data_15097 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Dynamics and Calcium-Dependent Actin Bundling by the two Carboxy Terminal Domains of Villin ; _BMRB_accession_number 15097 _BMRB_flat_file_name bmr15097.str _Entry_type original _Submission_date 2007-01-08 _Accession_date 2007-01-08 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details 'D6-HP is a C-terminal modular fragment of chicken villin containing the core domain 6 and headpiece.' loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Smirnov Serge L. . 2 Isern Nancy G. . 3 Hoyt David W. . 4 Jiang Zhenghi . . 5 McKnight 'C. James' . . 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" 761 "13C chemical shifts" 521 "15N chemical shifts" 176 "T1 relaxation values" 144 "T2 relaxation values" 144 "order parameters" 107 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2007-08-21 original author . stop_ _Original_release_date 2007-08-21 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; The Isolated Sixth Gelsolin Repeat and Headpiece Domain of Villin Bundle F-Actin in the Presence of Calcium and Are Linked by a 40-Residue Unstructured Sequence ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 17547371 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Smirnov Serge L. . 2 Isern Nancy G. . 3 Jiang Zhenghui G. . 4 Hoyt David W. . 5 McKnight 'C. James' . . stop_ _Journal_abbreviation Biochemistry _Journal_volume 46 _Journal_issue 25 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 7488 _Page_last 7496 _Year 2007 _Details . loop_ _Keyword 'F-actin bundling' headpiece NMR Villin stop_ save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name D6-HP _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label D6-HP $D6-HP stop_ _System_molecular_weight 23000 _System_physical_state native _System_oligomer_state ? _System_paramagnetic ? _System_thiol_state . _Database_query_date . _Details 'D6-HP polypeptide chain.' save_ ######################## # Monomeric polymers # ######################## save_D6-HP _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common D6-HP _Molecular_mass . _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 208 _Mol_residue_sequence ; PRLFECSNKTGRFLATEIVD FTQDDLDENDVYLLDTWDQI FFWIGKGANESEKEAAAETA QEYLRSHPGSRDLDTPIIVV KQGFEPPTFTGWFMAWDPLC WSDRKSYDELKAELGDNASI GQLVSGLTSKNEVFTATTTL VPTKLETFPLDVLVNTAAED LPRGVDPSRKENHLSDEDFK AVFGMTRSAFANLPLWKQQN LKKEKGLF ; loop_ _Residue_seq_code _Residue_label 1 PRO 2 ARG 3 LEU 4 PHE 5 GLU 6 CYS 7 SER 8 ASN 9 LYS 10 THR 11 GLY 12 ARG 13 PHE 14 LEU 15 ALA 16 THR 17 GLU 18 ILE 19 VAL 20 ASP 21 PHE 22 THR 23 GLN 24 ASP 25 ASP 26 LEU 27 ASP 28 GLU 29 ASN 30 ASP 31 VAL 32 TYR 33 LEU 34 LEU 35 ASP 36 THR 37 TRP 38 ASP 39 GLN 40 ILE 41 PHE 42 PHE 43 TRP 44 ILE 45 GLY 46 LYS 47 GLY 48 ALA 49 ASN 50 GLU 51 SER 52 GLU 53 LYS 54 GLU 55 ALA 56 ALA 57 ALA 58 GLU 59 THR 60 ALA 61 GLN 62 GLU 63 TYR 64 LEU 65 ARG 66 SER 67 HIS 68 PRO 69 GLY 70 SER 71 ARG 72 ASP 73 LEU 74 ASP 75 THR 76 PRO 77 ILE 78 ILE 79 VAL 80 VAL 81 LYS 82 GLN 83 GLY 84 PHE 85 GLU 86 PRO 87 PRO 88 THR 89 PHE 90 THR 91 GLY 92 TRP 93 PHE 94 MET 95 ALA 96 TRP 97 ASP 98 PRO 99 LEU 100 CYS 101 TRP 102 SER 103 ASP 104 ARG 105 LYS 106 SER 107 TYR 108 ASP 109 GLU 110 LEU 111 LYS 112 ALA 113 GLU 114 LEU 115 GLY 116 ASP 117 ASN 118 ALA 119 SER 120 ILE 121 GLY 122 GLN 123 LEU 124 VAL 125 SER 126 GLY 127 LEU 128 THR 129 SER 130 LYS 131 ASN 132 GLU 133 VAL 134 PHE 135 THR 136 ALA 137 THR 138 THR 139 THR 140 LEU 141 VAL 142 PRO 143 THR 144 LYS 145 LEU 146 GLU 147 THR 148 PHE 149 PRO 150 LEU 151 ASP 152 VAL 153 LEU 154 VAL 155 ASN 156 THR 157 ALA 158 ALA 159 GLU 160 ASP 161 LEU 162 PRO 163 ARG 164 GLY 165 VAL 166 ASP 167 PRO 168 SER 169 ARG 170 LYS 171 GLU 172 ASN 173 HIS 174 LEU 175 SER 176 ASP 177 GLU 178 ASP 179 PHE 180 LYS 181 ALA 182 VAL 183 PHE 184 GLY 185 MET 186 THR 187 ARG 188 SER 189 ALA 190 PHE 191 ALA 192 ASN 193 LEU 194 PRO 195 LEU 196 TRP 197 LYS 198 GLN 199 GLN 200 ASN 201 LEU 202 LYS 203 LYS 204 GLU 205 LYS 206 GLY 207 LEU 208 PHE stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2014-04-24 loop_ _Database_name _Database_accession_code _Database_entry_mol_name _Sequence_query_to_submitted_percentage _Sequence_subject_length _Sequence_identity _Sequence_positive _Sequence_homology_expectation_value BMRB 18046 D6 51.44 107 100.00 100.00 7.02e-73 BMRB 19497 Villin_domain_6 51.44 107 100.00 100.00 7.02e-73 PDB 2LLF "Sixth Gelsolin-like Domain Of Villin In 5 Mm Cacl2" 50.96 107 100.00 100.00 8.30e-72 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $D6-HP chicken 9031 Eukaryota Metazoa Gallus gallus stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $D6-HP 'recombinant technology' . Escherichia coli BL21(DE3) pD6-HP ; The construct was cloned from full-length chicken villin cDNA (a gift of Dr. Paul Matsudaira, Whitehead Institute/M.I.T.) into the pET-24a vector (Novagen) using standard protocols. ; 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 $D6-HP 1.1 mM '[U-98% 13C; U-98% 15N]' DTT 10 mM [U-2H] TSP 1 mM 'natural abundance' PIPES 20 mM [U-2H] Ca2+ 5 mM 'natural abundance' NaN3 0.01 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_fastModelFree _Saveframe_category software _Name fastModelFree _Version . loop_ _Vendor _Address _Electronic_address 'J. Patrick Loria' . ; http://xbeams.chem.yale.edu/~loria/ patrick.loria@yale.edu ; stop_ loop_ _Task 'model-free analysis' stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version . loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . . stop_ loop_ _Task 'peak picking' stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details Cryoprobe save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 750 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Varian _Model INOVA _Field_strength 600 _Details Cryoprobe 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_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $sample_1 save_ save_3D_HN(CO)CA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HNCACB_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_HCCH-COSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-COSY' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNHA_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHA' _Sample_label $sample_1 save_ save_3D_HNHB_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNHB' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_3D_H(CCO)NH_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_15N_T1_14 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T1' _Sample_label $sample_1 save_ save_15N_T2_15 _Saveframe_category NMR_applied_experiment _Experiment_name '15N T2' _Sample_label $sample_1 save_ save_1H,15N_NOE_16 _Saveframe_category NMR_applied_experiment _Experiment_name '1H,15N NOE' _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' 0.01 . M pH 7 . pH pressure 1 . atm temperature 298 . K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Saveframe_category chemical_shift_reference _Details . loop_ _Mol_common_name _Atom_type _Atom_isotope_number _Atom_group _Chem_shift_units _Chem_shift_value _Reference_method _Reference_type _External_reference_sample_geometry _External_reference_location _External_reference_axis _Indirect_shift_ratio _Indirect_shift_ratio_citation_label _Correction_value_citation_label TSP C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 $entry_citation $entry_citation TSP H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 $entry_citation $entry_citation TSP N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 $entry_citation $entry_citation 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' '3D HNCA' '3D HN(CO)CA' '3D HNCO' '3D HNCACB' '3D CBCA(CO)NH' '3D HNHA' '3D HNHB' '3D HBHA(CO)NH' '3D C(CO)NH' '3D H(CCO)NH' '3D HN(CA)CO' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name D6-HP _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 5 5 GLU CA C 55.98000 0.1 1 2 6 6 CYS H H 8.92879 0.01 1 3 6 6 CYS HA H 5.01000 0.01 1 4 6 6 CYS HB2 H 2.68000 0.01 2 5 6 6 CYS HB3 H 3.05000 0.01 2 6 6 6 CYS CA C 57.78000 0.1 1 7 6 6 CYS CB C 29.19000 0.1 1 8 6 6 CYS N N 127.86001 0.1 1 9 7 7 SER H H 7.87387 0.01 1 10 7 7 SER HA H 5.45000 0.01 1 11 7 7 SER HB2 H 3.46000 0.01 2 12 7 7 SER CA C 55.40000 0.1 1 13 7 7 SER CB C 65.92000 0.1 1 14 7 7 SER N N 113.60337 0.1 1 15 8 8 ASN H H 10.29988 0.01 1 16 8 8 ASN HA H 5.64000 0.01 1 17 8 8 ASN HB2 H 3.30000 0.01 2 18 8 8 ASN CA C 51.35000 0.1 1 19 8 8 ASN CB C 38.00000 0.1 1 20 8 8 ASN N N 126.24207 0.1 1 21 9 9 LYS H H 9.04044 0.01 1 22 9 9 LYS HA H 4.26000 0.01 1 23 9 9 LYS HB2 H 2.13000 0.01 2 24 9 9 LYS HE2 H 3.10000 0.01 2 25 9 9 LYS CA C 59.82000 0.1 1 26 9 9 LYS CB C 31.93000 0.1 1 27 9 9 LYS CG C 23.43000 0.1 1 28 9 9 LYS CD C 29.88000 0.1 1 29 9 9 LYS N N 123.44323 0.1 1 30 10 10 THR H H 8.50522 0.01 1 31 10 10 THR HA H 4.48000 0.01 1 32 10 10 THR HG2 H 1.32000 0.01 1 33 10 10 THR CA C 63.07000 0.1 1 34 10 10 THR CB C 70.31000 0.1 1 35 10 10 THR CG2 C 21.54000 0.1 1 36 10 10 THR N N 110.23826 0.1 1 37 11 11 GLY H H 8.26108 0.01 1 38 11 11 GLY HA2 H 4.65000 0.01 2 39 11 11 GLY HA3 H 3.66000 0.01 2 40 11 11 GLY CA C 44.63000 0.1 1 41 11 11 GLY N N 110.68662 0.1 1 42 12 12 ARG H H 7.52981 0.01 1 43 12 12 ARG HA H 4.67000 0.01 1 44 12 12 ARG HB2 H 1.84000 0.01 2 45 12 12 ARG HB3 H 1.72000 0.01 2 46 12 12 ARG HG2 H 1.62000 0.01 2 47 12 12 ARG HG3 H 1.47000 0.01 2 48 12 12 ARG HD2 H 3.22000 0.01 2 49 12 12 ARG CA C 53.79000 0.1 1 50 12 12 ARG CB C 32.72000 0.1 1 51 12 12 ARG CG C 26.07000 0.1 1 52 12 12 ARG CD C 43.64000 0.1 1 53 12 12 ARG N N 118.19500 0.1 1 54 13 13 PHE H H 8.93380 0.01 1 55 13 13 PHE HA H 4.55000 0.01 1 56 13 13 PHE HB2 H 3.17000 0.01 2 57 13 13 PHE HB3 H 2.97000 0.01 2 58 13 13 PHE HD1 H 7.30000 0.01 3 59 13 13 PHE HD2 H 7.40000 0.01 3 60 13 13 PHE CA C 59.54000 0.1 1 61 13 13 PHE CB C 38.88000 0.1 1 62 13 13 PHE N N 121.99939 0.1 1 63 14 14 LEU H H 8.11249 0.01 1 64 14 14 LEU HA H 4.33000 0.01 1 65 14 14 LEU HB2 H 1.62000 0.01 2 66 14 14 LEU HB3 H 1.30000 0.01 2 67 14 14 LEU HD1 H 0.89000 0.01 2 68 14 14 LEU CA C 54.02000 0.1 1 69 14 14 LEU CB C 46.50000 0.1 1 70 14 14 LEU CG C 25.49000 0.1 1 71 14 14 LEU CD1 C 23.72000 0.1 2 72 14 14 LEU N N 129.84447 0.1 1 73 15 15 ALA H H 8.21707 0.01 1 74 15 15 ALA HA H 5.55000 0.01 1 75 15 15 ALA HB H 1.26000 0.01 1 76 15 15 ALA CA C 49.79000 0.1 1 77 15 15 ALA CB C 20.69000 0.1 1 78 15 15 ALA N N 125.21831 0.1 1 79 16 16 THR H H 9.12546 0.01 1 80 16 16 THR HA H 4.67000 0.01 1 81 16 16 THR HB H 4.07000 0.01 1 82 16 16 THR HG2 H 1.30000 0.01 1 83 16 16 THR CA C 61.11000 0.1 1 84 16 16 THR CB C 71.42000 0.1 1 85 16 16 THR CG2 C 21.68000 0.1 1 86 16 16 THR N N 119.16637 0.1 1 87 17 17 GLU H H 9.27926 0.01 1 88 17 17 GLU HA H 4.41000 0.01 1 89 17 17 GLU CA C 56.75000 0.1 1 90 17 17 GLU CB C 29.19000 0.1 1 91 17 17 GLU CG C 36.04000 0.1 1 92 17 17 GLU N N 128.80432 0.1 1 93 18 18 ILE H H 8.81650 0.01 1 94 18 18 ILE HA H 4.41000 0.01 1 95 18 18 ILE HB H 1.92000 0.01 1 96 18 18 ILE CA C 59.65000 0.1 1 97 18 18 ILE CB C 37.99000 0.1 1 98 18 18 ILE CG1 C 26.65000 0.1 1 99 18 18 ILE CG2 C 17.87000 0.1 1 100 18 18 ILE CD1 C 12.30000 0.1 1 101 18 18 ILE N N 129.20383 0.1 1 102 19 19 VAL H H 8.60839 0.01 1 103 19 19 VAL HA H 4.29000 0.01 1 104 19 19 VAL HB H 2.09000 0.01 1 105 19 19 VAL HG1 H 1.00000 0.01 2 106 19 19 VAL CA C 62.54000 0.1 1 107 19 19 VAL CB C 32.43000 0.1 1 108 19 19 VAL CG1 C 21.09000 0.1 2 109 19 19 VAL N N 127.12095 0.1 1 110 20 20 ASP H H 9.04955 0.01 1 111 20 20 ASP HA H 4.31000 0.01 1 112 20 20 ASP HB2 H 2.80000 0.01 2 113 20 20 ASP HB3 H 2.72000 0.01 2 114 20 20 ASP CA C 54.98000 0.1 1 115 20 20 ASP CB C 38.88000 0.1 1 116 20 20 ASP N N 122.87419 0.1 1 117 21 21 PHE H H 6.53168 0.01 1 118 21 21 PHE HA H 4.84000 0.01 1 119 21 21 PHE HB2 H 3.08000 0.01 2 120 21 21 PHE HB3 H 2.83000 0.01 2 121 21 21 PHE HD1 H 6.89000 0.01 3 122 21 21 PHE HE1 H 6.44000 0.01 3 123 21 21 PHE CA C 56.10000 0.1 1 124 21 21 PHE CB C 41.81000 0.1 1 125 21 21 PHE N N 113.48737 0.1 1 126 22 22 THR H H 9.63693 0.01 1 127 22 22 THR HA H 4.92000 0.01 1 128 22 22 THR HB H 4.70000 0.01 1 129 22 22 THR HG2 H 1.33000 0.01 1 130 22 22 THR CA C 60.35000 0.1 1 131 22 22 THR CB C 73.19000 0.1 1 132 22 22 THR CG2 C 21.98000 0.1 1 133 22 22 THR N N 112.24654 0.1 1 134 23 23 GLN H H 9.77312 0.01 1 135 23 23 GLN HA H 3.68000 0.01 1 136 23 23 GLN CA C 58.94000 0.1 1 137 23 23 GLN CB C 26.88000 0.1 1 138 23 23 GLN CG C 32.23000 0.1 1 139 23 23 GLN N N 122.47170 0.1 1 140 24 24 ASP H H 7.75209 0.01 1 141 24 24 ASP HA H 4.12000 0.01 1 142 24 24 ASP HB2 H 2.55000 0.01 2 143 24 24 ASP HB3 H 2.38000 0.01 2 144 24 24 ASP CA C 55.84000 0.1 1 145 24 24 ASP CB C 40.64000 0.1 1 146 24 24 ASP N N 114.14209 0.1 1 147 25 25 ASP H H 7.65289 0.01 1 148 25 25 ASP HA H 4.55000 0.01 1 149 25 25 ASP HB2 H 2.89000 0.01 2 150 25 25 ASP CA C 56.26000 0.1 1 151 25 25 ASP CB C 42.40000 0.1 1 152 25 25 ASP N N 116.42530 0.1 1 153 26 26 LEU H H 7.30633 0.01 1 154 26 26 LEU HA H 3.29000 0.01 1 155 26 26 LEU HB2 H 1.84000 0.01 2 156 26 26 LEU HB3 H 0.13000 0.01 2 157 26 26 LEU HG H 0.36000 0.01 2 158 26 26 LEU HD1 H -0.35000 0.01 2 159 26 26 LEU CA C 53.90000 0.1 1 160 26 26 LEU CB C 39.25000 0.1 1 161 26 26 LEU N N 118.13875 0.1 1 162 27 27 ASP H H 8.60611 0.01 1 163 27 27 ASP HA H 4.82000 0.01 1 164 27 27 ASP HB2 H 3.58000 0.01 2 165 27 27 ASP HB3 H 2.76000 0.01 2 166 27 27 ASP CA C 54.32000 0.1 1 167 27 27 ASP CB C 43.57000 0.1 1 168 27 27 ASP N N 127.86001 0.1 1 169 28 28 GLU H H 8.64400 0.01 1 170 28 28 GLU HA H 4.43000 0.01 1 171 28 28 GLU HB2 H 2.72000 0.01 2 172 28 28 GLU HG2 H 2.35000 0.01 2 173 28 28 GLU HG3 H 2.23000 0.01 2 174 28 28 GLU CA C 57.76000 0.1 1 175 28 28 GLU CB C 29.20000 0.1 1 176 28 28 GLU CG C 34.57000 0.1 1 177 28 28 GLU N N 124.78426 0.1 1 178 29 29 ASN H H 9.34262 0.01 1 179 29 29 ASN HA H 4.65000 0.01 1 180 29 29 ASN HB2 H 3.09000 0.01 2 181 29 29 ASN HB3 H 2.80000 0.01 2 182 29 29 ASN CA C 52.75000 0.1 1 183 29 29 ASN CB C 40.06000 0.1 1 184 29 29 ASN N N 115.89082 0.1 1 185 30 30 ASP H H 8.70645 0.01 1 186 30 30 ASP HA H 5.56000 0.01 1 187 30 30 ASP HB2 H 2.92000 0.01 2 188 30 30 ASP HB3 H 3.00000 0.01 2 189 30 30 ASP CA C 54.17000 0.1 1 190 30 30 ASP CB C 44.74000 0.1 1 191 30 30 ASP N N 127.06197 0.1 1 192 31 31 VAL H H 7.35493 0.01 1 193 31 31 VAL HA H 5.40000 0.01 1 194 31 31 VAL HB H 2.13000 0.01 1 195 31 31 VAL HG1 H 0.99000 0.01 2 196 31 31 VAL HG2 H 0.77000 0.01 2 197 31 31 VAL CA C 59.89000 0.1 1 198 31 31 VAL CB C 34.80000 0.1 1 199 31 31 VAL CG1 C 22.85000 0.1 2 200 31 31 VAL N N 112.81750 0.1 1 201 32 32 TYR H H 9.68786 0.01 1 202 32 32 TYR HA H 5.69000 0.01 1 203 32 32 TYR HB2 H 2.97000 0.01 2 204 32 32 TYR CA C 56.62000 0.1 1 205 32 32 TYR CB C 43.07000 0.1 1 206 32 32 TYR N N 120.93966 0.1 1 207 33 