0.300 1 702 73 73 PHE CA C 53.597 0.300 1 703 73 73 PHE CB C 38.407 0.300 1 704 73 73 PHE CD2 C 129.704 0.300 3 705 73 73 PHE CE2 C 127.414 0.300 3 706 73 73 PHE N N 117.217 0.300 1 707 74 74 ASP H H 8.827 0.020 1 708 74 74 ASP HA H 5.960 0.020 1 709 74 74 ASP HB2 H 2.261 0.020 2 710 74 74 ASP HB3 H 2.582 0.020 2 711 74 74 ASP C C 173.482 0.300 1 712 74 74 ASP CA C 50.670 0.300 1 713 74 74 ASP CB C 41.225 0.300 1 714 74 74 ASP N N 119.911 0.300 1 715 75 75 ILE H H 9.550 0.020 1 716 75 75 ILE HA H 6.067 0.020 1 717 75 75 ILE HB H 1.984 0.020 1 718 75 75 ILE HG12 H 0.817 0.020 2 719 75 75 ILE HG13 H 2.001 0.020 2 720 75 75 ILE HG2 H 1.016 0.020 . 721 75 75 ILE HD1 H 0.525 0.020 . 722 75 75 ILE C C 171.095 0.300 1 723 75 75 ILE CA C 57.461 0.300 1 724 75 75 ILE CB C 41.564 0.300 1 725 75 75 ILE CG1 C 26.798 0.300 1 726 75 75 ILE CD1 C 12.972 0.300 1 727 75 75 ILE N N 121.069 0.300 1 728 76 76 LYS H H 8.274 0.020 1 729 76 76 LYS HA H 4.633 0.020 1 730 76 76 LYS HB2 H 0.393 0.020 2 731 76 76 LYS HB3 H 0.642 0.020 2 732 76 76 LYS HG2 H 0.083 0.020 2 733 76 76 LYS HG3 H 0.308 0.020 2 734 76 76 LYS HD2 H 0.472 0.020 2 735 76 76 LYS HD3 H -0.057 0.020 2 736 76 76 LYS HE2 H 2.193 0.020 2 737 76 76 LYS HE3 H 2.299 0.020 2 738 76 76 LYS C C 172.004 0.300 1 739 76 76 LYS CA C 53.150 0.300 1 740 76 76 LYS CB C 32.389 0.300 1 741 76 76 LYS CG C 19.734 0.300 1 742 76 76 LYS CD C 25.305 0.300 1 743 76 76 LYS CE C 38.869 0.300 1 744 76 76 LYS N N 124.463 0.300 1 745 77 77 SER H H 9.149 0.020 1 746 77 77 SER HA H 4.603 0.020 1 747 77 77 SER HB2 H 3.427 0.020 2 748 77 77 SER HB3 H 3.706 0.020 2 749 77 77 SER HG H 5.151 0.020 1 750 77 77 SER C C 172.505 0.300 1 751 77 77 SER CA C 54.728 0.300 1 752 77 77 SER CB C 61.565 0.300 1 753 77 77 SER N N 119.033 0.300 1 754 78 78 VAL H H 7.955 0.020 1 755 78 78 VAL HA H 4.182 0.020 1 756 78 78 VAL HB H 1.816 0.020 1 757 78 78 VAL HG1 H 0.521 0.020 . 758 78 78 VAL HG2 H 0.678 0.020 . 759 78 78 VAL C C 172.726 0.300 1 760 78 78 VAL CA C 59.438 0.300 1 761 78 78 VAL CB C 29.979 0.300 1 762 78 78 VAL CG1 C 17.771 0.300 2 763 78 78 VAL CG2 C 18.871 0.300 2 764 78 78 VAL N N 119.790 0.300 1 765 79 79 ASP H H 8.067 0.020 1 766 79 79 ASP HA H 4.548 0.020 1 767 79 79 ASP HB2 H 2.347 0.020 2 768 79 79 ASP HB3 H 2.859 0.020 2 769 79 79 ASP C C 174.036 0.300 1 770 79 79 ASP CA C 50.812 0.300 1 771 79 79 ASP CB C 38.852 0.300 1 772 79 79 ASP N N 119.326 0.300 1 773 80 80 GLY H H 8.210 0.020 1 774 80 80 GLY HA2 H 3.508 0.020 2 775 80 80 GLY HA3 H 4.090 0.020 2 776 80 80 GLY C C 171.629 0.300 1 777 80 80 GLY CA C 42.838 0.300 1 778 80 80 GLY N N 108.328 0.300 1 779 81 81 SER H H 8.026 0.020 1 780 81 81 SER HA H 4.377 0.020 1 781 81 81 SER HB2 H 3.849 0.020 2 782 81 81 SER HB3 H 3.884 0.020 2 783 81 81 SER C C 171.425 0.300 1 784 81 81 SER CA C 55.327 0.300 1 785 81 81 SER CB C 61.781 0.300 1 786 81 81 SER N N 116.160 0.300 1 787 82 82 ALA H H 8.575 0.020 1 788 82 82 ALA HA H 4.808 0.020 1 789 82 82 ALA HB H 1.236 0.020 . 790 82 82 ALA C C 173.052 0.300 1 791 82 82 ALA CA C 48.797 0.300 1 792 82 82 ALA CB C 16.231 0.300 1 793 82 82 ALA N N 128.179 0.300 1 794 83 83 ASN H H 8.181 0.020 1 795 83 83 ASN HA H 4.863 0.020 1 796 83 83 ASN HB2 H 2.709 0.020 2 797 83 83 ASN HB3 H 2.709 0.020 2 798 83 83 ASN HD21 H 7.747 0.020 2 799 83 83 ASN C C 170.563 0.300 1 800 83 83 ASN CA C 50.517 0.300 1 801 83 83 ASN CB C 38.523 0.300 1 802 83 83 ASN CG C 174.709 0.300 1 803 83 83 ASN N N 119.957 0.300 1 804 83 83 ASN ND2 N 115.763 0.300 1 805 84 84 GLU H H 8.030 0.020 1 806 84 84 GLU HA H 4.505 0.020 1 807 84 84 GLU HB2 H 1.620 0.020 2 808 84 84 GLU HB3 H 1.780 0.020 2 809 84 84 GLU HG2 H 1.960 0.020 2 810 84 84 GLU HG3 H 2.065 0.020 2 811 84 84 GLU C C 171.338 0.300 1 812 84 84 GLU CA C 54.564 0.300 1 813 84 84 GLU CB C 28.437 0.300 1 814 84 84 GLU CG C 34.066 0.300 1 815 84 84 GLU N N 127.466 0.300 1 816 85 85 ILE H H 8.785 0.020 1 817 85 85 ILE HA H 4.441 0.020 1 818 85 85 ILE HB H 2.085 0.020 1 819 85 85 ILE HG12 H 0.768 0.020 2 820 85 85 ILE HG13 H 1.110 0.020 2 821 85 85 ILE HG2 H 0.981 0.020 . 822 85 85 ILE HD1 H 0.236 0.020 . 823 85 85 ILE C C 171.646 0.300 1 824 85 85 ILE CA C 57.923 0.300 1 825 85 85 ILE CB C 40.072 0.300 1 826 85 85 ILE CG1 C 23.257 0.300 1 827 85 85 ILE CG2 C 15.897 0.300 1 828 85 85 ILE CD1 C 12.254 0.300 1 829 85 85 ILE N N 117.650 0.300 1 830 86 86 ARG H H 9.004 0.020 1 831 86 86 ARG HA H 5.223 0.020 1 832 86 86 ARG HB2 H 1.194 0.020 2 833 86 86 ARG HB3 H 1.429 0.020 2 834 86 86 ARG HG2 H 1.725 0.020 2 835 86 86 ARG HG3 H 1.725 0.020 2 836 86 86 ARG HD2 H 2.531 0.020 2 837 86 86 ARG HD3 H 3.280 0.020 2 838 86 86 ARG C C 171.571 0.300 1 839 86 86 ARG CA C 52.830 0.300 1 840 86 86 ARG CB C 31.905 0.300 1 841 86 86 ARG CG C 24.769 0.300 1 842 86 86 ARG CD C 41.035 0.300 1 843 86 86 ARG N N 116.240 0.300 1 844 87 87 PHE H H 9.078 0.020 1 845 87 87 PHE HA H 5.283 0.020 1 846 87 87 PHE HB2 H 2.863 0.020 2 847 87 87 PHE HB3 H 3.020 0.020 2 848 87 87 PHE HD1 H 6.612 0.020 3 849 87 87 PHE HD2 H 6.612 0.020 3 850 87 87 PHE HE1 H 6.997 0.020 3 851 87 87 PHE HE2 H 6.997 0.020 3 852 87 87 PHE HZ H 7.411 0.020 1 853 87 87 PHE C C 170.766 0.300 1 854 87 87 PHE CA C 53.640 0.300 1 855 87 87 PHE CB C 39.828 0.300 1 856 87 87 PHE CD1 C 129.682 0.300 3 857 87 87 PHE CE1 C 127.245 0.300 3 858 87 87 PHE CZ C 126.536 0.300 1 859 87 87 PHE N N 123.240 0.300 1 860 88 88 MET H H 8.668 0.020 1 861 88 88 MET HA H 5.645 0.020 1 862 88 88 MET HB2 H 1.457 0.020 2 863 88 88 MET HB3 H 1.584 0.020 2 864 88 88 MET HG2 H 1.989 0.020 2 865 88 88 MET HG3 H 1.989 0.020 2 866 88 88 MET C C 170.510 0.300 1 867 88 88 MET CA C 50.807 0.300 1 868 88 88 MET CB C 37.032 0.300 1 869 88 88 MET CG C 29.149 0.300 1 870 88 88 MET N N 129.716 0.300 1 871 89 89 ILE H H 9.092 0.020 1 872 89 89 ILE HA H 4.319 0.020 1 873 89 89 ILE HB H 1.209 0.020 1 874 89 89 ILE HG12 H 1.420 0.020 . 875 89 89 ILE HG13 H 1.420 0.020 . 876 89 89 ILE HG2 H 0.516 0.020 . 877 89 89 ILE HD1 H 0.264 0.020 . 878 89 89 ILE C C 170.827 0.300 1 879 89 89 ILE CA C 57.785 0.300 1 880 89 89 ILE CB C 38.731 0.300 1 881 89 89 ILE CG1 C 24.733 0.300 1 882 89 89 ILE CG2 C 15.907 0.300 1 883 89 89 ILE CD1 C 11.952 0.300 1 884 89 89 ILE N N 124.543 0.300 1 885 90 90 ALA H H 8.586 0.020 1 886 90 90 ALA HB H 1.238 0.020 . 887 90 90 ALA C C 175.845 0.300 1 888 90 90 ALA CA C 46.613 0.300 1 889 90 90 ALA CB C 18.115 0.300 1 890 90 90 ALA N N 128.515 0.300 1 891 91 91 GLU H H 8.567 0.020 1 892 91 91 GLU HA H 4.498 0.020 1 893 91 91 GLU HB2 H 2.264 0.020 2 894 91 91 GLU HB3 H 2.377 0.020 2 895 91 91 GLU HG2 H 2.556 0.020 2 896 91 91 GLU HG3 H 2.556 0.020 2 897 91 91 GLU C C 173.922 0.300 1 898 91 91 GLU CA C 52.879 0.300 1 899 91 91 GLU CB C 29.600 0.300 1 900 91 91 GLU CG C 39.406 0.300 1 901 91 91 GLU N N 121.430 0.300 1 902 92 92 LYS H H 7.811 0.020 1 903 92 92 LYS HA H 4.162 0.020 1 904 92 92 LYS HB2 H 1.520 0.020 2 905 92 92 LYS HB3 H 1.690 0.020 2 906 92 92 LYS HG2 H 0.981 0.020 2 907 92 92 LYS HG3 H 1.235 0.020 2 908 92 92 LYS HD2 H 1.564 0.020 2 909 92 92 LYS HD3 H 1.703 0.020 2 910 92 92 LYS HE2 H 2.864 0.020 2 911 92 92 LYS HE3 H 2.864 0.020 2 912 92 92 LYS C C 174.625 0.300 1 913 92 92 LYS CA C 54.194 0.300 1 914 92 92 LYS CB C 30.310 0.300 1 915 92 92 LYS CG C 23.196 0.300 1 916 92 92 LYS CD C 26.184 0.300 1 917 92 92 LYS CE C 39.402 0.300 1 918 92 92 LYS N N 117.547 0.300 1 919 93 93 SER H H 8.003 0.020 1 920 93 93 SER HA H 3.991 0.020 1 921 93 93 SER HB2 H 3.089 0.020 2 922 93 93 SER HB3 H 3.482 0.020 2 923 93 93 SER HG H 4.366 0.020 1 924 93 93 SER C C 174.908 0.300 1 925 93 93 SER CA C 53.457 0.300 1 926 93 93 SER CB C 61.280 0.300 1 927 93 93 SER N N 114.967 0.300 1 928 94 94 ILE H H 9.066 0.020 1 929 94 94 ILE HA H 4.213 0.020 1 930 94 94 ILE HB H 1.953 0.020 1 931 94 94 ILE HG12 H 1.059 0.020 2 932 94 94 ILE HG13 H 1.202 0.020 2 933 94 94 ILE HG2 H 0.912 0.020 . 