33 LEU H H 9.09566 0.01 1 208 33 33 LEU HA H 5.74000 0.01 1 209 33 33 LEU HB2 H 1.94000 0.01 2 210 33 33 LEU HB3 H 1.20000 0.01 2 211 33 33 LEU HD1 H 0.70000 0.01 2 212 33 33 LEU HD2 H 0.56000 0.01 2 213 33 33 LEU CA C 52.37000 0.1 1 214 33 33 LEU CB C 44.44000 0.1 1 215 33 33 LEU CG C 25.12000 0.1 1 216 33 33 LEU CD1 C 23.73000 0.1 2 217 33 33 LEU CD2 C 23.44000 0.1 2 218 33 33 LEU N N 119.74071 0.1 1 219 34 34 LEU H H 9.84026 0.01 1 220 34 34 LEU HA H 5.43000 0.01 1 221 34 34 LEU HD1 H 0.47000 0.01 2 222 34 34 LEU HD2 H 0.33000 0.01 2 223 34 34 LEU CA C 53.27000 0.1 1 224 34 34 LEU CB C 44.53000 0.1 1 225 34 34 LEU CG C 26.95000 0.1 1 226 34 34 LEU CD1 C 24.31000 0.1 2 227 34 34 LEU CD2 C 24.02000 0.1 2 228 34 34 LEU N N 125.79243 0.1 1 229 35 35 ASP H H 9.74487 0.01 1 230 35 35 ASP HA H 5.15000 0.01 1 231 35 35 ASP HB2 H 3.22000 0.01 2 232 35 35 ASP HB3 H 2.56000 0.01 2 233 35 35 ASP CA C 53.40000 0.1 1 234 35 35 ASP CB C 42.10000 0.1 1 235 35 35 ASP N N 126.71076 0.1 1 236 36 36 THR H H 8.58216 0.01 1 237 36 36 THR HA H 4.31000 0.01 1 238 36 36 THR HB H 4.21000 0.01 1 239 36 36 THR HG2 H 0.50000 0.01 1 240 36 36 THR CA C 60.74000 0.1 1 241 36 36 THR CB C 68.49000 0.1 1 242 36 36 THR CG2 C 21.09000 0.1 1 243 36 36 THR N N 118.60638 0.1 1 244 37 37 TRP H H 9.08259 0.01 1 245 37 37 TRP HA H 4.07000 0.01 1 246 37 37 TRP HB2 H 3.39000 0.01 2 247 37 37 TRP HD1 H 7.23000 0.01 1 248 37 37 TRP CA C 61.86000 0.1 1 249 37 37 TRP CB C 28.80000 0.1 1 250 37 37 TRP N N 122.07034 0.1 1 251 38 38 ASP H H 8.67003 0.01 1 252 38 38 ASP HA H 4.41000 0.01 1 253 38 38 ASP HB2 H 2.84000 0.01 2 254 38 38 ASP HB3 H 2.72000 0.01 2 255 38 38 ASP CA C 55.96000 0.1 1 256 38 38 ASP CB C 41.23000 0.1 1 257 38 38 ASP N N 117.88393 0.1 1 258 39 39 GLN H H 7.30280 0.01 1 259 39 39 GLN HA H 4.51000 0.01 1 260 39 39 GLN HB2 H 1.76000 0.01 2 261 39 39 GLN HB3 H 1.63000 0.01 2 262 39 39 GLN HG2 H 1.90000 0.01 1 263 39 39 GLN HG3 H 1.74000 0.01 1 264 39 39 GLN CA C 54.66000 0.1 1 265 39 39 GLN CB C 31.94000 0.1 1 266 39 39 GLN CG C 32.81000 0.1 1 267 39 39 GLN N N 110.64918 0.1 1 268 40 40 ILE H H 8.66245 0.01 1 269 40 40 ILE HA H 5.00000 0.01 1 270 40 40 ILE HB H 1.89000 0.01 1 271 40 40 ILE HG12 H 1.48000 0.01 2 272 40 40 ILE HG13 H 1.12000 0.01 2 273 40 40 ILE HG2 H 0.82000 0.01 1 274 40 40 ILE CA C 60.06000 0.1 1 275 40 40 ILE CB C 39.74000 0.1 1 276 40 40 ILE CG1 C 27.83000 0.1 1 277 40 40 ILE CG2 C 17.57000 0.1 1 278 40 40 ILE CD1 C 12.88000 0.1 1 279 40 40 ILE N N 120.27892 0.1 1 280 41 41 PHE H H 9.54824 0.01 1 281 41 41 PHE HA H 5.50000 0.01 1 282 41 41 PHE HB2 H 3.56000 0.01 2 283 41 41 PHE HB3 H 3.32000 0.01 2 284 41 41 PHE HD1 H 7.18000 0.01 3 285 41 41 PHE HD2 H 7.11000 0.01 3 286 41 41 PHE CA C 57.52000 0.1 1 287 41 41 PHE CB C 42.40000 0.1 1 288 41 41 PHE N N 124.68075 0.1 1 289 42 42 PHE H H 9.65056 0.01 1 290 42 42 PHE HA H 5.60000 0.01 1 291 42 42 PHE HB2 H 3.41000 0.01 2 292 42 42 PHE HB3 H 2.56000 0.01 2 293 42 42 PHE HD1 H 6.79000 0.01 3 294 42 42 PHE CA C 54.62000 0.1 1 295 42 42 PHE CB C 41.19000 0.1 1 296 42 42 PHE N N 128.80183 0.1 1 297 43 43 TRP H H 9.98273 0.01 1 298 43 43 TRP HA H 5.30000 0.01 1 299 43 43 TRP HB2 H 3.70000 0.01 2 300 43 43 TRP HB3 H 2.80000 0.01 2 301 43 43 TRP HD1 H 6.04000 0.01 1 302 43 43 TRP CA C 58.02000 0.1 1 303 43 43 TRP CB C 32.13000 0.1 1 304 43 43 TRP N N 128.67622 0.1 1 305 44 44 ILE H H 8.35866 0.01 1 306 44 44 ILE HA H 4.16000 0.01 1 307 44 44 ILE HB H 1.61000 0.01 1 308 44 44 ILE HG2 H 0.77000 0.01 1 309 44 44 ILE HD1 H 0.60000 0.01 1 310 44 44 ILE CA C 60.36000 0.1 1 311 44 44 ILE CB C 39.25000 0.1 1 312 44 44 ILE CG2 C 18.20000 0.1 1 313 44 44 ILE CD1 C 13.34000 0.1 1 314 44 44 ILE N N 126.18141 0.1 1 315 45 45 GLY H H 7.60142 0.01 1 316 45 45 GLY HA2 H 3.97000 0.01 2 317 45 45 GLY HA3 H 3.55000 0.01 2 318 45 45 GLY CA C 46.44000 0.1 1 319 45 45 GLY N N 119.33819 0.1 1 320 46 46 LYS H H 9.10161 0.01 1 321 46 46 LYS HA H 4.07000 0.01 1 322 46 46 LYS HB2 H 1.72000 0.01 2 323 46 46 LYS HG2 H 1.23000 0.01 2 324 46 46 LYS HE2 H 2.93000 0.01 2 325 46 46 LYS CA C 59.06000 0.1 1 326 46 46 LYS CB C 32.40000 0.1 1 327 46 46 LYS CG C 24.60000 0.1 1 328 46 46 LYS CD C 29.59000 0.1 1 329 46 46 LYS CE C 41.89000 0.1 1 330 46 46 LYS N N 124.95714 0.1 1 331 47 47 GLY H H 8.95082 0.01 1 332 47 47 GLY HA2 H 4.50000 0.01 2 333 47 47 GLY HA3 H 4.22000 0.01 2 334 47 47 GLY CA C 44.12000 0.1 1 335 47 47 GLY N N 106.22130 0.1 1 336 48 48 ALA H H 7.47857 0.01 1 337 48 48 ALA HA H 4.63000 0.01 1 338 48 48 ALA HB H 1.34000 0.01 1 339 48 48 ALA CA C 52.49000 0.1 1 340 48 48 ALA CB C 19.51000 0.1 1 341 48 48 ALA N N 125.97493 0.1 1 342 49 49 ASN H H 8.91278 0.01 1 343 49 49 ASN HA H 5.13000 0.01 1 344 49 49 ASN HB2 H 3.30000 0.01 2 345 49 49 ASN HB3 H 2.83000 0.01 2 346 49 49 ASN CA C 51.47000 0.1 1 347 49 49 ASN CB C 40.93000 0.1 1 348 49 49 ASN N N 119.71590 0.1 1 349 50 50 GLU H H 8.83493 0.01 1 350 50 50 GLU HA H 4.04000 0.01 1 351 50 50 GLU HB2 H 2.18000 0.01 2 352 50 50 GLU HG2 H 2.49000 0.01 2 353 50 50 GLU CA C 59.55000 0.1 1 354 50 50 GLU CB C 29.32000 0.1 1 355 50 50 GLU CG C 36.03000 0.1 1 356 50 50 GLU N N 118.06451 0.1 1 357 51 51 SER H H 8.40722 0.01 1 358 51 51 SER HA H 4.36000 0.01 1 359 51 51 SER HB2 H 3.93000 0.01 2 360 51 51 SER CA C 61.89000 0.1 1 361 51 51 SER CB C 62.62000 0.1 1 362 51 51 SER N N 115.48050 0.1 1 363 52 52 GLU H H 8.57012 0.01 1 364 52 52 GLU HA H 4.12000 0.01 1 365 52 52 GLU HB2 H 2.05000 0.01 2 366 52 52 GLU HB3 H 2.47000 0.01 2 367 52 52 GLU HG2 H 2.73000 0.01 2 368 52 52 GLU HG3 H 2.47000 0.01 2 369 52 52 GLU CA C 59.21000 0.1 1 370 52 52 GLU CB C 28.34000 0.1 1 371 52 52 GLU CG C 36.33000 0.1 1 372 52 52 GLU N N 122.33179 0.1 1 373 53 53 LYS H H 7.69840 0.01 1 374 53 53 LYS HA H 4.06000 0.01 1 375 53 53 LYS HB2 H 1.72000 0.01 2 376 53 53 LYS CA C 60.90000 0.1 1 377 53 53 LYS CB C 32.52000 0.1 1 378 53 53 LYS CG C 26.07000 0.1 1 379 53 53 LYS CD C 29.59000 0.1 1 380 53 53 LYS CE C 45.41000 0.1 1 381 53 53 LYS N N 119.36357 0.1 1 382 54 54 GLU H H 8.16615 0.01 1 383 54 54 GLU HA H 4.09000 0.01 1 384 54 54 GLU HB2 H 2.09000 0.01 2 385 54 54 GLU HG2 H 2.47000 0.01 2 386 54 54 GLU HG3 H 2.27000 0.01 2 387 54 54 GLU CA C 59.33000 0.1 1 388 54 54 GLU CB C 29.67000 0.1 1 389 54 54 GLU CG C 36.32000 0.1 1 390 54 54 GLU N N 119.26310 0.1 1 391 55 55 ALA H H 7.95371 0.01 1 392 55 55 ALA HA H 3.97000 0.01 1 393 55 55 ALA HB H 0.30000 0.01 1 394 55 55 ALA CA C 54.30000 0.1 1 395 55 55 ALA CB C 15.72000 0.1 1 396 55 55 ALA N N 121.32973 0.1 1 397 56 56 ALA H H 8.40538 0.01 1 398 56 56 ALA HA H 4.04000 0.01 1 399 56 56 ALA HB H 1.51000 0.01 1 400 56 56 ALA CA C 55.36000 0.1 1 401 56 56 ALA CB C 19.52000 0.1 1 402 56 56 ALA N N 123.47163 0.1 1 403 57 57 ALA H H 7.69878 0.01 1 404 57 57 ALA HA H 3.92000 0.01 1 405 57 57 ALA HB H 1.55000 0.01 1 406 57 57 ALA CA C 55.59000 0.1 1 407 57 57 ALA CB C 17.49000 0.1 1 408 57 57 ALA N N 120.82037 0.1 1 409 58 58 GLU H H 7.41807 0.01 1 410 58 58 GLU HA H 4.12000 0.01 1 411 58 58 GLU HB2 H 2.09000 0.01 2 412 58 58 GLU HG2 H 2.40000 0.01 2 413 58 58 GLU HG3 H 2.27000 0.01 2 414 58 58 GLU CA C 59.13000 0.1 1 415 58 58 GLU CB C 29.20000 0.1 1 416 58 58 GLU CG C 36.03000 0.1 1 417 58 58 GLU N N 118.36642 0.1 1 418 59 59 THR H H 8.36702 0.01 1 419 59 59 THR CA C 67.32000 0.1 1 420 59 59 THR CB C 68.49000 0.1 1 421 59 59 THR HA H 3.87000 0.01 1 422 59 59 THR N N 118.76465 0.1 1 