934 94 94 ILE HD1 H 0.802 0.020 . 935 94 94 ILE C C 173.932 0.300 1 936 94 94 ILE CA C 60.133 0.300 1 937 94 94 ILE CB C 35.695 0.300 1 938 94 94 ILE CG1 C 23.510 0.300 1 939 94 94 ILE CG2 C 15.255 0.300 1 940 94 94 ILE CD1 C 11.245 0.300 1 941 94 94 ILE N N 121.963 0.300 1 942 95 95 ASN H H 8.017 0.020 1 943 95 95 ASN HA H 4.888 0.020 1 944 95 95 ASN HB2 H 2.549 0.020 2 945 95 95 ASN HB3 H 3.083 0.020 2 946 95 95 ASN HD21 H 7.439 0.020 2 947 95 95 ASN HD22 H 6.529 0.020 2 948 95 95 ASN C C 173.552 0.300 1 949 95 95 ASN CA C 48.970 0.300 1 950 95 95 ASN CB C 36.412 0.300 1 951 95 95 ASN CG C 173.915 0.300 1 952 95 95 ASN N N 117.377 0.300 1 953 95 95 ASN ND2 N 108.984 0.300 1 954 96 96 GLY H H 7.311 0.020 1 955 96 96 GLY HA2 H 3.664 0.020 2 956 96 96 GLY HA3 H 4.091 0.020 2 957 96 96 GLY C C 170.491 0.300 1 958 96 96 GLY CA C 43.048 0.300 1 959 96 96 GLY N N 106.661 0.300 1 960 97 97 VAL H H 7.551 0.020 1 961 97 97 VAL HA H 4.191 0.020 1 962 97 97 VAL HB H 1.878 0.020 1 963 97 97 VAL HG1 H 0.762 0.020 . 964 97 97 VAL HG2 H 0.821 0.020 . 965 97 97 VAL C C 173.482 0.300 1 966 97 97 VAL CA C 58.932 0.300 1 967 97 97 VAL CB C 30.676 0.300 1 968 97 97 VAL CG1 C 18.820 0.300 2 969 97 97 VAL CG2 C 17.708 0.300 2 970 97 97 VAL N N 119.605 0.300 1 971 98 98 GLY H H 8.655 0.020 1 972 98 98 GLY HA2 H 3.746 0.020 2 973 98 98 GLY HA3 H 4.031 0.020 2 974 98 98 GLY C C 169.827 0.300 1 975 98 98 GLY CA C 42.612 0.300 1 976 98 98 GLY N N 115.147 0.300 1 977 99 99 ASP H H 8.530 0.020 1 978 99 99 ASP HA H 4.465 0.020 1 979 99 99 ASP HB2 H 2.620 0.020 2 980 99 99 ASP HB3 H 2.774 0.020 2 981 99 99 ASP C C 172.259 0.300 1 982 99 99 ASP CA C 50.287 0.300 1 983 99 99 ASP CB C 38.909 0.300 1 984 99 99 ASP N N 119.229 0.300 1 985 100 100 GLY H H 8.065 0.020 1 986 100 100 GLY HA2 H 3.045 0.020 2 987 100 100 GLY HA3 H 3.773 0.020 2 988 100 100 GLY C C 167.303 0.300 1 989 100 100 GLY CA C 39.866 0.300 1 990 100 100 GLY N N 109.038 0.300 1 991 101 101 GLU H H 8.192 0.020 1 992 101 101 GLU HA H 3.977 0.020 1 993 101 101 GLU HB2 H 2.295 0.020 2 994 101 101 GLU HB3 H 2.029 0.020 2 995 101 101 GLU HG2 H 2.105 0.020 2 996 101 101 GLU HG3 H 2.304 0.020 2 997 101 101 GLU C C 173.370 0.300 1 998 101 101 GLU CA C 55.141 0.300 1 999 101 101 GLU CB C 30.889 0.300 1 1000 101 101 GLU CG C 33.854 0.300 1 1001 101 101 GLU N N 120.180 0.300 1 1002 102 102 HIS H H 9.908 0.020 1 1003 102 102 HIS HA H 5.185 0.020 1 1004 102 102 HIS HB2 H 3.008 0.020 2 1005 102 102 HIS HB3 H 2.651 0.020 2 1006 102 102 HIS HD1 H 9.343 0.020 1 1007 102 102 HIS HD2 H 7.244 0.020 1 1008 102 102 HIS HE1 H 7.331 0.020 1 1009 102 102 HIS C C 174.307 0.300 1 1010 102 102 HIS CA C 52.679 0.300 1 1011 102 102 HIS CB C 33.514 0.300 1 1012 102 102 HIS CD2 C 114.395 0.300 1 1013 102 102 HIS CE1 C 134.309 0.300 1 1014 102 102 HIS N N 126.644 0.300 1 1015 103 103 TRP H H 9.098 0.020 1 1016 103 103 TRP HA H 4.816 0.020 1 1017 103 103 TRP HB2 H 3.187 0.020 2 1018 103 103 TRP HB3 H 3.129 0.020 2 1019 103 103 TRP HD1 H 7.062 0.020 1 1020 103 103 TRP HE1 H 9.619 0.020 1 1021 103 103 TRP HE3 H 7.040 0.020 1 1022 103 103 TRP HZ2 H 6.968 0.020 1 1023 103 103 TRP HZ3 H 6.830 0.020 1 1024 103 103 TRP HH2 H 6.567 0.020 1 1025 103 103 TRP C C 173.005 0.300 1 1026 103 103 TRP CA C 54.621 0.300 1 1027 103 103 TRP CB C 28.956 0.300 1 1028 103 103 TRP CD1 C 124.185 0.300 1 1029 103 103 TRP CE3 C 115.825 0.300 1 1030 103 103 TRP CZ2 C 111.551 0.300 1 1031 103 103 TRP CZ3 C 120.912 0.300 1 1032 103 103 TRP CH2 C 121.484 0.300 1 1033 103 103 TRP N N 125.439 0.300 1 1034 103 103 TRP NE1 N 130.261 0.300 1 1035 104 104 VAL H H 10.072 0.020 1 1036 104 104 VAL HA H 5.936 0.020 1 1037 104 104 VAL HB H 2.033 0.020 1 1038 104 104 VAL HG1 H 0.842 0.020 . 1039 104 104 VAL HG2 H 0.732 0.020 . 1040 104 104 VAL C C 173.157 0.300 1 1041 104 104 VAL CA C 57.046 0.300 1 1042 104 104 VAL CB C 35.223 0.300 1 1043 104 104 VAL CG1 C 15.786 0.300 2 1044 104 104 VAL CG2 C 20.033 0.300 2 1045 104 104 VAL N N 113.640 0.300 1 1046 105 105 TYR H H 9.042 0.020 1 1047 105 105 TYR HA H 4.445 0.020 1 1048 105 105 TYR HB2 H 2.075 0.020 2 1049 105 105 TYR HB3 H 2.483 0.020 2 1050 105 105 TYR HD1 H 6.697 0.020 3 1051 105 105 TYR HD2 H 6.697 0.020 3 1052 105 105 TYR HE1 H 6.685 0.020 3 1053 105 105 TYR HE2 H 6.685 0.020 3 1054 105 105 TYR C C 171.718 0.300 1 1055 105 105 TYR CA C 56.486 0.300 1 1056 105 105 TYR CB C 40.749 0.300 1 1057 105 105 TYR CD1 C 131.049 0.300 3 1058 105 105 TYR CE1 C 115.476 0.300 3 1059 105 105 TYR N N 123.214 0.300 1 1060 106 106 SER H H 7.675 0.020 1 1061 106 106 SER HA H 5.034 0.020 1 1062 106 106 SER HB2 H 3.428 0.020 2 1063 106 106 SER HB3 H 3.592 0.020 2 1064 106 106 SER C C 170.101 0.300 1 1065 106 106 SER CA C 56.663 0.300 1 1066 106 106 SER CB C 60.890 0.300 1 1067 106 106 SER N N 123.621 0.300 1 1068 107 107 ILE H H 8.755 0.020 1 1069 107 107 ILE HA H 4.559 0.020 1 1070 107 107 ILE HB H 1.835 0.020 1 1071 107 107 ILE HG12 H 1.394 0.020 2 1072 107 107 ILE HG13 H 1.561 0.020 2 1073 107 107 ILE HG2 H 1.103 0.020 . 1074 107 107 ILE HD1 H 1.146 0.020 . 1075 107 107 ILE C C 171.191 0.300 1 1076 107 107 ILE CA C 56.820 0.300 1 1077 107 107 ILE CB C 39.567 0.300 1 1078 107 107 ILE CG1 C 24.439 0.300 1 1079 107 107 ILE CG2 C 16.196 0.300 1 1080 107 107 ILE CD1 C 12.312 0.300 1 1081 107 107 ILE N N 119.859 0.300 1 1082 108 108 THR H H 8.692 0.020 1 1083 108 108 THR HA H 4.803 0.020 1 1084 108 108 THR HB H 3.950 0.020 1 1085 108 108 THR HG2 H 0.921 0.020 . 1086 108 108 THR C C 170.167 0.300 1 1087 108 108 THR CA C 56.354 0.300 1 1088 108 108 THR CB C 67.243 0.300 1 1089 108 108 THR CG2 C 18.242 0.300 1 1090 108 108 THR N N 118.462 0.300 1 1091 109 109 PRO HA H 4.181 0.020 1 1092 109 109 PRO HB2 H 1.836 0.020 2 1093 109 109 PRO HB3 H 2.062 0.020 2 1094 109 109 PRO HG2 H 1.401 0.020 2 1095 109 109 PRO HG3 H 1.793 0.020 2 1096 109 109 PRO HD2 H 3.550 0.020 2 1097 109 109 PRO HD3 H 4.011 0.020 2 1098 109 109 PRO C C 171.335 0.300 1 1099 109 109 PRO CA C 59.664 0.300 1 1100 109 109 PRO CB C 29.828 0.300 1 1101 109 109 PRO CG C 24.297 0.300 1 1102 109 109 PRO CD C 48.264 0.300 1 1103 110 110 ASP H H 8.965 0.020 1 1104 110 110 ASP HA H 4.971 0.020 1 1105 110 110 ASP HB2 H 2.684 0.020 2 1106 110 110 ASP HB3 H 2.992 0.020 2 1107 110 110 ASP C C 174.045 0.300 1 1108 110 110 ASP CA C 49.837 0.300 1 1109 110 110 ASP CB C 40.210 0.300 1 1110 110 110 ASP N N 123.374 0.300 1 1111 111 111 SER H H 8.226 0.020 1 1112 111 111 SER HA H 4.173 0.020 1 1113 111 111 SER HB2 H 3.818 0.020 2 1114 111 111 SER HB3 H 3.938 0.020 2 1115 111 111 SER C C 171.582 0.300 1 1116 111 111 SER CA C 58.137 0.300 1 1117 111 111 SER CB C 60.860 0.300 1 1118 111 111 SER N N 112.070 0.300 1 1119 112 112 SER H H 7.869 0.020 1 1120 112 112 SER HA H 4.682 0.020 1 1121 112 112 SER HB2 H 3.695 0.020 2 1122 112 112 SER HB3 H 3.815 0.020 2 1123 112 112 SER C C 170.184 0.300 1 1124 112 112 SER CA C 53.779 0.300 1 1125 112 112 SER CB C 62.682 0.300 1 1126 112 112 SER N N 116.702 0.300 1 1127 113 113 TRP H H 8.260 0.020 1 1128 113 113 TRP HA H 4.355 0.020 1 1129 113 113 TRP HB2 H 2.980 0.020 2 1130 113 113 TRP HB3 H 3.130 0.020 2 1131 113 113 TRP HD1 H 7.335 0.020 1 1132 113 113 TRP HE1 H 10.124 0.020 1 1133 113 113 TRP HE3 H 6.719 0.020 1 1134 113 113 TRP HZ2 H 6.980 0.020 1 1135 113 113 TRP HZ3 H 7.258 0.020 1 1136 113 113 TRP HH2 H 6.567 0.020 1 1137 113 113 TRP C C 174.499 0.300 1 1138 113 113 TRP CA C 56.619 0.300 1 1139 113 113 TRP CB C 27.001 0.300 1 1140 113 113 TRP CD1 C 125.029 0.300 1 1141 113 113 TRP CZ2 C 111.154 0.300 1 1142 113 113 TRP N N 120.476 0.300 1 1143 113 113 TRP NE1 N 128.369 0.300 1 1144 114 114 LYS H H 8.603 0.020 1 1145 114 114 LYS HA H 4.682 0.020 1 1146 114 114 LYS HB2 H 1.797 0.020 2 1147 114 114 LYS HB3 H 1.736 0.020 2 1148 114 114 LYS HG2 H 1.499 0.020 2 1149 114 114 LYS HG3 H 1.499 0.020 2 1150 114 114 LYS HD2 H 1.489 0.020 2 1151 114 114 LYS HD3 H 1.717 0.020 2 1152 114 114 LYS HE2 H 2.965 0.020 2 1153 114 114 LYS HE3 H 3.032 0.020 2 1154 114 114 LYS C C 172.549 0.300 1 1155 114 114 LYS CA C 52.647 0.300 1 1156 114 114 LYS CB C 33.929 0.300 1 1157 114 114 LYS CG C 22.377 0.300 1 1158 114 114 LYS CD C 26.378 0.300 1 1159 114 114 LYS CE C 39.399 0.300 1 1160 114 114 LYS N N 123.347 0.300 1 1161 115 115 THR H H 8.618 0.020 1 1162 115 115 THR HA H 5.022 0.020 1 1163 115 115 THR HB H 3.728 0.020 1 1164 115 115 THR HG2 H 0.979 0.020 . 