423 63 63 TYR CA C 59.98000 0.1 1 424 64 64 LEU H H 7.78000 0.01 1 425 64 64 LEU HA H 3.70000 0.01 1 426 64 64 LEU HB2 H 1.93000 0.01 2 427 64 64 LEU HB3 H 1.29000 0.01 2 428 64 64 LEU HD1 H 0.63000 0.01 2 429 64 64 LEU CA C 57.91000 0.1 1 430 64 64 LEU CB C 42.68000 0.1 1 431 64 64 LEU N N 119.16729 0.1 1 432 65 65 ARG H H 7.84548 0.01 1 433 65 65 ARG HA H 4.09000 0.01 1 434 65 65 ARG HB2 H 1.92000 0.01 2 435 65 65 ARG HG2 H 1.72000 0.01 2 436 65 65 ARG HD2 H 3.23000 0.01 2 437 65 65 ARG CA C 58.55000 0.1 1 438 65 65 ARG CB C 30.66000 0.1 1 439 65 65 ARG CG C 28.12000 0.1 1 440 65 65 ARG CD C 43.36000 0.1 1 441 65 65 ARG N N 116.94175 0.1 1 442 66 66 SER H H 7.91789 0.01 1 443 66 66 SER HA H 4.38000 0.01 1 444 66 66 SER HB2 H 3.97000 0.01 2 445 66 66 SER CA C 59.33000 0.1 1 446 66 66 SER CB C 64.09000 0.1 1 447 66 66 SER N N 112.50766 0.1 1 448 67 67 HIS H H 7.47627 0.01 1 449 67 67 HIS CA C 55.48000 0.1 1 450 67 67 HIS CB C 29.48000 0.1 1 451 67 67 HIS HA H 4.63000 0.01 1 452 67 67 HIS N N 123.43404 0.1 1 453 73 73 LEU CA C 56.88000 0.1 1 454 73 73 LEU CB C 40.99000 0.1 1 455 74 74 ASP H H 8.46954 0.01 1 456 74 74 ASP HA H 4.75000 0.01 1 457 74 74 ASP HB2 H 2.76000 0.01 2 458 74 74 ASP CA C 53.77000 0.1 1 459 74 74 ASP CB C 40.34000 0.1 1 460 74 74 ASP N N 117.74204 0.1 1 461 75 75 THR H H 7.28382 0.01 1 462 75 75 THR CA C 62.41000 0.1 1 463 75 75 THR CB C 70.84000 0.1 1 464 75 75 THR HA H 4.21000 0.01 1 465 75 75 THR N N 119.76073 0.1 1 466 77 77 ILE CA C 59.42000 0.1 1 467 77 77 ILE CB C 38.08000 0.1 1 468 77 77 ILE CG1 C 27.25000 0.1 1 469 77 77 ILE CG2 C 17.58000 0.1 1 470 77 77 ILE CD1 C 12.89000 0.1 1 471 78 78 ILE H H 8.97055 0.01 1 472 78 78 ILE HA H 4.33000 0.01 1 473 78 78 ILE HB H 1.74000 0.01 1 474 78 78 ILE HG12 H 1.22000 0.01 2 475 78 78 ILE HG13 H 1.04000 0.01 2 476 78 78 ILE HG2 H 1.04000 0.01 1 477 78 78 ILE HD1 H 0.65000 0.01 1 478 78 78 ILE CA C 59.65000 0.1 1 479 78 78 ILE CB C 39.16000 0.1 1 480 78 78 ILE CG1 C 26.80000 0.1 1 481 78 78 ILE CG2 C 16.98000 0.1 1 482 78 78 ILE CD1 C 12.30000 0.1 1 483 78 78 ILE N N 130.02823 0.1 1 484 79 79 VAL H H 8.88391 0.01 1 485 79 79 VAL HA H 4.71000 0.01 1 486 79 79 VAL HB H 1.99000 0.01 1 487 79 79 VAL HG1 H 0.96000 0.01 2 488 79 79 VAL HG2 H 0.87000 0.01 2 489 79 79 VAL CA C 63.91000 0.1 1 490 79 79 VAL CB C 31.53000 0.1 1 491 79 79 VAL CG1 C 21.67000 0.1 2 492 79 79 VAL CG2 C 21.97000 0.1 2 493 79 79 VAL N N 130.11803 0.1 1 494 80 80 VAL H H 9.59819 0.01 1 495 80 80 VAL HA H 4.43000 0.01 1 496 80 80 VAL HB H 1.84000 0.01 1 497 80 80 VAL HG1 H 0.99000 0.01 2 498 80 80 VAL HG2 H 0.82000 0.01 2 499 80 80 VAL CA C 59.95000 0.1 1 500 80 80 VAL CB C 35.35000 0.1 1 501 80 80 VAL CG1 C 24.32000 0.1 2 502 80 80 VAL CG2 C 21.39000 0.1 2 503 80 80 VAL N N 129.06139 0.1 1 504 81 81 LYS H H 8.44949 0.01 1 505 81 81 LYS HA H 4.19000 0.01 1 506 81 81 LYS HB2 H 1.97000 0.01 2 507 81 81 LYS HB3 H 1.93000 0.01 2 508 81 81 LYS HG2 H 1.52000 0.01 2 509 81 81 LYS HE2 H 2.82000 0.01 2 510 81 81 LYS CA C 54.88000 0.1 1 511 81 81 LYS CB C 33.89000 0.1 1 512 81 81 LYS CG C 25.04000 0.1 1 513 81 81 LYS CD C 28.71000 0.1 1 514 81 81 LYS CE C 41.88000 0.1 1 515 81 81 LYS N N 123.89822 0.1 1 516 82 82 GLN H H 6.47817 0.01 1 517 82 82 GLN HA H 3.97000 0.01 1 518 82 82 GLN CA C 56.49000 0.1 1 519 82 82 GLN N N 121.24901 0.1 1 520 83 83 GLY H H 10.06115 0.01 1 521 83 83 GLY HA2 H 4.19000 0.01 2 522 83 83 GLY HA3 H 4.02000 0.01 2 523 83 83 GLY CA C 45.40000 0.1 1 524 83 83 GLY N N 118.63988 0.1 1 525 84 84 PHE H H 7.80345 0.01 1 526 84 84 PHE CA C 56.63000 0.1 1 527 84 84 PHE CB C 43.27000 0.1 1 528 84 84 PHE HA H 4.26000 0.01 1 529 84 84 PHE N N 127.15242 0.1 1 530 87 87 PRO CA C 64.48000 0.1 1 531 87 87 PRO CB C 31.35000 0.1 1 532 87 87 PRO CG C 27.54000 0.1 1 533 87 87 PRO HA H 4.77000 0.01 1 534 88 88 THR H H 7.31099 0.01 1 535 88 88 THR HA H 4.59000 0.01 1 536 88 88 THR HB H 4.09000 0.01 1 537 88 88 THR HG2 H 1.52000 0.01 1 538 88 88 THR CA C 63.16000 0.1 1 539 88 88 THR CB C 68.26000 0.1 1 540 88 88 THR CG2 C 23.73000 0.1 1 541 88 88 THR N N 107.14224 0.1 1 542 89 89 PHE H H 7.43392 0.01 1 543 89 89 PHE HA H 3.95000 0.01 1 544 89 89 PHE HB2 H 3.02000 0.01 2 545 89 89 PHE HB3 H 2.20000 0.01 2 546 89 89 PHE HD1 H 7.05000 0.01 3 547 89 89 PHE CA C 60.03000 0.1 1 548 89 89 PHE CB C 41.01000 0.1 1 549 89 89 PHE N N 119.05288 0.1 1 550 90 90 THR H H 7.67525 0.01 1 551 90 90 THR HA H 3.22000 0.01 1 552 90 90 THR HB H 3.41000 0.01 1 553 90 90 THR HG2 H -0.30000 0.01 1 554 90 90 THR CA C 65.01000 0.1 1 555 90 90 THR CB C 68.20000 0.1 1 556 90 90 THR CG2 C 20.51000 0.1 1 557 90 90 THR N N 107.26758 0.1 1 558 91 91 GLY H H 7.86598 0.01 1 559 91 91 GLY HA2 H 3.96000 0.01 2 560 91 91 GLY HA3 H 3.65000 0.01 2 561 91 91 GLY CA C 46.19000 0.1 1 562 91 91 GLY N N 106.67547 0.1 1 563 92 92 TRP H H 7.01958 0.01 1 564 92 92 TRP HA H 4.50000 0.01 1 565 92 92 TRP HB2 H 2.72000 0.01 2 566 92 92 TRP HD1 H 7.42000 0.01 1 567 92 92 TRP CA C 57.39000 0.1 1 568 92 92 TRP CB C 29.21000 0.1 1 569 92 92 TRP N N 117.99802 0.1 1 570 93 93 PHE H H 7.96303 0.01 1 571 93 93 PHE HA H 4.63000 0.01 1 572 93 93 PHE HB2 H 3.51000 0.01 2 573 93 93 PHE HB3 H 3.33000 0.01 2 574 93 93 PHE CA C 56.75000 0.1 1 575 93 93 PHE CB C 40.69000 0.1 1 576 93 93 PHE N N 118.93798 0.1 1 577 94 94 MET H H 8.82409 0.01 1 578 94 94 MET HA H 4.19910 0.01 1 579 94 94 MET HB2 H 2.13000 0.01 2 580 94 94 MET HG2 H 2.66000 0.01 2 581 94 94 MET CA C 57.66000 0.1 1 582 94 94 MET CB C 32.26000 0.1 1 583 94 94 MET CG C 31.93000 0.1 1 584 94 94 MET N N 121.84624 0.1 1 585 95 95 ALA H H 8.04654 0.01 1 586 95 95 ALA HA H 4.46000 0.01 1 587 95 95 ALA HB H 1.38000 0.01 1 588 95 95 ALA CA C 51.60000 0.1 1 589 95 95 ALA CB C 20.49000 0.1 1 590 95 95 ALA N N 120.79502 0.1 1 591 96 96 TRP H H 8.48184 0.01 1 592 96 96 TRP HA H 4.21000 0.01 1 593 96 96 TRP HB2 H 3.07000 0.01 2 594 96 96 TRP HD1 H 6.90000 0.01 1 595 96 96 TRP CA C 57.78000 0.1 1 596 96 96 TRP CB C 30.40000 0.1 1 597 96 96 TRP N N 121.04919 0.1 1 598 97 97 ASP H H 8.84364 0.01 1 599 97 97 ASP CA C 49.40000 0.1 1 600 97 97 ASP CB C 42.40000 0.1 1 601 97 97 ASP HA H 5.11000 0.01 1 602 97 97 ASP N N 128.97592 0.1 1 603 98 98 PRO HA H 4.53000 0.01 1 604 98 98 PRO HB2 H 2.69000 0.01 2 605 98 98 PRO HG2 H 2.18000 0.01 2 606 98 98 PRO CA C 64.09000 0.1 1 607 98 98 PRO CB C 32.52000 0.1 1 608 98 98 PRO CG C 27.24000 0.1 1 609 98 98 PRO CD C 51.27000 0.1 1 610 99 99 LEU H H 8.36072 0.01 1 611 99 99 LEU HA H 4.53000 0.01 1 612 99 99 LEU HB2 H 1.84000 0.01 2 613 99 99 LEU HB3 H 1.67000 0.01 2 614 99 99 LEU HD1 H 0.96000 0.01 2 615 99 99 LEU HD2 H 0.89000 0.01 2 616 99 99 LEU CA C 54.43000 0.1 1 617 99 99 LEU CB C 40.65000 0.1 1 618 99 99 LEU CG C 25.19000 0.1 1 619 99 99 LEU CD1 C 22.55000 0.1 2 620 99 99 LEU N N 118.46198 0.1 1 621 100 100 CYS H H 7.05689 0.01 1 622 100 100 CYS HA H 3.63000 0.01 1 623 100 100 CYS HB2 H 2.27000 0.01 2 624 100 100 CYS HB3 H 1.23000 0.01 2 625 100 100 CYS CA C 61.38000 0.1 1 626 100 100 CYS CB C 27.22000 0.1 1 627 100 100 CYS N N 119.33707 0.1 1 628 101 101 TRP H H 7.61607 0.01 1 629 101 101 TRP HA H 4.77000 0.01 1 630 101 101 TRP HB2 H 3.56000 0.01 2 631 101 101 TRP HB3 H 3.19000 0.01 2 632 101 101 TRP HD1 H 7.43000 0.01 1 633 101 101 TRP CA C 58.94000 0.1 1 634 101 101 TRP CB C 28.12000 0.1 1 635 101 101 TRP N N 115.83070 0.1 1 636 102 102 SER H H 7.94511 0.01 1 637 102 102 SER HA H 4.53000 0.01 1 638 102 102 SER HB2 H 3.97000 0.01 2 639 102 102 SER CA C 59.19000 0.1 1 640 102 102 SER CB C 64.07000 0.1 1 641 102 102 SER N N 116.08491 0.1 1 642 103 103 ASP H H 8.47089 0.01 1 643 103 103 ASP N N 122.41245 0.1 1 644 104 104 ARG HA H 4.33000 0.01 1 645 104 104 ARG HB2 H 1.93000 0.01 2 646 104 104 ARG HB3 H 1.84000 0.01 2 647 104 104 ARG HD2 H 3.23000 0.01 2 648 104 104 ARG HG2 H 1.69000 0.01 2 649 104 104 ARG CA C 56.36000 0.1 1 650 104 104 ARG CB C 30.36000 0.1 1 651 104 104 ARG CG C 26.96000 0.1 1 652 104 104 ARG CD C 43.36000 0.1 1 653 105 105 LYS H H 8.29842 0.01 1 654 105 105 LYS HA H 4.36000 0.01 1 655 105 105 LYS HB2 H 1.80000 0.01 2 656 105 105 LYS HG2 H 1.47000 0.01 2 657 105 105 LYS HE2 H 3.03000 0.01 2 658 105 105 LYS CA C 56.62000 0.1 1 659 105 105 LYS CB C 33.00000 0.1 1 660 105 105 LYS CG C 24.61000 0.1 1 661 105 105 LYS CD C 29.00000 0.1 1 662 105 105 LYS CE C 42.19000 0.1 1 663 105 105 LYS N N 121.93793 0.1 1 664 106 106 SER H H 8.36639 0.01 1 665 106 106 SER HA H 4.48000 0.01 1 666 106 106 SER HB2 H 3.93000 0.01 2 667 106 106 SER CA C 58.42000 0.1 1 668 106 106 SER CB C 64.09000 0.1 1 669 106 106 SER N N 116.66460 0.1 1 670 107 107 TYR H H 8.34670 0.01 1 671 107 107 TYR HA H 4.53000 0.01 1 672 107 107 TYR HB2 H 3.09000 0.01 2 673 107 107 TYR HD1 H 6.80000 0.01 3 674 107 107 TYR HD2 H 7.11000 0.01 3 675 107 107 TYR CA C 59.20000 0.1 1 676 107 107 TYR CB C 38.58000 0.1 1 677 107 107 TYR N N 122.27536 0.1 1 678 108 108 ASP H H 8.32362 0.01 1 679 108 108 ASP HA H 4.55000 0.01 1 680 108 108 ASP HB2 H 2.71000 0.01 2 681 108 108 ASP CA C 55.33000 0.1 1 682 108 108 ASP CB C 41.04000 0.1 1 683 108 108 ASP N N 120.81402 0.1 1 684 109 109 GLU H H 8.25020 0.01 1 685 109 109 GLU HA H 4.22000 0.01 1 686 109 109 GLU HB2 H 2.09000 0.01 2 687 109 109 GLU HG2 H 2.35000 0.01 2 688 109 109 GLU CA C 57.65000 0.1 1 689 109 109 GLU CB C 30.07000 0.1 1 690 109 109 GLU CG C 36.60000 0.1 1 691 109 109 GLU N N 121.25182 0.1 1 692 110 110 LEU H H 8.18809 0.01 1 693 110 110 LEU HA H 4.31000 0.01 1 694 110 110 LEU HB2 H 2.25000 0.01 2 695 110 110 LEU HB3 H 1.76000 0.01 2 696 110 110 LEU HG H 1.64000 0.01 2 697 110 110 LEU HD1 H 0.94000 0.01 2 698 110 110 LEU CA C 56.02000 0.1 1 699 110 110 LEU CB C 42.04000 0.1 1 700 110 110 LEU CG C 26.95000 0.1 1 701 110 110 LEU CD1 C 24.90000 0.1 2 702 110 110 LEU CD2 C 23.43000 0.1 2 703 110 110 LEU N N 122.07935 0.1 1 704 111 111 LYS H H 8.14203 0.01 1 705 111 111 LYS HA H 4.22000 0.01 1 706 111 111 LYS HB2 H 1.80000 0.01 2 707 111 111 LYS HG2 H 1.45000 0.01 2 708 111 111 LYS HE2 H 3.03000 0.01 2 709 111 111 LYS CA C 56.95000 0.1 1 710 111 111 LYS CB C 32.67000 0.1 1 711 111 111 LYS CG C 24.60000 0.1 1 712 111 111 LYS CD C 29.00000 0.1 1 713 111 111 LYS CE C 42.08000 0.1 1 714 111 111 LYS N N 121.13472 0.1 1 715 112 112 ALA H H 8.10024 0.01 1 716 112 112 ALA HA H 4.31000 0.01 1 717 112 112 ALA HB H 1.47000 0.01 1 718 112 112 ALA CA C 53.09000 0.1 1 719 112 112 ALA CB C 18.93000 0.1 1 720 112 112 ALA N N 124.12854 0.1 1 721 113 113 GLU H H 8.28040 0.01 1 722 113 113 GLU HA H 4.33000 0.01 1 723 113 113 GLU HB2 H 2.13000 0.01 2 724 113 113 GLU HB3 H 2.05000 0.01 2 725 113 113 GLU HG2 H 2.35000 0.01 2 726 113 113 GLU CA C 56.78000 0.1 1 727 113 113 GLU CB C 30.09000 0.1 1 728 113 113 GLU CG C 36.27000 0.1 1 729 113 113 GLU N N 119.57629 0.1 1 730 114 114 LEU H H 8.24554 0.01 1 731 114 114 LEU HA H 4.40000 0.01 1 732 114 114 LEU HB2 H 1.76000 0.01 2 733 114 114 LEU HB3 H 1.64000 0.01 2 734 114 114 LEU HD1 H 0.96000 0.01 2 735 114 114 LEU CA C 55.47000 0.1 1 736 114 114 LEU CB C 42.66000 0.1 1 737 114 114 LEU CG C 26.94000 0.1 1 738 114 114 LEU CD1 C 24.91000 0.1 2 739 114 114 LEU CD2 C 23.15000 0.1 2 740 114 114 LEU N N 122.01215 0.1 1 741 115 115 GLY H H 8.29623 0.01 1 742 115 115 GLY CA C 45.40000 0.1 1 743 115 115 GLY HA2 H 4.03000 0.01 2 744 115 115 GLY N N 108.83816 0.1 1 745 116 116 ASP HA H 4.65000 0.01 1 746 116 116 ASP HB2 H 2.73000 0.01 2 747 116 116 ASP CA C 54.55000 0.1 1 748 116 116 ASP CB C 41.21000 0.1 1 749 117 117 ASN H H 8.47266 0.01 1 750 117 117 ASN HA H 4.75000 0.01 1 751 117 117 ASN HB2 H 2.88000 0.01 2 752 117 117 ASN HB3 H 2.84000 0.01 2 753 117 117 ASN CA C 53.65000 0.1 1 754 117 117 ASN CB C 38.86000 0.1 1 755 117 117 ASN N N 119.16284 0.1 1 756 118 118 ALA H H 8.26748 0.01 1 757 118 118 ALA HA H 4.34000 0.01 1 758 118 118 ALA HB H 1.47000 0.01 1 759 118 118 ALA CA C 53.14000 0.1 1 760 118 118 ALA CB C 19.22000 0.1 1 761 118 118 ALA N N 123.74269 0.1 1 762 119 119 SER H H 8.28750 0.01 1 763 119 119 SER HA H 4.53000 0.01 1 764 119 119 SER HB2 H 3.97000 0.01 2 765 119 119 SER CA C 58.62000 0.1 1 766 119 119 SER CB C 63.80000 0.1 1 767 119 119 SER N N 114.66481 0.1 1 768 120 120 ILE H H 8.06889 0.01 1 769 120 120 ILE HA H 4.24000 0.01 1 770 120 120 ILE HB H 1.97000 0.01 1 771 120 120 ILE HG12 H 1.55000 0.01 2 772 120 120 ILE HG13 H 1.28000 0.01 2 773 120 120 ILE HG2 H 0.97000 0.01 1 774 120 120 ILE CA C 61.90000 0.1 1 775 120 120 ILE CB C 38.58000 0.1 1 776 120 120 ILE N N 121.90434 0.1 1 777 121 121 GLY H H 8.46223 0.01 1 778 121 121 GLY HA2 H 3.99000 0.01 2 779 121 121 GLY CA C 45.53000 0.1 1 780 121 121 GLY N N 111.76736 0.1 1 781 122 122 GLN H H 8.16107 0.01 1 782 122 122 GLN HA H 4.38000 0.01 1 783 122 122 GLN HB2 H 2.17000 0.01 2 784 122 122 GLN HB3 H 2.05000 0.01 2 785 122 122 GLN HG2 H 2.39000 0.01 1 786 122 122 GLN CA C 56.04000 0.1 1 787 122 122 GLN CB C 29.48000 0.1 1 788 122 122 GLN CG C 33.98000 0.1 1 789 122 122 GLN N N 119.73140 0.1 1 790 123 123 LEU H H 8.31530 0.01 1 791 123 123 LEU HA H 4.43000 0.01 1 792 123 123 LEU HB2 H 1.72000 0.01 2 793 123 123 LEU HB3 H 1.63000 0.01 2 794 123 123 LEU HD1 H 0.94000 0.01 2 795 123 123 LEU CA C 55.56000 0.1 1 796 123 123 LEU CB C 42.39000 0.1 1 797 123 123 LEU CG C 26.95000 0.1 1 798 123 123 LEU CD1 C 24.90000 0.1 2 799 123 123 LEU CD2 C 23.44000 0.1 2 800 123 123 LEU N N 123.27166 0.1 1 801 124 124 VAL H H 8.20718 0.01 1 802 124 124 VAL HA H 4.18000 0.01 1 803 124 124 VAL HB H 2.17000 0.01 1 804 124 124 VAL HG1 H 0.99000 0.01 2 805 124 124 VAL CA C 62.55000 0.1 1 806 124 124 VAL CB C 32.71000 0.1 1 807 124 124 VAL CG1 C 21.10000 0.1 2 808 124 124 VAL N N 120.93143 0.1 1 809 125 125 SER H H 8.40736 0.01 1 810 125 125 SER HA H 4.50000 0.01 1 811 125 125 SER HB2 H 3.95000 0.01 2 812 125 125 SER CA C 58.68000 0.1 1 813 125 125 SER CB C 63.80000 0.1 1 814 125 125 SER N N 119.19645 0.1 1 815 126 126 GLY H H 8.44157 0.01 1 816 126 126 GLY HA2 H 4.07000 0.01 2 817 126 126 GLY CA C 45.41000 0.1 1 818 126 126 GLY N N 110.72439 0.1 1 819 127 127 LEU H H 8.14293 0.01 1 820 127 127 LEU HA H 4.48000 0.01 1 821 127 127 LEU HB2 H 1.68000 0.01 2 822 127 127 LEU HD1 H 0.94000 0.01 2 823 127 127 LEU CA C 55.45000 0.1 1 824 127 127 LEU CB C 42.55000 0.1 1 825 127 127 LEU N N 121.36138 0.1 1 826 128 128 THR H H 8.20775 0.01 1 827 128 128 THR HA H 4.46000 0.01 1 828 128 128 THR HB H 4.31000 0.01 1 829 128 128 THR HG2 H 1.28000 0.01 1 830 128 128 THR CA C 61.90000 0.1 1 831 128 128 THR CB C 69.97000 0.1 1 832 128 128 THR CG2 C 21.68000 0.1 1 833 128 128 THR N N 114.14745 0.1 1 834 129 129 SER H H 8.34658 0.01 1 835 129 129 SER HA H 4.53000 0.01 1 836 129 129 SER HB2 H 3.95000 0.01 2 837 129 129 SER CA C 58.42000 0.1 1 838 129 129 SER CB C 63.83000 0.1 1 839 129 129 SER N N 118.08166 0.1 1 840 130 130 LYS H H 8.42070 0.01 1 841 130 130 LYS HA H 4.39000 0.01 