1165 115 115 THR C C 171.606 0.300 1 1166 115 115 THR CA C 59.400 0.300 1 1167 115 115 THR CB C 66.700 0.300 1 1168 115 115 THR CG2 C 19.733 0.300 1 1169 115 115 THR N N 120.692 0.300 1 1170 116 116 ILE H H 9.357 0.020 1 1171 116 116 ILE HA H 3.942 0.020 1 1172 116 116 ILE HB H 1.152 0.020 1 1173 116 116 ILE HG12 H 1.268 0.020 . 1174 116 116 ILE HG13 H 1.268 0.020 . 1175 116 116 ILE HG2 H 0.510 0.020 . 1176 116 116 ILE HD1 H 0.739 0.020 . 1177 116 116 ILE C C 170.665 0.300 1 1178 116 116 ILE CA C 56.163 0.300 1 1179 116 116 ILE CB C 33.970 0.300 1 1180 116 116 ILE CG1 C 24.459 0.300 1 1181 116 116 ILE CG2 C 13.839 0.300 1 1182 116 116 ILE CD1 C 8.262 0.300 1 1183 116 116 ILE N N 132.182 0.300 1 1184 117 117 GLU H H 7.986 0.020 1 1185 117 117 GLU HA H 4.668 0.020 1 1186 117 117 GLU HB2 H 1.757 0.020 2 1187 117 117 GLU HB3 H 1.495 0.020 2 1188 117 117 GLU HG2 H 1.755 0.020 2 1189 117 117 GLU HG3 H 1.965 0.020 2 1190 117 117 GLU C C 173.180 0.300 1 1191 117 117 GLU CA C 51.479 0.300 1 1192 117 117 GLU CB C 29.301 0.300 1 1193 117 117 GLU CG C 33.840 0.300 1 1194 117 117 GLU N N 124.224 0.300 1 1195 118 118 ILE H H 9.208 0.020 1 1196 118 118 ILE HA H 4.207 0.020 1 1197 118 118 ILE HB H 1.548 0.020 1 1198 118 118 ILE HG12 H -0.039 0.020 2 1199 118 118 ILE HG13 H 0.953 0.020 2 1200 118 118 ILE HG2 H -0.395 0.020 . 1201 118 118 ILE HD1 H 0.457 0.020 . 1202 118 118 ILE C C 171.539 0.300 1 1203 118 118 ILE CA C 55.340 0.300 1 1204 118 118 ILE CB C 37.096 0.300 1 1205 118 118 ILE CG1 C 23.275 0.300 1 1206 118 118 ILE CG2 C 15.805 0.300 1 1207 118 118 ILE CD1 C 12.110 0.300 1 1208 118 118 ILE N N 125.305 0.300 1 1209 119 119 PRO HA H 4.185 0.020 1 1210 119 119 PRO HB2 H 1.862 0.020 2 1211 119 119 PRO HB3 H 2.273 0.020 2 1212 119 119 PRO HG2 H 2.139 0.020 2 1213 119 119 PRO HG3 H 2.038 0.020 2 1214 119 119 PRO HD2 H 3.574 0.020 2 1215 119 119 PRO HD3 H 3.699 0.020 2 1216 119 119 PRO C C 176.546 0.300 1 1217 119 119 PRO CA C 59.165 0.300 1 1218 119 119 PRO CB C 28.703 0.300 1 1219 119 119 PRO CG C 24.436 0.300 1 1220 119 119 PRO CD C 48.267 0.300 1 1221 120 120 PHE H H 8.057 0.020 1 1222 120 120 PHE HA H 4.835 0.020 1 1223 120 120 PHE HB2 H 2.952 0.020 2 1224 120 120 PHE HB3 H 3.239 0.020 2 1225 120 120 PHE HD1 H 7.081 0.020 3 1226 120 120 PHE HD2 H 7.081 0.020 3 1227 120 120 PHE HE1 H 6.710 0.020 3 1228 120 120 PHE HE2 H 6.710 0.020 3 1229 120 120 PHE C C 175.393 0.300 1 1230 120 120 PHE CA C 58.828 0.300 1 1231 120 120 PHE CB C 34.994 0.300 1 1232 120 120 PHE CD1 C 128.438 0.300 3 1233 120 120 PHE N N 124.941 0.300 1 1234 121 121 SER H H 8.238 0.020 1 1235 121 121 SER HA H 4.428 0.020 1 1236 121 121 SER HB2 H 3.951 0.020 2 1237 121 121 SER HB3 H 4.202 0.020 2 1238 121 121 SER C C 173.065 0.300 1 1239 121 121 SER CA C 57.242 0.300 1 1240 121 121 SER CB C 60.389 0.300 1 1241 121 121 SER N N 110.582 0.300 1 1242 122 122 SER H H 8.407 0.020 1 1243 122 122 SER HA H 4.720 0.020 1 1244 122 122 SER HB2 H 3.812 0.020 2 1245 122 122 SER HB3 H 4.116 0.020 2 1246 122 122 SER C C 172.145 0.300 1 1247 122 122 SER CA C 57.380 0.300 1 1248 122 122 SER CB C 61.330 0.300 1 1249 122 122 SER N N 117.167 0.300 1 1250 123 123 PHE H H 7.663 0.020 1 1251 123 123 PHE HA H 4.438 0.020 1 1252 123 123 PHE HB2 H 3.303 0.020 2 1253 123 123 PHE HB3 H 3.491 0.020 2 1254 123 123 PHE HD1 H 7.511 0.020 3 1255 123 123 PHE HD2 H 7.511 0.020 3 1256 123 123 PHE HE1 H 7.345 0.020 3 1257 123 123 PHE HE2 H 7.345 0.020 3 1258 123 123 PHE HZ H 7.095 0.020 1 1259 123 123 PHE C C 173.487 0.300 1 1260 123 123 PHE CA C 58.515 0.300 1 1261 123 123 PHE CB C 38.214 0.300 1 1262 123 123 PHE CD1 C 129.113 0.300 3 1263 123 123 PHE CE1 C 129.109 0.300 3 1264 123 123 PHE N N 119.784 0.300 1 1265 124 124 ARG H H 9.095 0.020 1 1266 124 124 ARG HA H 5.152 0.020 1 1267 124 124 ARG HB2 H 1.813 0.020 2 1268 124 124 ARG HB3 H 1.936 0.020 2 1269 124 124 ARG HG2 H 1.805 0.020 2 1270 124 124 ARG HG3 H 1.805 0.020 2 1271 124 124 ARG HD2 H 3.294 0.020 2 1272 124 124 ARG HD3 H 3.384 0.020 2 1273 124 124 ARG HE H 7.015 0.020 1 1274 124 124 ARG C C 172.303 0.300 1 1275 124 124 ARG CA C 50.922 0.300 1 1276 124 124 ARG CB C 30.461 0.300 1 1277 124 124 ARG CG C 24.297 0.300 1 1278 124 124 ARG CD C 40.534 0.300 1 1279 124 124 ARG N N 120.152 0.300 1 1280 125 125 ARG H H 8.485 0.020 1 1281 125 125 ARG HA H 2.688 0.020 1 1282 125 125 ARG HB2 H 0.639 0.020 2 1283 125 125 ARG HB3 H 1.131 0.020 2 1284 125 125 ARG HG2 H 0.305 0.020 2 1285 125 125 ARG HG3 H 0.845 0.020 2 1286 125 125 ARG HD2 H 2.817 0.020 2 1287 125 125 ARG HD3 H 2.817 0.020 2 1288 125 125 ARG C C 174.177 0.300 1 1289 125 125 ARG CA C 54.626 0.300 1 1290 125 125 ARG CB C 27.081 0.300 1 1291 125 125 ARG CG C 24.926 0.300 1 1292 125 125 ARG CD C 40.573 0.300 1 1293 125 125 ARG N N 126.671 0.300 1 1294 126 126 ARG H H 7.756 0.020 1 1295 126 126 ARG HA H 3.742 0.020 1 1296 126 126 ARG HB2 H 1.223 0.020 2 1297 126 126 ARG HB3 H 2.391 0.020 2 1298 126 126 ARG HG2 H 1.612 0.020 2 1299 126 126 ARG HG3 H 1.686 0.020 2 1300 126 126 ARG HD2 H 2.858 0.020 2 1301 126 126 ARG HD3 H 2.858 0.020 2 1302 126 126 ARG C C 173.837 0.300 1 1303 126 126 ARG CA C 55.420 0.300 1 1304 126 126 ARG CB C 29.413 0.300 1 1305 126 126 ARG CG C 25.687 0.300 1 1306 126 126 ARG CD C 42.538 0.300 1 1307 126 126 ARG N N 126.533 0.300 1 1308 127 127 LEU H H 8.746 0.020 1 1309 127 127 LEU HA H 4.411 0.020 1 1310 127 127 LEU HB2 H 1.425 0.020 2 1311 127 127 LEU HB3 H 1.645 0.020 2 1312 127 127 LEU HG H 1.710 0.020 1 1313 127 127 LEU HD1 H 0.854 0.020 . 1314 127 127 LEU HD2 H 0.718 0.020 . 1315 127 127 LEU C C 175.632 0.300 1 1316 127 127 LEU CA C 52.824 0.300 1 1317 127 127 LEU CB C 40.994 0.300 1 1318 127 127 LEU CG C 23.254 0.300 1 1319 127 127 LEU CD1 C 22.252 0.300 2 1320 127 127 LEU CD2 C 19.894 0.300 2 1321 127 127 LEU N N 124.291 0.300 1 1322 128 128 ASP H H 8.923 0.020 1 1323 128 128 ASP HA H 4.346 0.020 1 1324 128 128 ASP HB2 H 2.736 0.020 2 1325 128 128 ASP HB3 H 2.622 0.020 2 1326 128 128 ASP C C 172.299 0.300 1 1327 128 128 ASP CA C 52.295 0.300 1 1328 128 128 ASP CB C 36.198 0.300 1 1329 128 128 ASP N N 116.139 0.300 1 1330 129 129 TYR H H 6.808 0.020 1 1331 129 129 TYR HA H 4.158 0.020 1 1332 129 129 TYR HB2 H 3.120 0.020 2 1333 129 129 TYR HB3 H 1.834 0.020 2 1334 129 129 TYR HD1 H 6.782 0.020 3 1335 129 129 TYR HD2 H 6.782 0.020 3 1336 129 129 TYR HE1 H 6.457 0.020 3 1337 129 129 TYR HE2 H 6.457 0.020 3 1338 129 129 TYR C C 169.718 0.300 1 1339 129 129 TYR CA C 56.097 0.300 1 1340 129 129 TYR CB C 38.202 0.300 1 1341 129 129 TYR CD1 C 129.746 0.300 3 1342 129 129 TYR CE1 C 114.967 0.300 3 1343 129 129 TYR N N 119.358 0.300 1 1344 130 130 GLN H H 6.138 0.020 1 1345 130 130 GLN HA H 3.665 0.020 1 1346 130 130 GLN HB2 H 1.023 0.020 2 1347 130 130 GLN HB3 H 1.517 0.020 2 1348 130 130 GLN HE21 H 7.545 0.020 2 1349 130 130 GLN HE22 H 6.929 0.020 2 1350 130 130 GLN C C 170.005 0.300 1 1351 130 130 GLN CA C 49.525 0.300 1 1352 130 130 GLN CB C 29.471 0.300 1 1353 130 130 GLN CG C 28.560 0.300 1 1354 130 130 GLN N N 121.192 0.300 1 1355 130 130 GLN NE2 N 107.537 0.300 1 1356 132 132 PRO HA H 4.202 0.020 1 1357 132 132 PRO HB2 H 1.852 0.020 2 1358 132 132 PRO HB3 H 2.278 0.020 2 1359 132 132 PRO HG2 H 2.072 0.020 2 1360 132 132 PRO HG3 H 1.995 0.020 2 1361 132 132 PRO HD2 H 3.615 0.020 2 