1 842 130 130 LYS HB2 H 1.92000 0.01 2 843 130 130 LYS HB3 H 1.80000 0.01 2 844 130 130 LYS HG2 H 1.47000 0.01 2 845 130 130 LYS HE2 H 3.05000 0.01 2 846 130 130 LYS CA C 56.49000 0.1 1 847 130 130 LYS CB C 33.00000 0.1 1 848 130 130 LYS CG C 24.61000 0.1 1 849 130 130 LYS CD C 29.00000 0.1 1 850 130 130 LYS CE C 41.60000 0.1 1 851 130 130 LYS N N 123.04503 0.1 1 852 131 131 ASN H H 8.45169 0.01 1 853 131 131 ASN HA H 4.75000 0.01 1 854 131 131 ASN HB2 H 2.88000 0.01 2 855 131 131 ASN HB3 H 2.76000 0.01 2 856 131 131 ASN CA C 53.40000 0.1 1 857 131 131 ASN CB C 38.87000 0.1 1 858 131 131 ASN N N 119.56606 0.1 1 859 132 132 GLU H H 8.37712 0.01 1 860 132 132 GLU HA H 4.33000 0.01 1 861 132 132 GLU CA C 56.62000 0.1 1 862 132 132 GLU CB C 30.36000 0.1 1 863 132 132 GLU CG C 36.33000 0.1 1 864 132 132 GLU N N 121.59236 0.1 1 865 133 133 VAL H H 8.14247 0.01 1 866 133 133 VAL HA H 4.13000 0.01 1 867 133 133 VAL HB H 2.05000 0.01 1 868 133 133 VAL HG1 H 0.92000 0.01 2 869 133 133 VAL CA C 62.42000 0.1 1 870 133 133 VAL CB C 32.96000 0.1 1 871 133 133 VAL CG1 C 21.08000 0.1 2 872 133 133 VAL N N 120.99615 0.1 1 873 134 134 PHE H H 8.42302 0.01 1 874 134 134 PHE HA H 4.77000 0.01 1 875 134 134 PHE HB2 H 3.18000 0.01 2 876 134 134 PHE HB3 H 3.09000 0.01 2 877 134 134 PHE CA C 57.78000 0.1 1 878 134 134 PHE CB C 39.76000 0.1 1 879 134 134 PHE N N 124.38258 0.1 1 880 135 135 THR H H 8.10562 0.01 1 881 135 135 THR HA H 4.34000 0.01 1 882 135 135 THR HB H 4.19000 0.01 1 883 135 135 THR HG2 H 1.23000 0.01 1 884 135 135 THR CA C 61.64000 0.1 1 885 135 135 THR CB C 70.25000 0.1 1 886 135 135 THR CG2 C 21.68000 0.1 1 887 135 135 THR N N 117.21517 0.1 1 888 136 136 ALA H H 8.34501 0.01 1 889 136 136 ALA HA H 4.42000 0.01 1 890 136 136 ALA HB H 1.47000 0.01 1 891 136 136 ALA CA C 52.62000 0.1 1 892 136 136 ALA CB C 19.22000 0.1 1 893 136 136 ALA N N 126.78439 0.1 1 894 137 137 THR H H 8.24594 0.01 1 895 137 137 THR HA H 4.43000 0.01 1 896 137 137 THR HB H 4.31000 0.01 1 897 137 137 THR HG2 H 1.28000 0.01 1 898 137 137 THR CA C 62.03000 0.1 1 899 137 137 THR CB C 69.95000 0.1 1 900 137 137 THR CG2 C 21.68000 0.1 1 901 137 137 THR N N 113.49513 0.1 1 902 138 138 THR H H 8.19524 0.01 1 903 138 138 THR HA H 4.48000 0.01 1 904 138 138 THR HB H 4.29000 0.01 1 905 138 138 THR HG2 H 1.26000 0.01 1 906 138 138 THR CA C 61.91000 0.1 1 907 138 138 THR CB C 69.95000 0.1 1 908 138 138 THR CG2 C 21.39000 0.1 1 909 138 138 THR N N 116.59916 0.1 1 910 139 139 THR H H 8.22560 0.01 1 911 139 139 THR HA H 4.38000 0.01 1 912 139 139 THR HB H 4.24000 0.01 1 913 139 139 THR HG2 H 1.26000 0.01 1 914 139 139 THR CA C 61.99000 0.1 1 915 139 139 THR CB C 69.81000 0.1 1 916 139 139 THR CG2 C 21.68000 0.1 1 917 139 139 THR N N 117.44688 0.1 1 918 140 140 LEU H H 8.35567 0.01 1 919 140 140 LEU HA H 4.43000 0.01 1 920 140 140 LEU HB2 H 1.63300 0.01 2 921 140 140 LEU HD1 H 0.94000 0.01 2 922 140 140 LEU CA C 55.18000 0.1 1 923 140 140 LEU CB C 42.40000 0.1 1 924 140 140 LEU CG C 26.95000 0.1 1 925 140 140 LEU CD1 C 24.61000 0.1 2 926 140 140 LEU CD2 C 23.71000 0.1 2 927 140 140 LEU N N 125.64053 0.1 1 928 141 141 VAL H H 8.21931 0.01 1 929 141 141 VAL N N 123.32895 0.1 1 930 142 142 PRO HA H 4.52000 0.01 1 931 142 142 PRO HB2 H 2.35000 0.01 2 932 142 142 PRO HB3 H 1.97000 0.01 2 933 142 142 PRO HD2 H 3.90000 0.01 2 934 142 142 PRO HD3 H 3.75000 0.01 2 935 142 142 PRO HG2 H 2.06000 0.01 2 936 142 142 PRO CA C 63.19000 0.1 1 937 142 142 PRO CB C 32.13000 0.1 1 938 142 142 PRO CG C 27.24000 0.1 1 939 142 142 PRO CD C 50.98000 0.1 1 940 143 143 THR H H 8.27952 0.01 1 941 143 143 THR HA H 4.29000 0.01 1 942 143 143 THR HB H 4.19000 0.01 1 943 143 143 THR HG2 H 1.28000 0.01 1 944 143 143 THR CA C 62.17000 0.1 1 945 143 143 THR CB C 70.11000 0.1 1 946 143 143 THR CG2 C 21.94000 0.1 1 947 143 143 THR N N 115.66007 0.1 1 948 144 144 LYS H H 8.34352 0.01 1 949 144 144 LYS HA H 4.38000 0.01 1 950 144 144 LYS HB2 H 1.84000 0.01 2 951 144 144 LYS HB3 H 1.76000 0.01 2 952 144 144 LYS HG2 H 1.43000 0.01 2 953 144 144 LYS HE2 H 3.03000 0.01 2 954 144 144 LYS CA C 56.11000 0.1 1 955 144 144 LYS CB C 33.29000 0.1 1 956 144 144 LYS CG C 24.40000 0.1 1 957 144 144 LYS CD C 29.00000 0.1 1 958 144 144 LYS CE C 42.19000 0.1 1 959 144 144 LYS N N 124.64269 0.1 1 960 145 145 LEU H H 8.32118 0.01 1 961 145 145 LEU HA H 4.48000 0.01 1 962 145 145 LEU HB2 H 1.50000 0.01 2 963 145 145 LEU HD1 H 0.84000 0.01 2 964 145 145 LEU CA C 54.56000 0.1 1 965 145 145 LEU CB C 42.66000 0.1 1 966 145 145 LEU CG C 26.92000 0.1 1 967 145 145 LEU CD1 C 24.90000 0.1 2 968 145 145 LEU CD2 C 23.40000 0.1 2 969 145 145 LEU N N 125.51409 0.1 1 970 146 146 GLU H H 8.85707 0.01 1 971 146 146 GLU HA H 4.31000 0.01 1 972 146 146 GLU HB2 H 2.01000 0.01 2 973 146 146 GLU HB3 H 1.92000 0.01 2 974 146 146 GLU HG2 H 2.24000 0.01 2 975 146 146 GLU CA C 56.49000 0.1 1 976 146 146 GLU CB C 30.36000 0.1 1 977 146 146 GLU CG C 36.33000 0.1 1 978 146 146 GLU N N 124.21756 0.1 1 979 147 147 THR H H 8.08816 0.01 1 980 147 147 THR HA H 4.12000 0.01 1 981 147 147 THR HB H 2.05000 0.01 1 982 147 147 THR HG2 H 0.92000 0.01 1 983 147 147 THR CA C 62.29000 0.1 1 984 147 147 THR CB C 33.00000 0.1 1 985 147 147 THR CG2 C 21.05000 0.1 1 986 147 147 THR N N 121.19082 0.1 1 987 148 148 PHE H H 7.83734 0.01 1 988 148 148 PHE CA C 59.07000 0.1 1 989 148 148 PHE CB C 40.60000 0.1 1 990 148 148 PHE HA H 4.52000 0.01 1 991 148 148 PHE N N 128.97537 0.1 1 992 149 149 PRO HA H 4.60000 0.01 1 993 149 149 PRO HB2 H 2.61000 0.01 2 994 149 149 PRO HB3 H 2.15000 0.01 2 995 149 149 PRO HD2 H 4.14000 0.01 2 996 149 149 PRO HD3 H 3.80000 0.01 2 997 149 149 PRO HG2 H 2.25000 0.01 2 998 149 149 PRO CA C 62.37000 0.1 1 999 149 149 PRO CB C 33.00000 0.1 1 1000 149 149 PRO CG C 27.82000 0.1 1 1001 149 149 PRO CD C 50.98000 0.1 1 1002 150 150 LEU H H 8.63455 0.01 1 1003 150 150 LEU HA H 3.87000 0.01 1 1004 150 150 LEU HB2 H 1.76000 0.01 2 1005 150 150 LEU HB3 H 1.51000 0.01 2 1006 150 150 LEU HD1 H 0.89000 0.01 2 1007 150 150 LEU CA C 58.81000 0.1 1 1008 150 150 LEU CB C 42.40000 0.1 1 1009 150 150 LEU N N 122.74419 0.1 1 1010 151 151 ASP H H 8.54551 0.01 1 1011 151 151 ASP HA H 4.31000 0.01 1 1012 151 151 ASP HB2 H 2.68000 0.01 2 1013 151 151 ASP CA C 56.62000 0.1 1 1014 151 151 ASP CB C 40.33000 0.1 1 1015 151 151 ASP N N 112.80469 0.1 1 1016 152 152 VAL H H 7.31335 0.01 1 1017 152 152 VAL HA H 3.99000 0.01 1 1018 152 152 VAL HB H 2.34000 0.01 1 1019 152 152 VAL HG1 H 1.18000 0.01 2 1020 152 152 VAL HG2 H 0.87000 0.01 2 1021 152 152 VAL CA C 63.97000 0.1 1 1022 152 152 VAL CB C 32.22000 0.1 1 1023 152 152 VAL CG1 C 22.55000 0.1 2 1024 152 152 VAL CG2 C 20.80000 0.1 2 1025 152 152 VAL N N 116.62314 0.1 1 1026 153 153 LEU H H 7.35932 0.01 1 1027 153 153 LEU HA H 4.12000 0.01 1 1028 153 153 LEU HB2 H 1.84000 0.01 2 1029 153 153 LEU HB3 H 1.26000 0.01 2 1030 153 153 LEU HG H 1.01000 0.01 2 1031 153 153 LEU HD1 H 0.70000 0.01 2 1032 153 153 LEU CA C 56.30000 0.1 1 1033 153 153 LEU CB C 44.44000 0.1 1 1034 153 153 LEU N N 117.66735 0.1 1 1035 154 154 VAL H H 8.05842 0.01 1 1036 154 154 VAL CA C 63.71000 0.1 1 1037 154 154 VAL CB C 32.43000 0.1 1 1038 154 154 VAL N N 117.50000 0.1 1 1039 155 155 ASN HA H 4.63000 0.01 1 1040 155 155 ASN HB2 H 3.02000 0.01 2 1041 155 155 ASN HB3 H 2.93000 0.01 2 1042 155 155 ASN CA C 54.81000 0.1 1 1043 155 155 ASN CB C 38.43000 0.1 1 1044 156 156 THR H H 7.45230 0.01 1 1045 156 156 THR HA H 4.30000 0.01 1 1046 156 156 THR HB H 3.84000 0.01 1 1047 156 156 THR HG2 H 1.26000 0.01 1 1048 156 156 THR CA C 62.67000 0.1 1 1049 156 156 THR CB C 70.12000 0.1 1 1050 156 156 THR CG2 C 21.97000 0.1 1 1051 156 156 THR N N 114.71149 0.1 1 1052 157 157 ALA H H 9.08245 0.01 1 1053 157 157 ALA HA H 4.31000 0.01 1 1054 157 157 ALA HB H 1.53000 0.01 1 1055 157 157 ALA CA C 52.11000 0.1 1 1056 157 157 ALA CB C 19.00000 0.1 1 1057 157 157 ALA N N 130.86053 0.1 1 1058 158 158 ALA H H 8.72298 0.01 1 1059 158 158 ALA HA H 3.95000 0.01 1 1060 158 158 ALA HB H 1.47000 0.01 1 1061 158 158 ALA CA C 55.46000 0.1 1 1062 158 158 ALA CB C 18.10000 0.1 1 1063 158 158 ALA N N 124.35720 0.1 1 1064 159 159 GLU H H 9.25156 0.01 1 1065 159 159 GLU HA H 4.16000 0.01 1 1066 159 159 GLU HB2 H 2.05000 0.01 2 1067 159 159 GLU HG2 H 2.32000 0.01 2 1068 159 159 GLU CA C 58.42000 0.1 1 1069 159 159 GLU CB C 28.82000 0.1 1 1070 159 159 GLU CG C 36.03000 0.1 1 1071 159 159 GLU N N 114.88702 0.1 1 1072 160 160 ASP H H 7.82030 0.01 1 1073 160 160 ASP HA H 4.84000 0.01 1 1074 160 160 ASP HB2 H 2.93000 0.01 2 1075 160 160 ASP HB3 H 2.59000 0.01 2 1076 160 160 ASP CA C 53.79000 0.1 1 1077 160 160 ASP CB C 42.42000 0.1 1 1078 160 160 ASP N N 118.10905 0.1 1 1079 161 161 LEU H H 7.19098 0.01 1 1080 161 161 LEU CA C 53.52000 0.1 1 1081 161 161 LEU CB C 42.06000 0.1 1 1082 161 161 LEU HA H 4.21000 0.01 1 1083 161 161 LEU HB2 H 1.73000 0.01 2 1084 161 161 LEU HB3 H 1.16000 0.01 2 1085 161 161 LEU N N 122.27628 0.1 1 1086 162 162 PRO HA H 4.31000 0.01 1 1087 162 162 PRO HB2 H 2.18000 0.01 2 1088 162 162 PRO HB3 H 1.23000 0.01 2 1089 162 162 PRO HD2 H 3.68000 0.01 2 1090 162 162 PRO HD3 H 2.74000 0.01 2 1091 162 162 PRO HG2 H 1.64000 0.01 2 1092 162 162 PRO HG3 H 0.89000 0.01 2 1093 162 162 PRO CA C 62.43000 0.1 1 1094 162 162 PRO CB C 32.12000 0.1 1 1095 162 162 PRO CG C 27.24000 0.1 1 1096 162 162 PRO CD C 50.10000 0.1 1 1097 163 163 ARG H H 8.51791 0.01 1 1098 163 163 ARG HA H 4.07000 0.01 1 1099 163 163 ARG HB2 H 1.88000 0.01 2 1100 163 163 ARG HD2 H 3.29000 0.01 2 1101 163 163 ARG CA C 57.67000 0.1 1 1102 163 163 ARG CB C 29.78000 0.1 1 1103 163 163 ARG CG C 26.66000 0.1 1 1104 163 163 ARG CD C 43.36000 0.1 1 1105 163 163 ARG N N 122.64223 0.1 1 1106 164 164 GLY H H 8.78148 0.01 1 1107 164 164 GLY HA2 H 4.26000 0.01 2 1108 164 164 GLY HA3 H 3.78000 0.01 2 1109 164 164 GLY CA C 44.96000 0.1 1 1110 164 164 GLY N N 110.38691 0.1 1 1111 165 165 VAL H H 7.14732 0.01 1 1112 165 165 VAL HA H 3.22000 0.01 1 1113 165 165 VAL HB H 1.67000 0.01 1 1114 165 165 VAL HG1 H 0.46000 0.01 2 1115 165 165 VAL HG2 H 0.09000 0.01 2 1116 165 165 VAL CA C 61.49000 0.1 1 1117 165 165 VAL CB C 31.89000 0.1 1 1118 165 165 VAL CG1 C 23.13000 0.1 2 1119 165 165 VAL CG2 C 21.51000 0.1 2 1120 165 165 VAL N N 119.98865 0.1 1 1121 166 166 ASP H H 8.70098 0.01 1 1122 166 166 ASP CA C 50.55000 0.1 1 1123 166 166 ASP CB C 41.49000 0.1 1 1124 166 166 ASP HA H 4.94000 0.01 1 1125 166 166 ASP N N 130.93724 0.1 1 1126 167 167 PRO HA H 4.00000 0.01 1 1127 167 167 PRO HB2 H 2.25000 0.01 2 1128 167 167 PRO HB3 H 2.10000 0.01 2 1129 167 167 PRO HD2 H 4.24000 0.01 2 1130 167 167 PRO HG2 H 2.01000 0.01 2 1131 167 167 PRO CA C 64.36000 0.1 1 1132 167 167 PRO CB C 31.83000 0.1 1 1133 167 167 PRO CG C 26.95000 0.1 1 1134 167 167 PRO CD C 50.97000 0.1 1 1135 168 168 SER H H 8.66104 0.01 1 1136 168 168 SER HA H 4.63000 0.01 1 1137 168 168 SER HB2 H 4.05000 0.01 2 1138 168 168 SER CA C 59.46000 0.1 1 1139 168 168 SER CB C 64.38000 0.1 1 1140 168 168 SER N N 113.88682 0.1 1 1141 169 169 ARG H H 7.97177 0.01 1 1142 169 169 ARG CA C 53.78000 0.1 1 1143 169 169 ARG CB C 30.98000 0.1 1 1144 169 169 ARG HA H 4.99000 0.01 1 1145 169 169 ARG N N 125.18179 0.1 1 1146 170 170 LYS HA H 3.95000 0.01 1 1147 170 170 LYS HB2 H 2.03000 0.01 2 1148 170 170 LYS HB3 H 1.78000 0.01 2 1149 170 170 LYS CA C 61.78000 0.1 1 1150 170 170 LYS CB C 34.27000 0.1 1 1151 170 170 LYS CG C 27.54000 0.1 1 1152 170 170 LYS CD C 30.17000 0.1 1 1153 170 170 LYS CE C 42.47000 0.1 1 1154 171 171 GLU H H 10.83581 0.01 1 1155 171 171 GLU HA H 4.26000 0.01 1 1156 171 171 GLU HB2 H 2.17000 0.01 2 1157 171 171 GLU HB3 H 1.92000 0.01 2 1158 171 171 GLU HG2 H 2.47000 0.01 2 1159 171 171 GLU HG3 H 2.27000 0.01 2 1160 171 171 GLU CA C 58.74000 0.1 1 1161 171 171 GLU CB C 27.45000 0.1 1 1162 171 171 GLU CG C 34.86000 0.1 1 1163 171 171 GLU N N 117.28967 0.1 1 1164 172 172 ASN H H 7.94966 0.01 1 1165 172 172 ASN HA H 4.55000 0.01 1 1166 172 172 ASN HB2 H 2.93000 0.01 2 1167 172 172 ASN HB3 H 2.72000 0.01 2 1168 172 172 ASN CA C 54.10000 0.1 1 1169 172 172 ASN CB C 37.64000 0.1 1 1170 172 172 ASN N N 120.47654 0.1 1 1171 173 173 HIS H H 8.04921 0.01 1 1172 173 173 HIS HA H 4.65000 0.01 1 1173 173 173 HIS HB2 H 3.95000 0.01 2 1174 173 173 HIS HD2 H 7.29000 0.01 1 1175 173 173 HIS CA C 56.02000 0.1 1 1176 173 173 HIS CB C 29.29000 0.1 1 1177 173 173 HIS N N 116.59916 0.1 1 1178 174 174 LEU H H 6.93985 0.01 1 1179 174 174 LEU HA H 5.16000 0.01 1 1180 174 174 LEU HB2 H 2.09000 0.01 2 1181 174 174 LEU HB3 H 1.80000 0.01 2 1182 174 174 LEU HD1 H 1.09000 0.01 2 1183 174 174 LEU HD2 H 0.94000 0.01 2 1184 174 174 LEU CA C 53.15000 0.1 1 1185 174 174 LEU CB C 44.74000 0.1 1 1186 174 174 LEU CG C 26.66000 0.1 1 1187 174 174 LEU CD1 C 24.32000 0.1 2 1188 174 174 LEU N N 117.85241 0.1 1 1189 175 175 SER H H 10.08846 0.01 1 1190 175 175 SER HA H 4.46000 0.01 1 1191 175 175 SER HB2 H 4.13000 0.01 2 1192 175 175 SER CA C 57.39000 0.1 1 1193 175 175 SER CB C 64.67000 0.1 1 1194 175 175 SER N N 120.35047 0.1 1 1195 176 176 ASP H H 9.25968 0.01 1 1196 176 176 ASP HA H 4.38000 0.01 1 1197 176 176 ASP HB2 H 2.76000 0.01 2 1198 176 176 ASP CA C 58.56000 0.1 1 1199 176 176 ASP CB C 39.75000 0.1 1 1200 176 176 ASP N N 122.52326 0.1 1 1201 177 177 GLU H H 8.93220 0.01 1 1202 177 177 GLU HA H 4.14000 0.01 1 1203 177 177 GLU HB2 H 2.09000 0.01 2 1204 177 177 GLU HG2 H 2.48000 0.01 2 1205 177 177 GLU HG3 H 2.38000 0.01 2 1206 177 177 GLU CA C 60.10000 0.1 1 1207 177 177 GLU CB C 29.17000 0.1 1 1208 177 177 GLU CG C 36.62000 0.1 1 1209 177 177 GLU N N 119.42390 0.1 1 1210 178 178 ASP H H 8.04979 0.01 1 1211 178 178 ASP HA H 4.64000 0.01 1 1212 178 178 ASP HB2 H 2.97000 0.01 2 1213 178 178 ASP HB3 H 2.55000 0.01 2 1214 178 178 ASP CA C 57.27000 0.1 1 1215 178 178 ASP CB C 40.34000 0.1 1 1216 178 178 ASP N N 122.57485 0.1 1 1217 179 179 PHE H H 9.31286 0.01 1 1218 179 179 PHE HA H 3.83000 0.01 1 1219 179 179 PHE HB2 H 3.09000 0.01 2 1220 179 179 PHE HB3 H 3.49000 0.01 2 1221 179 179 PHE HD1 H 7.27000 0.01 3 1222 179 179 PHE HE1 H 6.58000 0.01 3 1223 179 179 PHE CA C 62.68000 0.1 1 1224 179 179 PHE CB C 40.03000 0.1 1 1225 179 179 PHE N N 121.76460 0.1 1 1226 180 180 LYS H H 7.98458 0.01 1 1227 180 180 LYS HA H 4.38000 0.01 1 1228 180 180 LYS HB2 H 2.01000 0.01 2 1229 180 180 LYS HG2 H 1.50000 0.01 2 1230 180 180 LYS HD2 H 1.72000 0.01 2 1231 180 180 LYS HE2 H 2.98000 0.01 2 1232 180 180 LYS CA C 59.18000 0.1 1 1233 180 180 LYS CB C 32.41000 0.1 1 1234 180 180 LYS CG C 24.90000 0.1 1 1235 180 180 LYS CD C 29.30000 0.1 1 1236 180 180 LYS CE C 42.18000 0.1 1 1237 180 180 LYS N N 117.96453 0.1 1 1238 181 181 ALA H H 7.85246 0.01 1 1239 181 181 ALA HA H 4.14000 0.01 1 1240 181 181 ALA HB H 1.63000 0.01 1 1241 181 181 ALA CA C 55.07000 0.1 1 1242 181 181 ALA CB C 18.34000 0.1 