1362 132 132 PRO HD3 H 3.743 0.020 2 1363 132 132 PRO C C 175.618 0.300 1 1364 132 132 PRO CA C 61.875 0.300 1 1365 132 132 PRO CB C 28.813 0.300 1 1366 132 132 PRO CG C 24.727 0.300 1 1367 132 132 PRO CD C 47.378 0.300 1 1368 133 133 GLY H H 8.204 0.020 1 1369 133 133 GLY HA2 H 3.793 0.020 2 1370 133 133 GLY HA3 H 4.061 0.020 2 1371 133 133 GLY C C 170.992 0.300 1 1372 133 133 GLY CA C 42.218 0.300 1 1373 133 133 GLY N N 104.622 0.300 1 1374 134 134 GLN H H 7.066 0.020 1 1375 134 134 GLN HA H 4.167 0.020 1 1376 134 134 GLN HB2 H 1.650 0.020 2 1377 134 134 GLN HB3 H 2.239 0.020 2 1378 134 134 GLN HG2 H 2.144 0.020 2 1379 134 134 GLN HG3 H 2.144 0.020 2 1380 134 134 GLN HE21 H 7.228 0.020 2 1381 134 134 GLN HE22 H 6.575 0.020 2 1382 134 134 GLN C C 172.738 0.300 1 1383 134 134 GLN CA C 53.658 0.300 1 1384 134 134 GLN CB C 24.577 0.300 1 1385 134 134 GLN CG C 33.285 0.300 1 1386 134 134 GLN CD C 174.969 0.300 1 1387 134 134 GLN N N 116.451 0.300 1 1388 134 134 GLN NE2 N 108.763 0.300 1 1389 135 135 ASP H H 8.722 0.020 1 1390 135 135 ASP HA H 4.153 0.020 1 1391 135 135 ASP HB2 H 2.957 0.020 2 1392 135 135 ASP HB3 H 2.957 0.020 2 1393 135 135 ASP C C 174.168 0.300 1 1394 135 135 ASP CA C 51.528 0.300 1 1395 135 135 ASP CB C 36.519 0.300 1 1396 135 135 ASP N N 118.307 0.300 1 1397 136 136 MET H H 7.380 0.020 1 1398 136 136 MET HA H 3.852 0.020 1 1399 136 136 MET HB2 H 1.999 0.020 2 1400 136 136 MET HB3 H 2.234 0.020 2 1401 136 136 MET HG2 H 2.289 0.020 2 1402 136 136 MET HG3 H 2.289 0.020 2 1403 136 136 MET C C 174.110 0.300 1 1404 136 136 MET CA C 54.294 0.300 1 1405 136 136 MET CB C 29.105 0.300 1 1406 136 136 MET CG C 29.714 0.300 1 1407 136 136 MET N N 114.437 0.300 1 1408 137 137 SER H H 9.002 0.020 1 1409 137 137 SER HA H 4.183 0.020 1 1410 137 137 SER HB2 H 3.628 0.020 2 1411 137 137 SER HB3 H 3.840 0.020 2 1412 137 137 SER C C 174.679 0.300 1 1413 137 137 SER CA C 57.691 0.300 1 1414 137 137 SER CB C 62.156 0.300 1 1415 137 137 SER N N 118.197 0.300 1 1416 138 138 GLY H H 10.464 0.020 1 1417 138 138 GLY HA2 H 3.542 0.020 2 1418 138 138 GLY HA3 H 4.163 0.020 2 1419 138 138 GLY C C 170.740 0.300 1 1420 138 138 GLY CA C 44.014 0.300 1 1421 138 138 GLY N N 114.627 0.300 1 1422 139 139 THR H H 8.316 0.020 1 1423 139 139 THR HA H 4.316 0.020 1 1424 139 139 THR HB H 3.953 0.020 1 1425 139 139 THR HG2 H 1.065 0.020 . 1426 139 139 THR C C 167.706 0.300 1 1427 139 139 THR CA C 56.872 0.300 1 1428 139 139 THR CB C 68.681 0.300 1 1429 139 139 THR CG2 C 18.865 0.300 1 1430 139 139 THR N N 112.487 0.300 1 1431 140 140 LEU H H 7.781 0.020 1 1432 140 140 LEU HA H 3.541 0.020 1 1433 140 140 LEU HB2 H -1.119 0.020 2 1434 140 140 LEU HB3 H 0.789 0.020 2 1435 140 140 LEU HG H 0.029 0.020 1 1436 140 140 LEU HD1 H 0.304 0.020 . 1437 140 140 LEU HD2 H 0.627 0.020 . 1438 140 140 LEU C C 171.936 0.300 1 1439 140 140 LEU CA C 50.995 0.300 1 1440 140 140 LEU CB C 35.512 0.300 1 1441 140 140 LEU CG C 18.852 0.300 1 1442 140 140 LEU CD1 C 22.999 0.300 2 1443 140 140 LEU CD2 C 23.746 0.300 2 1444 140 140 LEU N N 129.766 0.300 1 1445 141 141 ASP H H 8.954 0.020 1 1446 141 141 ASP HA H 4.484 0.020 1 1447 141 141 ASP HB2 H 2.380 0.020 2 1448 141 141 ASP HB3 H 2.471 0.020 2 1449 141 141 ASP C C 171.901 0.300 1 1450 141 141 ASP CA C 51.431 0.300 1 1451 141 141 ASP CB C 38.219 0.300 1 1452 141 141 ASP N N 132.063 0.300 1 1453 142 142 LEU H H 7.702 0.020 1 1454 142 142 LEU HA H 3.540 0.020 1 1455 142 142 LEU HB2 H 1.087 0.020 2 1456 142 142 LEU HB3 H 1.426 0.020 2 1457 142 142 LEU HG H -0.022 0.020 1 1458 142 142 LEU HD1 H 0.811 0.020 . 1459 142 142 LEU HD2 H 1.301 0.020 . 1460 142 142 LEU C C 172.708 0.300 1 1461 142 142 LEU CA C 53.629 0.300 1 1462 142 142 LEU CB C 39.628 0.300 1 1463 142 142 LEU CG C 18.267 0.300 1 1464 142 142 LEU CD1 C 22.958 0.300 2 1465 142 142 LEU CD2 C 24.061 0.300 2 1466 142 142 LEU N N 122.475 0.300 1 1467 143 143 ASP H H 8.253 0.020 1 1468 143 143 ASP HA H 4.718 0.020 1 1469 143 143 ASP HB2 H 2.412 0.020 2 1470 143 143 ASP HB3 H 2.743 0.020 2 1471 143 143 ASP C C 173.424 0.300 1 1472 143 143 ASP CA C 50.882 0.300 1 1473 143 143 ASP CB C 37.017 0.300 1 1474 143 143 ASP N N 112.399 0.300 1 1475 144 144 ASN H H 7.681 0.020 1 1476 144 144 ASN HA H 4.881 0.020 1 1477 144 144 ASN HB2 H 2.117 0.020 2 1478 144 144 ASN HB3 H 2.737 0.020 2 1479 144 144 ASN HD21 H 7.601 0.020 2 1480 144 144 ASN HD22 H 6.600 0.020 2 1481 144 144 ASN C C 171.019 0.300 1 1482 144 144 ASN CA C 49.153 0.300 1 1483 144 144 ASN CB C 37.920 0.300 1 1484 144 144 ASN N N 120.693 0.300 1 1485 144 144 ASN ND2 N 111.913 0.300 1 1486 145 145 ILE H H 8.703 0.020 1 1487 145 145 ILE HA H 3.597 0.020 1 1488 145 145 ILE HB H 0.955 0.020 1 1489 145 145 ILE HG12 H 0.199 0.020 2 1490 145 145 ILE HG13 H 1.116 0.020 2 1491 145 145 ILE HG2 H -0.326 0.020 . 1492 145 145 ILE HD1 H 0.001 0.020 . 1493 145 145 ILE C C 172.200 0.300 1 1494 145 145 ILE CA C 57.637 0.300 1 1495 145 145 ILE CB C 32.982 0.300 1 1496 145 145 ILE CG1 C 22.418 0.300 1 1497 145 145 ILE CG2 C 14.567 0.300 1 1498 145 145 ILE CD1 C 6.749 0.300 1 1499 145 145 ILE N N 122.946 0.300 1 1500 146 146 ASP H H 9.194 0.020 1 1501 146 146 ASP HA H 4.431 0.020 1 1502 146 146 ASP HB2 H 2.030 0.020 2 1503 146 146 ASP HB3 H 2.356 0.020 2 1504 146 146 ASP C C 172.775 0.300 1 1505 146 146 ASP CA C 53.026 0.300 1 1506 146 146 ASP CB C 43.625 0.300 1 1507 146 146 ASP N N 125.274 0.300 1 1508 147 147 SER H H 7.765 0.020 1 1509 147 147 SER HA H 4.851 0.020 1 1510 147 147 SER HB2 H 3.212 0.020 2 1511 147 147 SER HB3 H 3.727 0.020 2 1512 147 147 SER C C 169.692 0.300 1 1513 147 147 SER CA C 54.325 0.300 1 1514 147 147 SER CB C 62.346 0.300 1 1515 147 147 SER N N 108.415 0.300 1 1516 148 148 ILE H H 7.831 0.020 1 1517 148 148 ILE HA H 5.463 0.020 1 1518 148 148 ILE HB H 2.017 0.020 1 1519 148 148 ILE HG12 H 1.921 0.020 . 1520 148 148 ILE HG13 H 1.921 0.020 . 1521 148 148 ILE HG2 H 1.164 0.020 . 1522 148 148 ILE HD1 H 1.308 0.020 . 1523 148 148 ILE C C 171.705 0.300 1 1524 148 148 ILE CA C 56.312 0.300 1 1525 148 148 ILE CB C 38.556 0.300 1 1526 148 148 ILE CG1 C 22.648 0.300 1 1527 148 148 ILE CG2 C 17.719 0.300 1 1528 148 148 ILE CD1 C 11.567 0.300 1 1529 148 148 ILE N N 109.704 0.300 1 1530 149 149 HIS H H 9.155 0.020 1 1531 149 149 HIS HA H 6.324 0.020 1 1532 149 149 HIS HB2 H 2.674 0.020 2 1533 149 149 HIS HB3 H 3.077 0.020 2 1534 149 149 HIS HD1 H 9.482 0.020 1 1535 149 149 HIS HD2 H 6.273 0.020 1 1536 149 149 HIS HE1 H 7.493 0.020 1 1537 149 149 HIS C C 174.039 0.300 1 1538 149 149 HIS CA C 51.670 0.300 1 1539 149 149 HIS CB C 33.792 0.300 1 1540 149 149 HIS CD2 C 113.271 0.300 1 1541 149 149 HIS CE1 C 134.212 0.300 1 1542 149 149 HIS N N 118.204 0.300 1 1543 150 150 PHE H H 8.623 0.020 1 1544 150 150 PHE HA H 5.295 0.020 1 1545 150 150 PHE HB2 H 3.059 0.020 2 1546 150 150 PHE HB3 H 3.248 0.020 2 1547 150 150 PHE HD1 H 7.090 0.020 3 1548 150 150 PHE HD2 H 7.090 0.020 3 1549 150 150 PHE C C 172.559 0.300 1 1550 150 150 PHE CA C 56.294 0.300 1 1551 150 150 PHE CB C 39.053 0.300 1 1552 150 150 PHE N N 116.683 0.300 1 1553 151 151 MET H H 9.610 0.020 1 1554 151 151 MET HA H 4.459 0.020 1 1555 151 151 MET HB2 H 1.783 0.020 2 1556 151 151 MET HB3 H 2.315 0.020 2 1557 151 151 MET HG2 H 2.216 0.020 2 1558 151 151 MET HG3 H 2.152 0.020 2 1559 151 151 MET C C 170.023 0.300 1 1560 151 151 MET CA C 51.942 0.300 1 1561 151 151 MET CB C 34.707 0.300 1 1562 151 151 MET CG C 27.716 0.300 1 1563 151 151 MET N N 119.683 0.300 1 1564 152 152 TYR H H 6.114 0.020 1 1565 152 152 TYR HA H 3.877 0.020 1 1566 152 152 TYR HB2 H 1.481 0.020 2 1567 152 152 TYR HB3 H 2.789 0.020 2 1568 152 152 TYR HD1 H 7.098 0.020 3 1569 152 152 TYR HD2 H 7.098 0.020 3 1570 152 152 TYR HE1 H 6.694 0.020 3 1571 152 152 TYR HE2 H 6.694 0.020 3 1572 152 152 TYR C C 171.384 0.300 1 1573 152 152 TYR CA C 55.106 0.300 1 1574 152 152 TYR CB C 36.669 0.300 1 1575 152 152 TYR CD2 C 128.859 0.300 3 1576 152 152 TYR CE2 C 116.445 0.300 3 1577 152 152 TYR N N 116.891 0.300 1 1578 153 153 ALA H H 9.909 0.020 1 1579 153 153 ALA HA H 3.950 0.020 1 1580 153 153 ALA HB H 1.103 0.020 . 1581 153 153 ALA C C 173.685 0.300 1 1582 153 153 ALA CA C 48.918 0.300 1 1583 153 153 ALA CB C 19.782 0.300 1 1584 153 153 ALA N N 121.133 0.300 1 1585 154 154 ASN H H 7.961 0.020 1 1586 154 154 ASN HA H 4.997 0.020 1 1587 154 154 ASN HB2 H 3.176 0.020 2 1588 154 154 ASN HB3 H 3.092 0.020 2 1589 154 154 ASN HD21 H 7.967 0.020 . 1590 154 154 ASN HD22 H 7.967 0.020 . 1591 154 154 ASN C C 173.122 0.300 1 1592 154 154 ASN CA C 49.762 0.300 1 1593 154 154 ASN CB C 36.515 0.300 1 1594 154 154 ASN CG C 173.905 0.300 1 1595 154 154 ASN N N 114.548 0.300 1 1596 154 154 ASN ND2 N 114.113 0.300 1 1597 155 155 ASN H H 8.504 0.020 1 1598 155 155 ASN HA H 4.729 0.020 1 1599 155 155 ASN HB2 H 2.660 0.020 2 1600 155 155 ASN HB3 H 2.877 0.020 2 1601 155 155 ASN HD21 H 7.403 0.020 2 1602 155 155 ASN HD22 H 6.887 0.020 2 1603 155 155 ASN C C 172.429 0.300 1 1604 155 155 ASN CA C 50.297 0.300 1 1605 155 155 ASN CB C 35.044 0.300 1 1606 155 155 ASN CG C 174.643 0.300 1 1607 155 155 ASN N N 116.529 0.300 1 1608 155 155 ASN ND2 N 111.288 0.300 1 1609 156 156 LYS H H 8.163 0.020 1 1610 156 156 LYS HA H 4.542 0.020 1 1611 156 156 LYS HB2 H 2.080 0.020 2 1612 156 156 LYS HB3 H 2.080 0.020 2 1613 156 156 LYS HG2 H 1.442 0.020 2 1614 156 156 LYS HG3 H 1.442 0.020 2 1615 156 156 LYS HD2 H 1.694 0.020 2 1616 156 156 LYS HD3 H 1.694 0.020 2 1617 156 156 LYS HE2 H 3.042 0.020 2 1618 156 156 LYS HE3 H 3.042 0.020 2 1619 156 156 LYS C C 173.806 0.300 1 1620 156 156 LYS CA C 53.672 0.300 1 1621 156 156 LYS CB C 30.240 0.300 1 1622 156 156 LYS CG C 26.964 0.300 1 1623 156 156 LYS CD C 25.903 0.300 1 1624 156 156 LYS CE C 39.517 0.300 1 1625 156 156 LYS N N 119.037 0.300 1 1626 157 157 SER H H 8.170 0.020 1 1627 157 157 SER HA H 4.846 0.020 1 1628 157 157 SER HB2 H 3.638 0.020 2 1629 157 157 SER HB3 H 3.919 0.020 2 1630 157 157 SER C C 169.662 0.300 1 1631 157 157 SER CA C 55.522 0.300 1 1632 157 157 SER CB C 62.860 0.300 1 1633 157 157 SER N N 115.687 0.300 1 1634 158 158 GLY H H 6.737 0.020 1 1635 158 158 GLY HA2 H 3.540 0.020 2 1636 158 158 GLY HA3 H 3.923 0.020 2 1637 158 158 GLY C C 168.077 0.300 1 1638 158 158 GLY CA C 43.379 0.300 1 1639 158 158 GLY N N 108.011 0.300 1 1640 159 159 LYS H H 7.692 0.020 1 1641 159 159 LYS HA H 5.322 0.020 1 1642 159 159 LYS HB2 H 1.285 0.020 2 1643 159 159 LYS HB3 H 1.394 0.020 2 1644 159 159 LYS HG2 H 0.967 0.020 2 1645 159 159 LYS HG3 H 1.116 0.020 2 1646 159 159 LYS HD2 H 1.244 0.020 2 1647 159 159 LYS HD3 H 1.330 0.020 2 1648 159 159 LYS HE2 H 2.651 0.020 2 1649 159 159 LYS HE3 H 2.651 0.020 2 1650 159 159 LYS C C 172.738 0.300 1 1651 159 159 LYS CA C 52.823 0.300 1 1652 159 159 LYS CB C 34.410 0.300 1 1653 159 159 LYS CG C 21.804 0.300 1 1654 159 159 LYS CD C 26.786 0.300 1 1655 159 159 LYS CE C 38.558 0.300 1 1656 159 159 LYS N N 116.527 0.300 1 1657 160 160 PHE H H 8.645 0.020 1 1658 160 160 PHE HA H 5.307 0.020 1 1659 160 160 PHE HB2 H 2.880 0.020 2 1660 160 160 PHE HB3 H 2.880 0.020 2 1661 160 160 PHE HD1 H 6.895 0.020 3 1662 160 160 PHE HD2 H 6.895 0.020 3 1663 160 160 PHE HE1 H 6.650 0.020 3 1664 160 160 PHE HE2 H 6.650 0.020 3 1665 160 160 PHE C C 167.848 0.300 1 1666 160 160 PHE CA C 53.005 0.300 1 1667 160 160 PHE CB C 38.936 0.300 1 1668 160 160 PHE N N 121.737 0.300 1 1669 161 161 VAL H H 9.139 0.020 1 1670 161 161 VAL HA H 5.163 0.020 1 1671 161 161 VAL HB H 1.419 0.020 1 1672 161 161 VAL HG1 H 0.641 0.020 . 1673 161 161 VAL C C 170.425 0.300 1 1674 161 161 VAL CA C 56.417 0.300 1 1675 161 161 VAL CB C 31.741 0.300 1 1676 161 161 VAL CG1 C 18.859 0.300 2 1677 161 161 VAL CG2 C 18.605 0.300 2 1678 161 161 VAL N N 119.613 0.300 1 1679 162 162 VAL H H 8.260 0.020 1 1680 162 162 VAL HA H 5.772 0.020 1 1681 162 162 VAL HB H 1.614 0.020 1 1682 162 162 VAL HG1 H 0.551 0.020 . 1683 162 162 VAL HG2 H 0.637 0.020 . 1684 162 162 VAL C C 170.672 0.300 1 1685 162 162 VAL CA C 55.473 0.300 1 1686 162 162 VAL CB C 33.586 0.300 1 1687 162 162 VAL CG1 C 18.935 0.300 2 1688 162 162 VAL CG2 C 17.911 0.300 2 1689 162 162 VAL N N 121.100 0.300 1 1690 163 163 ASP H H 9.062 0.020 1 1691 163 163 ASP HA H 5.400 0.020 1 1692 163 163 ASP HB2 H 2.483 0.020 2 1693 163 163 ASP HB3 H 2.409 0.020 2 1694 163 163 ASP C C 172.263 0.300 1 1695 163 163 ASP CA C 49.125 0.300 1 1696 163 163 ASP CB C 42.234 0.300 1 1697 163 163 ASP N N 119.011 0.300 1 1698 164 164 ASN H H 9.715 0.020 1 1699 164 164 ASN HA H 4.477 0.020 1 1700 164 164 ASN HB2 H 2.459 0.020 2 1701 164 164 ASN HB3 H 3.010 0.020 2 1702 164 164 ASN HD21 H 8.422 0.020 2 1703 164 164 ASN HD22 H 6.381 0.020 2 1704 164 164 ASN C C 170.700 0.300 1 1705 164 164 ASN CA C 52.415 0.300 1 1706 164 164 ASN CB C 35.103 0.300 1 1707 164 164 ASN CG C 176.165 0.300 1 1708 164 164 ASN N N 117.226 0.300 1 1709 164 164 ASN ND2 N 114.915 0.300 1 1710 165 165 ILE H H 8.526 0.020 1 1711 165 165 ILE HA H 5.254 0.020 1 1712 165 165 ILE HB H 2.109 0.020 1 1713 165 165 ILE HG12 H 2.224 0.020 . 1714 165 165 ILE HG13 H 2.224 0.020 . 1715 165 165 ILE HG2 H 1.244 0.020 . 1716 165 165 ILE HD1 H 1.535 0.020 . 1717 165 165 ILE C C 173.072 0.300 1 1718 165 165 ILE CA C 58.897 0.300 1 1719 165 165 ILE CB C 34.943 0.300 1 1720 165 165 ILE CG1 C 25.398 0.300 1 1721 165 165 ILE CG2 C 15.313 0.300 1 1722 165 165 ILE CD1 C 13.986 0.300 1 1723 165 165 ILE N N 118.386 0.300 1 1724 166 166 LYS H H 9.791 0.020 1 1725 166 166 LYS HA H 4.978 0.020 1 1726 166 166 LYS HB2 H 1.360 0.020 2 1727 166 166 LYS HB3 H 1.944 0.020 2 1728 166 166 LYS HG2 H 0.840 0.020 2 1729 166 166 LYS HG3 H 0.840 0.020 2 1730 166 166 LYS HD2 H 1.281 0.020 2 1731 166 166 LYS HD3 H 1.281 0.020 2 1732 166 166 LYS HE2 H 2.822 0.020 2 1733 166 166 LYS HE3 H 2.822 0.020 2 1734 166 166 LYS C C 170.066 0.300 1 1735 166 166 LYS CA C 52.194 0.300 1 1736 166 166 LYS CB C 34.833 0.300 1 1737 166 166 LYS CG C 20.601 0.300 1 1738 166 166 LYS CD C 27.363 0.300 1 1739 166 166 LYS CE C 39.236 0.300 1 1740 166 166 LYS N N 127.554 0.300 1 1741 167 167 LEU H H 8.376 0.020 1 1742 167 167 LEU HA H 4.620 0.020 1 1743 167 167 LEU HB2 H 0.362 0.020 2 1744 167 167 LEU HB3 H 0.193 0.020 2 1745 167 167 LEU HG H 0.672 0.020 1 1746 167 167 LEU HD1 H -0.707 0.020 . 1747 167 167 LEU HD2 H -0.356 0.020 . 1748 167 167 LEU C C 173.552 0.300 1 1749 167 167 LEU CA C 50.392 0.300 1 1750 167 167 LEU CB C 40.368 0.300 1 1751 167 167 LEU CG C 22.646 0.300 1 1752 167 167 LEU CD1 C 20.410 0.300 2 1753 167 167 LEU CD2 C 19.152 0.300 2 1754 167 167 LEU N N 120.406 0.300 1 1755 168 168 ILE H H 8.332 0.020 1 1756 168 168 ILE HA H 4.806 0.020 1 1757 168 168 ILE HB H 1.627 0.020 1 1758 168 168 ILE HG12 H 0.841 0.020 . 1759 168 168 ILE HG13 H 0.841 0.020 . 1760 168 168 ILE HG2 H 0.897 0.020 . 1761 168 168 ILE HD1 H 0.662 0.020 . 1762 168 168 ILE C C 173.581 0.300 1 1763 168 168 ILE CA C 57.129 0.300 1 1764 168 168 ILE CB C 38.594 0.300 1 1765 168 168 ILE CG1 C 24.147 0.300 1 1766 168 168 ILE CG2 C 15.308 0.300 1 1767 168 168 ILE CD1 C 10.340 0.300 1 1768 168 168 ILE N N 116.200 0.300 1 1769 169 169 GLY H H 8.731 0.020 1 1770 169 169 GLY HA2 H 3.929 0.020 2 1771 169 169 GLY HA3 H 4.131 0.020 2 1772 169 169 GLY C C 169.165 0.300 1 1773 169 169 GLY CA C 42.752 0.300 1 1774 169 169 GLY N N 113.856 0.300 1 1775 170 170 ALA H H 8.240 0.020 1 1776 170 170 ALA HA H 4.104 0.020 1 1777 170 170 ALA HB H 1.079 0.020 . 1778 170 170 ALA C C 175.017 0.300 1 1779 170 170 ALA CA C 49.114 0.300 1 1780 170 170 ALA CB C 16.804 0.300 1 1781 170 170 ALA N N 123.523 0.300 1 1782 171 171 LEU H H 8.044 0.020 1 1783 171 171 LEU HA H 4.182 0.020 1 1784 171 171 LEU HB2 H 1.403 0.020 2 1785 171 171 LEU HB3 H 1.403 0.020 2 1786 171 171 LEU HG H 1.451 0.020 1 1787 171 171 LEU HD1 H 0.830 0.020 . 1788 171 171 LEU HD2 H 0.785 0.020 . 1789 171 171 LEU C C 174.354 0.300 1 1790 171 171 LEU CA C 52.417 0.300 1 1791 171 171 LEU CB C 39.826 0.300 1 1792 171 171 LEU CG C 24.157 0.300 1 1793 171 171 LEU CD1 C 21.797 0.300 2 1794 171 171 LEU CD2 C 21.193 0.300 2 1795 171 171 LEU N N 122.226 0.300 1 1796 172 172 GLU H H 8.246 0.020 1 1797 172 172 GLU HA H 4.166 0.020 1 1798 172 172 GLU HB2 H 1.773 0.020 2 1799 172 172 GLU HB3 H 1.828 0.020 2 1800 172 172 GLU HG2 H 2.039 0.020 2 1801 172 172 GLU HG3 H 2.118 0.020 2 1802 172 172 GLU C C 172.975 0.300 1 1803 172 172 GLU CA C 53.463 0.300 1 1804 172 172 GLU CB C 27.888 0.300 1 1805 172 172 GLU CG C 33.339 0.300 1 1806 172 172 GLU N N 121.958 0.300 1 stop_ save_ save_heteronuclear_T1_list_1 _Saveframe_category T1_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T1_coherence_type Iz _T1_value_units s _Mol_system_component_name CtCBM11 _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 5 VAL N 1.199 0.022 2 6 GLY N 0.723 0.003 3 7 GLU N 0.754 0.003 4 8 LYS N 0.670 0.004 5 9 MET N 0.738 0.004 6 10 LEU N 0.785 0.005 7 11 ASP N 0.760 0.003 8 12 ASP N 0.732 0.003 9 13 PHE N 0.761 0.003 10 14 GLU N 0.776 0.003 11 15 GLY N 0.788 0.002 12 16 VAL N 0.826 0.002 13 17 LEU N 0.754 0.002 14 18 ASN N 0.743 0.003 15 19 TRP N 0.817 0.004 16 20 GLY N 0.788 0.004 17 21 SER N 0.764 0.002 18 22 TYR N 0.704 0.003 19 23 SER N 0.769 0.003 20 24 GLY N 0.788 0.003 21 25 GLU N 0.693 0.004 22 26 GLY N 0.684 0.003 23 27 ALA N 0.744 0.003 24 28 LYS N 0.724 0.003 25 29 VAL N 0.746 0.002 26 30 SER N 0.779 0.003 27 31 THR N 0.781 0.001 28 32 LYS N 0.752 0.002 29 33 ILE N 0.790 0.003 30 34 VAL N 0.776 0.002 31 35 SER N 0.798 0.002 32 36 GLY N 0.755 0.003 33 37 LYS N 0.752 0.006 34 38 THR N 0.778 0.004 35 40 ASN N 0.828 0.005 36 41 GLY N 0.784 0.003 37 42 MET N 0.723 0.003 38 43 GLU N 0.708 0.003 39 44 VAL N 0.751 0.003 40 45 SER N 0.733 0.003 41 46 TYR N 0.718 0.003 42 47 THR N 0.790 0.003 43 48 GLY N 0.754 0.004 44 49 THR N 0.783 0.003 45 50 THR N 0.837 0.005 46 51 ASP N 0.728 0.002 47 52 GLY N 0.782 0.003 48 53 TYR N 0.739 0.003 49 54 TRP N 0.719 0.004 50 55 GLY N 0.734 0.004 51 56 THR N 0.732 0.004 52 57 VAL N 0.731 0.004 53 58 TYR N 0.738 0.005 54 59 SER N 0.757 0.004 55 60 LEU N 0.762 0.005 56 62 ASP N 0.778 0.003 57 63 GLY N 0.898 0.002 58 64 ASP N 0.697 0.002 59 65 TRP N 0.825 0.006 60 66 SER N 0.665 0.006 61 70 LYS N 0.847 0.012 62 71 ILE N 0.688 0.004 63 72 SER N 0.712 0.003 64 73 PHE N 0.687 0.002 65 74 ASP N 0.743 0.003 66 75 ILE N 0.736 0.003 67 76 LYS N 0.692 0.002 68 77 SER N 0.798 0.002 69 78 VAL N 0.707 0.005 70 79 ASP N 0.601 0.002 71 80 GLY N 0.678 0.003 72 81 SER N 0.598 0.002 73 82 ALA N 0.730 0.003 74 83 ASN N 0.706 0.002 75 84 GLU N 0.801 0.005 76 85 ILE N 0.775 0.003 77 86 ARG N 0.783 0.004 78 87 PHE N 0.819 0.004 79 88 MET N 0.719 0.004 80 89 ILE N 0.762 0.005 81 90 ALA N 0.726 0.004 82 91 GLU N 0.739 0.006 83 92 LYS N 0.702 0.005 84 93 SER N 0.761 0.003 85 94 ILE N 0.863 0.009 86 95 ASN N 0.763 0.003 87 96 GLY N 0.698 0.003 88 97 VAL N 0.757 0.002 89 98 GLY N 0.670 0.003 90 99 ASP N 0.820 0.003 91 100 GLY N 0.785 0.005 92 103 TRP N 0.753 0.004 93 104 VAL N 0.738 0.006 94 105 TYR N 0.730 0.004 95 106 SER N 0.716 0.004 96 107 ILE N 0.732 0.003 97 108 THR N 0.781 0.003 98 110 ASP N 0.725 0.003 99 111 SER N 0.682 0.003 100 112 SER N 0.750 0.002 101 113 TRP N 0.765 0.003 102 114 LYS N 0.743 0.003 103 115 THR N 0.788 0.003 104 116 ILE N 0.741 0.003 105 117 GLU N 0.741 0.003 106 118 ILE N 0.783 0.003 107 120 PHE N 0.791 0.008 108 121 SER N 0.727 0.003 109 122 SER N 0.765 0.004 110 123 PHE N 0.683 0.003 111 124 ARG N 0.817 0.004 112 125 ARG N 0.803 0.004 113 126 ARG N 0.784 0.006 114 127 LEU N 0.739 0.005 115 128 ASP N 0.718 0.003 116 129 TYR N 0.734 0.003 117 130 GLN N 0.818 0.007 118 133 GLY N 0.752 0.005 119 134 GLN N 0.773 0.006 120 135 ASP N 0.780 0.007 121 136 MET N 0.729 0.008 122 137 SER N 0.740 0.003 123 138 GLY N 0.733 0.005 124 140 LEU N 0.728 0.005 125 141 ASP N 0.871 0.007 126 142 LEU N 0.791 0.007 127 143 ASP N 0.691 0.002 128 144 ASN N 0.703 0.003 129 145 ILE N 0.795 0.007 130 146 ASP N 0.765 0.004 131 147 SER N 0.729 0.003 132 148 ILE N 0.719 0.004 133 149 HIS N 0.755 0.004 134 150 PHE N 0.783 0.004 135 151 MET N 0.781 0.004 136 152 TYR N 0.679 0.007 137 153 ALA N 0.794 0.006 138 154 ASN N 0.874 0.003 139 155 ASN N 0.787 0.004 140 156 LYS N 0.781 0.002 141 157 SER N 0.773 0.004 142 158 GLY N 0.730 0.003 143 159 LYS N 0.714 0.003 144 160 PHE N 0.734 0.002 145 161 VAL N 0.781 0.003 146 162 VAL N 0.626 0.003 147 163 ASP N 0.718 0.003 148 164 ASN N 0.770 0.003 149 165 ILE N 0.713 0.003 150 166 LYS N 0.753 0.003 151 167 LEU N 0.773 0.003 152 168 ILE N 0.770 0.007 153 169 GLY N 0.712 0.011 154 170 ALA N 0.745 0.003 155 171 LEU N 0.610 0.002 156 172 GLU N 0.654 0.002 stop_ save_ save_heteronuclear_T2_list_1 _Saveframe_category T2_relaxation _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _T2_coherence_type I(+,-) _T2_value_units s _Mol_system_component_name CtCBM11 _Text_data_format . _Text_data . loop_ _T2_ID _Residue_seq_code _Residue_label _Atom_name _T2_value _T2_value_error _Rex_value _Rex_error 1 5 VAL N 0.109 0.005 . . 2 6 GLY N 0.120 0.002 . . 3 7 GLU N 0.066 0.001 . . 4 8 LYS N 0.156 0.002 . . 5 9 MET N 0.083 0.001 . . 6 10 LEU N 0.079 0.001 . . 7 11 ASP N 0.095 0.001 . . 8 12 ASP N 0.082 0.001 . . 9 13 PHE N 0.079 0.001 . . 10 14 GLU N 0.074 0.001 . . 11 15 GLY N 0.093 0.001 . . 12 16 VAL N 0.092 0.001 . . 13 17 LEU N 0.108 0.001 . . 14 18 ASN N 0.083 0.001 . . 15 19 TRP N 0.094 0.001 . . 16 20 GLY N 0.084 0.001 . . 17 21 SER N 0.112 0.001 . . 18 22 TYR N 0.079 0.001 . . 19 23 SER N 0.098 0.001 . . 20 24 GLY N 0.083 0.001 . . 21 25 GLU N 0.093 0.001 . . 22 26 GLY N 0.084 0.001 . . 23 27 ALA N 0.080 0.001 . . 24 28 LYS N 0.088 0.001 . . 25 29 VAL N 0.076 0.001 . . 26 30 SER N 0.084 0.000 . . 27 31 THR N 0.098 0.001 . . 28 32 LYS N 0.088 0.001 . . 29 33 ILE N 0.082 0.000 . . 30 34 VAL N 0.085 0.001 . . 31 35 SER N 0.082 0.001 . . 32 36 GLY N 0.076 0.001 . . 33 37 LYS N 0.071 0.001 . . 34 38 THR N 0.090 0.001 . . 35 40 ASN N 0.079 0.001 . . 36 41 GLY N 0.080 0.001 . . 37 42 MET N 0.079 0.001 . . 38 43 GLU N 0.083 0.001 . . 39 44 VAL N 0.081 0.001 . . 40 45 SER N 0.086 0.001 . . 41 46 TYR N 0.087 0.001 . . 42 47 THR N 0.084 0.001 . . 43 48 GLY N 0.091 0.001 . . 44 49 THR N 0.078 0.001 . . 45 50 THR N 0.074 0.001 . . 46 51 ASP N 0.075 0.001 . . 47 52 GLY N 0.088 0.001 . . 48 53 TYR N 0.087 0.001 . . 49 54 TRP N 0.070 0.001 . . 50 55 GLY N 0.076 0.001 . . 51 56 THR N 0.075 0.001 . . 52 57 VAL N 0.086 0.001 . . 53 58 TYR N 0.076 0.001 . . 54 59 SER N 0.102 0.001 . . 55 60 LEU N 0.084 0.001 . . 56 62 ASP N 0.094 0.001 . . 57 63 GLY N 0.082 0.000 . . 58 64 ASP N 0.084 0.001 . . 59 65 TRP N 0.070 0.001 . . 60 66 SER N 0.084 0.002 . . 61 70 LYS N 0.082 0.002 . . 62 71 ILE N 0.074 0.001 . . 63 72 SER N 0.079 0.001 . . 64 73 PHE N 0.089 0.001 . . 65 74 ASP N 0.085 0.001 . . 66 75 ILE N 0.083 0.001 . . 67 76 LYS N 0.077 0.001 . . 68 77 SER N 0.087 0.001 . . 69 78 VAL N 0.068 0.001 . . 70 79 ASP N 0.096 0.001 . . 71 80 GLY N 0.101 0.001 . . 72 81 SER N 0.086 0.001 . . 73 82 ALA N 0.092 0.001 . . 74 83 ASN N 0.103 0.001 . . 75 84 GLU N 0.080 0.001 . . 76 85 ILE N 0.081 0.001 . . 77 86 ARG N 0.091 0.001 . . 78 87 PHE N 0.088 0.001 . . 79 88 MET N 0.072 0.001 . . 80 89 ILE N 0.082 0.001 . . 81 90 ALA N 0.092 0.001 . . 82 91 GLU N 0.091 0.001 . . 83 92 LYS N 0.072 0.001 . . 84 93 SER N 0.089 0.001 . . 85 94 ILE N 0.093 0.002 . . 86 95 ASN N 0.094 0.001 . . 87 96 GLY N 0.098 0.001 . . 88 97 VAL N 0.109 0.001 . . 89 98 GLY N 0.097 0.001 . . 90 99 ASP N 0.093 0.001 . . 91 100 GLY N 0.080 0.001 . . 92 103 TRP N 0.077 0.001 . . 93 104 VAL N 0.076 0.001 . . 94 105 TYR N 0.095 0.001 . . 95 106 SER N 0.100 0.001 . . 96 107 ILE N 0.076 0.001 . . 97 108 THR N 0.078 0.001 . . 98 110 ASP N 0.083 0.001 . . 99 111 SER N 0.101 0.001 . . 100 112 SER N 0.088 0.000 . . 101 113 TRP N 0.079 0.001 . . 102 114 LYS N 0.083 0.001 . . 103 115 THR N 0.078 0.001 . . 104 116 ILE N 0.080 0.001 . . 105 117 GLU N 0.082 0.001 . . 106 118 ILE N 0.094 0.001 . . 107 120 PHE N 0.092 0.002 . . 108 121 SER N 0.074 0.001 . . 109 122 SER N 0.085 0.001 . . 110 123 PHE N 0.071 0.001 . . 111 124 ARG N 0.081 0.001 . . 112 125 ARG N 0.088 0.001 . . 113 126 ARG N 0.088 0.002 . . 114 127 LEU N 0.092 0.001 . . 115 128 ASP N 0.080 0.001 . . 116 129 TYR N 0.079 0.001 . . 117 130 GLN N 0.081 0.001 . . 118 133 GLY N 0.065 0.001 . . 119 134 GLN N 0.085 0.002 . . 120 135 ASP N 0.121 0.005 . . 121 136 MET N 0.039 0.001 . . 122 137 SER N 0.085 0.001 . . 123 138 GLY N 0.071 0.001 . . 124 140 LEU N 0.081 0.001 . . 125 141 ASP N 0.083 0.002 . . 126 142 LEU N 0.081 0.001 . . 127 143 ASP N 0.070 0.001 . . 128 144 ASN N 0.082 0.001 . . 129 145 ILE N 0.084 0.001 . . 130 146 ASP N 0.094 0.001 . . 131 147 SER N 0.091 0.001 . . 132 148 ILE N 0.082 0.001 . . 133 149 HIS N 0.076 0.001 . . 134 150 PHE N 0.086 0.001 . . 135 151 MET N 0.083 0.001 . . 136 152 TYR N 0.078 0.001 . . 137 153 ALA N 0.110 0.003 . . 138 154 ASN N 0.108 0.001 . . 139 155 ASN N 0.095 0.002 . . 140 156 LYS N 0.087 0.001 . . 141 157 SER N 0.104 0.002 . . 142 158 GLY N 0.084 0.001 . . 143 159 LYS N 0.084 0.001 . . 144 160 PHE N 0.089 0.000 . . 145 161 VAL N 0.083 0.001 . . 146 162 VAL N 0.146 0.002 . . 147 163 ASP N 0.078 0.001 . . 148 164 ASN N 0.091 0.001 . . 149 165 ILE N 0.079 0.000 . . 150 166 LYS N 0.093 0.001 . . 151 167 LEU N 0.086 0.001 . . 152 168 ILE N 0.065 0.001 . . 153 169 GLY N 0.057 0.002 . . 154 170 ALA N 0.074 0.001 . . 155 171 LEU N 0.125 0.001 . . 156 172 GLU N 0.148 0.001 . . stop_ save_ save_heteronuclear_noe_list_1 _Saveframe_category heteronuclear_NOE _Details . loop_ _Experiment_label '2D 1H-15N HSQC' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 600 _Mol_system_component_name CtCBM11 _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'relative intensities' _NOE_reference_value 1 _NOE_reference_description . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 5 VAL 0.705 0.053 6 GLY 0.383 0.010 7 GLU 0.713 0.010 8 LYS 0.674 0.029 9 MET 0.801 0.012 10 LEU 0.838 0.019 11 ASP 0.858 0.013 12 ASP 0.806 0.011 13 PHE 0.883 0.012 14 GLU 0.854 0.010 15 GLY 0.784 0.008 16 VAL 0.674 0.007 17 LEU 0.605 0.007 18 ASN 0.653 0.011 19 TRP 0.717 0.012 20 GLY 0.834 0.012 21 SER 0.758 0.009 22 TYR 0.841 0.011 23 SER 0.865 0.009 24 GLY 0.883 0.012 25 GLU 0.868 0.013 26 GLY 0.866 0.010 27 ALA 0.830 0.008 28 LYS 0.807 0.012 29 VAL 0.811 0.011 30 SER 0.809 0.010 31 THR 0.820 0.007 32 LYS 0.762 0.009 33 ILE 0.805 0.010 34 VAL 0.798 0.008 35 SER 0.882 0.009 36 GLY 0.845 0.012 37 LYS 0.811 0.017 38 THR 0.804 0.012 40 ASN 0.837 0.012 41 GLY 0.852 0.010 42 MET 0.867 0.012 43 GLU 0.805 0.009 44 VAL 0.837 0.013 45 SER 0.844 0.008 46 TYR 0.826 0.010 47 THR 0.795 0.015 48 GLY 0.777 0.013 49 THR 0.833 0.011 50 THR 0.825 0.017 51 ASP 0.788 0.010 52 GLY 0.813 0.010 53 TYR 0.853 0.011 54 TRP 0.825 0.011 55 GLY 0.829 0.012 56 THR 0.885 0.013 57 VAL 0.832 0.014 58 TYR 0.883 0.020 59 SER 0.834 0.014 60 LEU 0.777 0.014 62 ASP 0.754 0.009 63 GLY 0.760 0.007 64 ASP 0.812 0.008 65 TRP 0.816 0.022 66 SER 0.881 0.017 70 LYS 0.841 0.030 71 ILE 0.843 0.015 72 SER 0.867 0.010 73 PHE 0.872 0.008 74 ASP 0.816 0.009 75 ILE 0.861 0.010 76 LYS 0.817 0.009 77 SER 0.806 0.010 78 VAL 0.847 0.018 79 ASP 0.715 0.009 80 GLY 0.700 0.011 81 SER 0.771 0.009 82 ALA 0.673 0.012 83 ASN 0.537 0.011 84 GLU 0.853 0.014 85 ILE 0.889 0.017 86 ARG 0.807 0.013 87 PHE 0.804 0.012 88 MET 0.885 0.015 89 ILE 0.869 0.018 90 ALA 0.804 0.014 91 GLU 0.834 0.018 92 LYS 0.849 0.016 93 SER 0.822 0.016 94 ILE 0.851 0.018 95 ASN 0.736 0.009 96 GLY 0.590 0.009 97 VAL 0.570 0.008 98 GLY 0.584 0.010 99 ASP 0.634 0.010 100 GLY 0.815 0.017 103 TRP 0.798 0.016 104 VAL 0.890 0.021 105 TYR 0.864 0.011 106 SER 0.767 0.013 107 ILE 0.841 0.015 108 THR 0.831 0.013 110 ASP 0.827 0.011 111 SER 0.782 0.011 112 SER 0.765 0.006 113 TRP 0.856 0.009 114 LYS 0.775 0.014 115 THR 0.809 0.010 116 ILE 0.839 0.010 117 GLU 0.784 0.011 118 ILE 0.793 0.011 120 PHE 0.833 0.026 121 SER 0.856 0.010 122 SER 0.879 0.013 123 PHE 0.839 0.016 124 ARG 0.850 0.017 125 ARG 0.808 0.014 126 ARG 0.845 0.025 127 LEU 0.837 0.023 128 ASP 0.836 0.013 129 TYR 0.857 0.014 130 GLN 0.890 0.017 133 GLY 0.877 0.017 134 GLN 0.908 0.018 135 ASP 0.903 0.024 136 MET 0.810 0.030 137 SER 0.873 0.014 138 GLY 0.888 0.018 140 LEU 0.824 0.017 141 ASP 0.833 0.020 142 LEU 0.793 0.017 143 ASP 0.804 0.008 144 ASN 0.746 0.013 145 ILE 0.849 0.021 146 ASP 0.841 0.015 147 SER 0.865 0.011 148 ILE 0.825 0.013 149 HIS 0.882 0.016 150 PHE 0.880 0.014 151 MET 0.821 0.012 152 TYR 0.868 0.017 153 ALA 0.810 0.026 154 ASN 0.817 0.013 155 ASN 0.898 0.030 156 LYS 0.848 0.012 157 SER 0.797 0.013 158 GLY 0.834 0.010 159 LYS 0.808 0.010 160 PHE 0.845 0.009 161 VAL 0.850 0.008 162 VAL 0.917 0.017 163 ASP 0.861 0.011 164 ASN 0.847 0.012 165 ILE 0.850 0.010 166 LYS 0.859 0.011 167 LEU 0.734 0.013 168 ILE 0.807 0.027 169 GLY 0.789 0.036 170 ALA 0.602 0.010 171 LEU 0.476 0.008 172 GLU 0.190 0.004 stop_ save_ save_order_parameter_list_1 _Saveframe_category S2_parameters _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name CtCBM11 _Tau_e_value_units . _Tau_s_value_units . _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Atom_name _Model_fit _S2_value _S2_value_fit_error _Tau_e_value _Tau_e_value_fit_error _S2f_value _S2f_value_fit_error _S2s_value _S2s_value_fit_error _Tau_s_value _Tau_s_value_fit_error _S2H_value _S2H_value_fit_error _S2N_value _S2N_value_fit_error 5 VAL N 4 0.53 1.20E-02 . 3.88E-12 . . . . 1.38E-11 . . . . . 6 GLY N 5 0.61 8.30E-03 . 1.59E-11 . . . . 6.07E-10 . . . . . 7 GLU N 4 0.78 3.50E-03 . 2.57E-12 . . . . 4.68E-11 . . . . . 8 LYS N 5 0.57 1.27E-02 . 1.19E-10 . . . . 1.26E-09 . . . . . 9 MET N 4 0.84 4.30E-03 . 4.32E-12 . . . . 3.29E-11 . . . . . 10 LEU N 4 0.83 6.70E-03 . 5.28E-12 . . . . 1.84E-11 . . . . . 11 ASP N 4 0.81 4.40E-03 . 3.35E-12 . . . . 1.07E-11 . . . . . 12 ASP N 4 0.83 3.50E-03 . 3.41E-12 . . . . 3.01E-11 . . . . . 13 PHE N 3 0.91 3.40E-03 . 0.00E+00 . . . . 0.00E+00 . . . . . 14 GLU N 4 0.86 3.20E-03 . 3.52E-12 . . . . 1.66E-11 . . . . . 15 GLY N 4 0.79 2.70E-03 . 2.01E-12 . . . . 2.82E-11 . . . . . 16 VAL N 4 0.78 2.30E-03 . 1.61E-12 . . . . 5.18E-11 . . . . . 17 LEU N 5 0.76 5.80E-03 . 1.90E-11 . . . . 6.31E-10 . . . . . 18 ASN N 4 0.85 4.20E-03 . 6.91E-12 . . . . 1.12E-10 . . . . . 19 TRP N 4 0.78 3.80E-03 . 2.60E-12 . . . . 4.19E-11 . . . . . 20 GLY N 4 0.84 4.50E-03 . 3.95E-12 . . . . 2.11E-11 . . . . . 21 SER N 5 0.87 9.30E-03 . 5.26E-11 . . . . 7.25E-10 . . . . . 22 TYR N 4 0.94 4.30E-03 . 1.24E-11 . . . . 5.34E-11 . . . . . 23 SER N 5 0.94 6.60E-03 . 3.21E-10 . . . . 1.44E-09 . . . . . 24 GLY N 3 0.88 3.30E-03 . 0.00E+00 . . . . 0.00E+00 . . . . . 25 GLU N 5 0.89 1.11E-02 . 1.47E-09 . . . . 2.39E-09 . . . . . 26 GLY N 4 0.91 4.20E-03 . 6.35E-12 . . . . 1.94E-11 . . . . . 27 ALA N 2 0.92 3.20E-03 . 6.27E-12 . . . . 4.53E-11 . . . . . 28 LYS N 5 0.94 1.21E-02 . 1.19E-10 . . . . 4.20E-10 . . . . . 29 VAL N 4 0.89 4.00E-03 . 5.03E-12 . . . . 4.36E-11 . . . . . 30 SER N 4 0.85 4.10E-03 . 3.26E-12 . . . . 3.07E-11 . . . . . 31 THR N 5 0.88 5.40E-03 . 7.94E-11 . . . . 1.23E-09 . . . . . 32 LYS N 4 0.84 3.40E-03 . 2.86E-12 . . . . 4.81E-11 . . . . . 33 ILE N 4 0.82 2.90E-03 . 2.43E-12 . . . . 2.64E-11 . . . . . 34 VAL N 4 0.85 2.70E-03 . 2.70E-12 . . . . 3.64E-11 . . . . . 35 SER N 3 0.83 2.70E-03 . 0.00E+00 . . . . 0.00E+00 . . . . . 36 GLY N 4 0.81 3.50E-03 . 2.66E-12 . . . . 1.42E-11 . . . . . 37 LYS N 4 0.83 7.60E-03 . 4.69E-12 . . . . 2.70E-11 . . . . . 38 THR N 2 0.85 4.80E-03 . 3.84E-12 . . . . 3.15E-11 . . . . . 40 ASN N 4 0.79 4.90E-03 . 2.54E-12 . . . . 1.44E-11 . . . . . 41 GLY N 4 0.86 3.30E-03 . 3.25E-12 . . . . 1.69E-11 . . . . . 42 MET N 4 0.91 4.70E-03 . 6.60E-12 . . . . 1.81E-11 . . . . . 43 GLU N 4 0.89 4.70E-03 . 4.68E-12 . . . . 4.79E-11 . . . . . 44 VAL N 4 0.87 5.00E-03 . 4.88E-12 . . . . 2.47E-11 . . . . . 45 SER N 4 0.87 4.00E-03 . 3.50E-12 . . . . 2.24E-11 . . . . . 46 TYR N 5 0.92 5.90E-03 . 1.12E-10 . . . . 9.34E-10 . . . . . 47 THR N 4 0.82 4.00E-03 . 3.38E-12 . . . . 2.95E-11 . . . . . 48 GLY N 5 0.88 7.20E-03 . 7.76E-11 . . . . 8.37E-10 . . . . . 49 THR N 4 0.85 4.20E-03 . 3.65E-12 . . . . 2.33E-11 . . . . . 50 THR N 4 0.80 5.10E-03 . 3.92E-12 . . . . 1.75E-11 . . . . . 51 ASP N 4 0.90 3.30E-03 . 6.66E-12 . . . . 6.89E-11 . . . . . 52 GLY N 4 0.84 3.60E-03 . 3.23E-12 . . . . 2.82E-11 . . . . . 53 TYR N 4 0.86 4.00E-03 . 4.31E-12 . . . . 1.80E-11 . . . . . 54 TRP N 4 0.90 6.60E-03 . 7.23E-12 . . . . 4.17E-11 . . . . . 55 GLY N 4 0.88 5.30E-03 . 5.48E-12 . . . . 3.15E-11 . . . . . 56 THR N 3 0.90 4.70E-03 . 0.00E+00 . . . . 0.00E+00 . . . . . 57 VAL N 4 0.88 5.40E-03 . 5.54E-12 . . . . 2.96E-11 . . . . . 58 TYR N 3 0.88 6.50E-03 . 0.00E+00 . . . . 0.00E+00 . . . . . 59 SER N 5 0.89 8.60E-03 . 3.10E-10 . . . . 1.26E-09 . . . . . 60 LEU N 4 0.84 5.20E-03 . 4.63E-12 . . . . 4.07E-11 . . . . . 62 ASP N 5 0.90 7.60E-03 . 6.21E-11 . . . . 5.00E-10 . . . . . 63 GLY N 4 0.74 1.70E-03 . 1.05E-12 . . . . 2.39E-11 . . . . . 64 ASP N 4 0.91 3.40E-03 . 5.41E-12 . . . . 5.99E-11 . . . . . 65 TRP N 4 0.76 7.60E-03 . 4.32E-12 . . . . 1.65E-11 . . . . . 66 SER N 5 0.91 1.94E-02 . 2.74E-09 . . . . 2.92E-09 . . . . . 70 LYS N 3 0.78 1.10E-02 . 0.00E+00 . . . . 0.00E+00 . . . . . 71 ILE N 4 0.89 6.00E-03 . 6.82E-12 . . . . 2.95E-11 . . . . . 72 SER N 4 0.89 4.50E-03 . 5.50E-12 . . . . 1.47E-11 . . . . . 73 PHE N 4 0.89 3.20E-03 . 4.12E-12 . . . . 1.37E-11 . . . . . 74 ASP N 4 0.83 3.60E-03 . 2.69E-12 . . . . 2.56E-11 . . . . . 75 ILE N 4 0.89 3.50E-03 . 4.63E-12 . . . . 1.86E-11 . . . . . 76 LYS N 4 0.96 3.90E-03 . 3.35E-11 . . . . 1.57E-10 . . . . . 77 SER N 4 0.83 3.10E-03 . 2.32E-12 . . . . 2.85E-11 . . . . . 78 VAL N 4 0.97 8.80E-03 . 1.27E-10 . . . . 1.36E-10 . . . . . 79 ASP N 4 0.70 1.04E-02 . 2.57E-11 . . . . 1.20E-09 . . . . . 80 GLY N 5 0.83 8.80E-03 . 4.54E-11 . . . . 6.50E-10 . . . . . 81 SER N 4 0.81 1.04E-02 . 3.09E-11 . . . . 1.09E-09 . . . . . 82 ALA N 4 0.83 4.80E-03 . 4.96E-12 . . . . 8.22E-11 . . . . . 83 ASN N 5 0.79 5.80E-03 . 2.12E-11 . . . . 3.75E-10 . . . . . 84 GLU N 4 0.77 5.20E-03 . 3.53E-12 . . . . 9.70E-12 . . . . . 85 ILE N 3 0.89 3.10E-03 . 0.00E+00 . . . . 0.00E+00 . . . . . 86 ARG N 2 0.84 5.10E-03 . 3.96E-12 . . . . 2.81E-11 . . . . . 87 PHE N 4 0.81 3.90E-03 . 2.66E-12 . . . . 2.43E-11 . . . . . 88 MET N 3 0.88 5.10E-03 . 0.00E+00 . . . . 0.00E+00 . . . . . 89 ILE N 3 0.81 5.50E-03 . 0.00E+00 . . . . 0.00E+00 . . . . . 90 ALA N 4 0.84 4.40E-03 . 4.78E-12 . . . . 3.36E-11 . . . . . 91 GLU N 4 0.83 8.40E-03 . 5.60E-12 . . . . 1.99E-11 . . . . . 92 LYS N 4 0.97 7.20E-03 . 7.82E-11 . . . . 9.99E-11 . . . . . 93 SER N 4 0.84 4.50E-03 . 4.98E-12 . . . . 2.45E-11 . . . . . 94 ILE N 4 0.72 8.10E-03 . 2.70E-12 . . . . 7.47E-12 . . . . . 95 ASN N 2 0.83 2.80E-03 . 2.68E-12 . . . . 5.37E-11 . . . . . 96 GLY N 5 0.78 7.20E-03 . 2.72E-11 . . . . 5.50E-10 . . . . . 97 VAL N 5 0.78 6.80E-03 . 2.26E-11 . . . . 4.98E-10 . . . . . 98 GLY N 2 0.79 7.30E-03 . 2.16E-11 . . . . 4.88E-10 . . . . . 99 ASP N 4 0.72 2.90E-03 . 1.73E-12 . . . . 4.70E-11 . . . . . 100 GLY N 4 0.81 6.00E-03 . 3.78E-12 . . . . 2.23E-11 . . . . . 103 TRP N 4 0.81 6.00E-03 . 4.14E-12 . . . . 2.78E-11 . . . . . 104 VAL N 3 0.87 6.50E-03 . 0.00E+00 . . . . 0.00E+00 . . . . . 105 TYR N 5 0.96 1.01E-02 . 7.74E-10 . . . . 9.80E-10 . . . . . 106 SER N 5 0.87 9.40E-03 . 7.31E-11 . . . . 7.89E-10 . . . . . 107 ILE N 4 0.92 4.80E-03 . 7.62E-12 . . . . 4.14E-11 . . . . . 108 THR N 4 0.86 4.00E-03 . 4.54E-12 . . . . 2.55E-11 . . . . . 110 ASP N 4 0.85 3.90E-03 . 3.87E-12 . . . . 2.55E-11 . . . . . 111 SER N 5 0.89 1.07E-02 . 8.55E-11 . . . . 6.91E-10 . . . . . 112 SER N 4 0.86 2.90E-03 . 2.74E-12 . . . . 5.46E-11 . . . . . 113 TRP N 4 0.88 3.00E-03 . 3.90E-12 . . . . 1.82E-11 . . . . . 114 LYS N 2 0.90 4.20E-03 . 8.23E-12 . . . . 8.00E-11 . . . . . 115 THR N 4 0.86 4.10E-03 . 3.73E-12 . . . . 3.43E-11 . . . . . 116 ILE N 4 0.85 4.10E-03 . 3.72E-12 . . . . 2.09E-11 . . . . . 117 GLU N 4 0.86 3.70E-03 . 4.70E-12 . . . . 4.65E-11 . . . . . 118 ILE N 4 0.77 3.10E-03 . 2.34E-12 . . . . 2.32E-11 . . . . . 120 PHE N 5 0.94 1.88E-02 . 1.42E-09 . . . . 7.11E-10 . . . . . 121 SER N 4 0.92 4.10E-03 . 6.43E-12 . . . . 2.85E-11 . . . . . 122 SER N 3 0.82 5.00E-03 . 0.00E+00 . . . . 0.00E+00 . . . . . 123 PHE N 4 0.91 4.80E-03 . 1.11E-11 . . . . 4.12E-11 . . . . . 124 ARG N 4 0.81 5.40E-03 . 4.22E-12 . . . . 1.28E-11 . . . . . 125 ARG N 4 0.78 3.70E-03 . 3.32E-12 . . . . 2.07E-11 . . . . . 126 ARG N 4 0.83 8.10E-03 . 5.84E-12 . . . . 1.54E-11 . . . . . 127 LEU N 5 0.94 1.53E-02 . 8.41E-10 . . . . 8.49E-10 . . . . . 128 ASP N 4 0.88 4.10E-03 . 5.39E-12 . . . . 2.85E-11 . . . . . 129 TYR N 4 0.91 4.50E-03 . 7.30E-12 . . . . 2.58E-11 . . . . . 130 GLN N 3 0.84 7.50E-03 . 0.00E+00 . . . . 0.00E+00 . . . . . 133 GLY N 3 0.90 6.40E-03 . 0.00E+00 . . . . 0.00E+00 . . . . . 134 GLN N 3 0.83 7.10E-03 . 0.00E+00 . . . . 0.00E+00 . . . . . 135 ASP N 6 0.68 5.12E-02 . 2.46E-09 . . . . 8.71E-09 . . . . . 136 MET N 4 0.91 1.30E-02 . 2.08E-11 . . . . 5.75E-11 . . . . . 137 SER N 3 0.87 3.10E-03 . 0.00E+00 . . . . 0.00E+00 . . . . . 138 GLY N 3 0.93 6.70E-03 . 0.00E+00 . . . . 0.00E+00 . . . . . 140 LEU N 2 0.92 6.20E-03 . 1.11E-11 . . . . 5.32E-11 . . . . . 141 ASP N 4 0.78 5.90E-03 . 3.70E-12 . . . . 1.35E-11 . . . . . 142 LEU N 4 0.81 7.30E-03 . 4.24E-12 . . . . 2.84E-11 . . . . . 143 ASP N 4 0.89 3.90E-03 . 4.15E-12 . . . . 5.13E-11 . . . . . 144 ASN N 4 0.89 4.90E-03 . 9.48E-12 . . . . 9.26E-11 . . . . . 145 ILE N 3 0.80 7.10E-03 . 0.00E+00 . . . . 0.00E+00 . . . . . 146 ASP N 4 0.80 4.40E-03 . 3.21E-12 . . . . 1.44E-11 . . . . . 147 SER N 4 0.84 4.40E-03 . 3.83E-12 . . . . 1.14E-11 . . . . . 148 ILE N 4 0.89 5.50E-03 . 5.69E-12 . . . . 3.64E-11 . . . . . 149 HIS N 3 0.86 4.00E-03 . 0.00E+00 . . . . 0.00E+00 . . . . . 150 PHE N 3 0.86 4.30E-03 . 0.00E+00 . . . . 0.00E+00 . . . . . 151 MET N 4 0.87 5.00E-03 . 4.24E-12 . . . . 3.03E-11 . . . . . 152 TYR N 2 0.94 1.29E-02 . 3.82E-10 . . . . 1.32E-09 . . . . . 153 ALA N 5 0.83 2.23E-02 . 8.38E-10 . . . . 1.40E-09 . . . . . 154 ASN N 4 0.69 2.80E-03 . 1.96E-12 . . . . 1.18E-11 . . . . . 155 ASN N 3 0.79 4.00E-03 . 0.00E+00 . . . . 0.00E+00 . . . . . 156 LYS N 2 0.86 3.30E-03 . 4.16E-12 . . . . 1.69E-11 . . . . . 157 SER N 5 0.89 1.08E-02 . 1.27E-10 . . . . 8.34E-10 . . . . . 158 GLY N 4 0.89 4.10E-03 . 4.74E-12 . . . . 3.24E-11 . . . . . 159 LYS N 2 0.92 4.30E-03 . 8.83E-12 . . . . 6.37E-11 . . . . . 160 PHE N 5 0.94 5.10E-03 . 1.15E-10 . . . . 8.92E-10 . . . . . 161 VAL N 4 0.84 3.40E-03 . 2.33E-12 . . . . 1.54E-11 . . . . . 162 VAL N 6 0.35 7.70E-02 . 2.00E-09 . . . . 8.71E-09 . . . . . 163 ASP N 4 0.89 4.20E-03 . 5.79E-12 . . . . 1.90E-11 . . . . . 164 ASN N 4 0.82 3.60E-03 . 3.07E-12 . . . . 1.41E-11 . . . . . 165 ILE N 4 0.88 3.30E-03 . 4.22E-12 . . . . 2.21E-11 . . . . . 166 LYS N 4 0.82 3.90E-03 . 2.87E-12 . . . . 1.13E-11 . . . . . 167 LEU N 4 0.77 4.10E-03 . 2.83E-12 . . . . 3.71E-11 . . . . . 168 ILE N 4 0.81 7.50E-03 . 6.59E-12 . . . . 2.45E-11 . . . . . 169 GLY N 4 0.89 1.36E-02 . 1.90E-11 . . . . 5.84E-11 . . . . . 170 ALA N 4 0.83 3.70E-03 . 5.55E-12 . . . . 1.14E-10 . . . . . 171 LEU N 4 0.54 9.30E-03 . 1.02E-11 . . . . 7.93E-10 . . . . . 172 GLU N 4 0.41 7.10E-03 . 6.47E-12 . . . . 6.34E-10 . . . . . stop_ save_