1 1243 181 181 ALA N N 122.30537 0.1 1 1244 182 182 VAL H H 8.23428 0.01 1 1245 182 182 VAL HA H 3.68000 0.01 1 1246 182 182 VAL HB H 1.55000 0.01 1 1247 182 182 VAL HG1 H 0.85000 0.01 2 1248 182 182 VAL HG2 H -0.10000 0.01 2 1249 182 182 VAL CA C 65.13000 0.1 1 1250 182 182 VAL CB C 32.42000 0.1 1 1251 182 182 VAL CG1 C 23.44000 0.1 2 1252 182 182 VAL CG2 C 20.51000 0.1 2 1253 182 182 VAL N N 117.25805 0.1 1 1254 183 183 PHE H H 8.34676 0.01 1 1255 183 183 PHE HA H 4.49000 0.01 1 1256 183 183 PHE HB2 H 3.03000 0.01 2 1257 183 183 PHE HB3 H 2.49000 0.01 2 1258 183 183 PHE CA C 59.71000 0.1 1 1259 183 183 PHE CB C 39.75000 0.1 1 1260 183 183 PHE N N 113.26266 0.1 1 1261 184 184 GLY H H 8.29823 0.01 1 1262 184 184 GLY HA2 H 4.04000 0.01 2 1263 184 184 GLY CA C 46.56000 0.1 1 1264 184 184 GLY N N 108.69358 0.1 1 1265 185 185 MET H H 7.58165 0.01 1 1266 185 185 MET HA H 4.92000 0.01 1 1267 185 185 MET HB2 H 2.43000 0.01 2 1268 185 185 MET HB3 H 2.18000 0.01 2 1269 185 185 MET HG2 H 2.92000 0.01 2 1270 185 185 MET CA C 53.52000 0.1 1 1271 185 185 MET CB C 35.36000 0.1 1 1272 185 185 MET CG C 29.30000 0.1 1 1273 185 185 MET N N 112.75005 0.1 1 1274 186 186 THR H H 8.25007 0.01 1 1275 186 186 THR HA H 4.53000 0.01 1 1276 186 186 THR HB H 4.76000 0.01 1 1277 186 186 THR HG2 H 1.43000 0.01 1 1278 186 186 THR CA C 60.94000 0.1 1 1279 186 186 THR CB C 71.13000 0.1 1 1280 186 186 THR CG2 C 22.26000 0.1 1 1281 186 186 THR N N 107.33460 0.1 1 1282 187 187 ARG H H 8.59306 0.01 1 1283 187 187 ARG HA H 3.39000 0.01 1 1284 187 187 ARG HB2 H 1.26000 0.01 2 1285 187 187 ARG HB3 H 1.17000 0.01 2 1286 187 187 ARG HG2 H 0.63000 0.01 2 1287 187 187 ARG HD2 H 3.07000 0.01 2 1288 187 187 ARG HD3 H 2.91000 0.01 2 1289 187 187 ARG CA C 59.59000 0.1 1 1290 187 187 ARG CB C 29.43008 0.1 1 1291 187 187 ARG CG C 26.94000 0.1 1 1292 187 187 ARG CD C 42.48000 0.1 1 1293 187 187 ARG N N 120.73595 0.1 1 1294 188 188 SER H H 8.19102 0.01 1 1295 188 188 SER HA H 4.14000 0.01 1 1296 188 188 SER HB2 H 3.84000 0.01 2 1297 188 188 SER CA C 61.00000 0.1 1 1298 188 188 SER CB C 62.33000 0.1 1 1299 188 188 SER N N 113.80394 0.1 1 1300 189 189 ALA H H 7.62435 0.01 1 1301 189 189 ALA HA H 4.14000 0.01 1 1302 189 189 ALA HB H 1.55000 0.01 1 1303 189 189 ALA CA C 54.97000 0.1 1 1304 189 189 ALA CB C 18.64000 0.1 1 1305 189 189 ALA N N 125.38907 0.1 1 1306 190 190 PHE H H 8.27404 0.01 1 1307 190 190 PHE HA H 4.18000 0.01 1 1308 190 190 PHE HB2 H 3.26000 0.01 2 1309 190 190 PHE HB3 H 3.09000 0.01 2 1310 190 190 PHE HD1 H 7.00000 0.01 3 1311 190 190 PHE HE1 H 6.90000 0.01 3 1312 190 190 PHE CA C 61.26000 0.1 1 1313 190 190 PHE CB C 40.34000 0.1 1 1314 190 190 PHE N N 120.81840 0.1 1 1315 191 191 ALA H H 7.93644 0.01 1 1316 191 191 ALA HA H 4.02000 0.01 1 1317 191 191 ALA HB H 1.51000 0.01 1 1318 191 191 ALA CA C 53.65000 0.1 1 1319 191 191 ALA CB C 18.06000 0.1 1 1320 191 191 ALA N N 117.95358 0.1 1 1321 192 192 ASN H H 7.19645 0.01 1 1322 192 192 ASN HA H 4.72000 0.01 1 1323 192 192 ASN HB2 H 2.93000 0.01 2 1324 192 192 ASN HB3 H 2.72000 0.01 2 1325 192 192 ASN CA C 52.95000 0.1 1 1326 192 192 ASN CB C 39.48000 0.1 1 1327 192 192 ASN N N 113.42014 0.1 1 1328 193 193 LEU H H 7.44895 0.01 1 1329 193 193 LEU CA C 53.14000 0.1 1 1330 193 193 LEU CB C 41.13000 0.1 1 1331 193 193 LEU HA H 4.38000 0.01 1 1332 193 193 LEU N N 122.03336 0.1 1 1333 194 194 PRO HA H 4.41000 0.01 1 1334 194 194 PRO HB2 H 2.42000 0.01 2 1335 194 194 PRO HB3 H 2.13000 0.01 2 1336 194 194 PRO HD2 H 3.83000 0.01 2 1337 194 194 PRO HD3 H 3.13000 0.01 2 1338 194 194 PRO HG2 H 1.64000 0.01 2 1339 194 194 PRO HG3 H 1.12000 0.01 2 1340 194 194 PRO CA C 62.42000 0.1 1 1341 194 194 PRO CB C 32.21000 0.1 1 1342 194 194 PRO CG C 27.83000 0.1 1 1343 194 194 PRO CD C 49.80000 0.1 1 1344 195 195 LEU H H 8.89745 0.01 1 1345 195 195 LEU HA H 3.84000 0.01 1 1346 195 195 LEU HB2 H 1.84000 0.01 2 1347 195 195 LEU HB3 H 1.72000 0.01 2 1348 195 195 LEU HD1 H 1.00000 0.01 2 1349 195 195 LEU CA C 58.81000 0.1 1 1350 195 195 LEU CB C 40.92000 0.1 1 1351 195 195 LEU CG C 26.95000 0.1 1 1352 195 195 LEU CD1 C 24.61000 0.1 2 1353 195 195 LEU CD2 C 23.44000 0.1 2 1354 195 195 LEU N N 125.88307 0.1 1 1355 196 196 TRP H H 8.03212 0.01 1 1356 196 196 TRP HA H 4.46000 0.01 1 1357 196 196 TRP HB2 H 3.55000 0.01 2 1358 196 196 TRP HB3 H 3.30000 0.01 2 1359 196 196 TRP CA C 58.94000 0.1 1 1360 196 196 TRP CB C 26.85000 0.1 1 1361 196 196 TRP N N 114.66301 0.1 1 1362 197 197 LYS H H 6.12355 0.01 1 1363 197 197 LYS HA H 3.73000 0.01 1 1364 197 197 LYS HB2 H 1.34000 0.01 2 1365 197 197 LYS HB3 H 0.38000 0.01 2 1366 197 197 LYS HG2 H 0.94000 0.01 2 1367 197 197 LYS HG3 H 0.75000 0.01 2 1368 197 197 LYS HE2 H 2.88000 0.01 2 1369 197 197 LYS HE3 H 2.81000 0.01 2 1370 197 197 LYS CA C 58.43000 0.1 1 1371 197 197 LYS CB C 31.78000 0.1 1 1372 197 197 LYS CG C 24.79000 0.1 1 1373 197 197 LYS CD C 29.01000 0.1 1 1374 197 197 LYS CE C 42.18000 0.1 1 1375 197 197 LYS N N 123.69062 0.1 1 1376 198 198 GLN H H 7.58379 0.01 1 1377 198 198 GLN HA H 3.44000 0.01 1 1378 198 198 GLN HB2 H 2.09000 0.01 2 1379 198 198 GLN HB3 H 1.92000 0.01 2 1380 198 198 GLN CA C 59.49000 0.1 1 1381 198 198 GLN CB C 28.61000 0.1 1 1382 198 198 GLN CG C 33.39000 0.1 1 1383 198 198 GLN N N 119.05288 0.1 1 1384 199 199 GLN H H 8.38841 0.01 1 1385 199 199 GLN HA H 4.07000 0.01 1 1386 199 199 GLN HB2 H 2.38000 0.01 2 1387 199 199 GLN HB3 H 2.05000 0.01 2 1388 199 199 GLN HG2 H 2.73000 0.01 1 1389 199 199 GLN HG3 H 2.47000 0.01 1 1390 199 199 GLN CA C 59.58000 0.1 1 1391 199 199 GLN CB C 28.31000 0.1 1 1392 199 199 GLN N N 115.28571 0.1 1 1393 200 200 ASN H H 8.05189 0.01 1 1394 200 200 ASN HA H 4.50000 0.01 1 1395 200 200 ASN HB2 H 3.05000 0.01 2 1396 200 200 ASN CA C 56.59000 0.1 1 1397 200 200 ASN CB C 38.28000 0.1 1 1398 200 200 ASN N N 119.11397 0.1 1 1399 201 201 LEU H H 8.51980 0.01 1 1400 201 201 LEU HA H 4.36000 0.01 1 1401 201 201 LEU HB2 H 2.22000 0.01 2 1402 201 201 LEU HB3 H 1.76000 0.01 2 1403 201 201 LEU HG H 1.96000 0.01 2 1404 201 201 LEU HD1 H 1.13000 0.01 2 1405 201 201 LEU HD2 H 1.04000 0.01 2 1406 201 201 LEU CA C 58.18000 0.1 1 1407 201 201 LEU CB C 42.68000 0.1 1 1408 201 201 LEU CG C 27.54000 0.1 1 1409 201 201 LEU CD1 C 25.90000 0.1 2 1410 201 201 LEU CD2 C 23.53000 0.1 2 1411 201 201 LEU N N 121.21903 0.1 1 1412 202 202 LYS H H 8.45336 0.01 1 1413 202 202 LYS HA H 3.95000 0.01 1 1414 202 202 LYS HB2 H 2.18000 0.01 2 1415 202 202 LYS HB3 H 1.76000 0.01 2 1416 202 202 LYS CA C 61.65000 0.1 1 1417 202 202 LYS CB C 31.89000 0.1 1 1418 202 202 LYS N N 117.10635 0.1 1 1419 203 203 LYS H H 8.72593 0.01 1 1420 203 203 LYS HA H 4.26000 0.01 1 1421 203 203 LYS HB2 H 2.05000 0.01 2 1422 203 203 LYS HG2 H 1.28000 0.01 2 1423 203 203 LYS HG3 H 1.50000 0.01 2 1424 203 203 LYS HE2 H 2.44000 0.01 2 1425 203 203 LYS CA C 60.23000 0.1 1 1426 203 203 LYS CB C 32.71000 0.1 1 1427 203 203 LYS CG C 26.07000 0.1 1 1428 203 203 LYS CD C 29.59000 0.1 1 1429 203 203 LYS CE C 45.41000 0.1 1 1430 203 203 LYS N N 120.42209 0.1 1 1431 204 204 GLU H H 8.15300 0.01 1 1432 204 204 GLU HA H 4.14000 0.01 1 1433 204 204 GLU HB2 H 2.38000 0.01 2 1434 204 204 GLU HB3 H 2.26000 0.01 2 1435 204 204 GLU HG2 H 2.57000 0.01 2 1436 204 204 GLU HG3 H 2.38000 0.01 2 1437 204 204 GLU CA C 59.20000 0.1 1 1438 204 204 GLU CB C 29.90000 0.1 1 1439 204 204 GLU CG C 36.32000 0.1 1 1440 204 204 GLU N N 119.85000 0.1 1 1441 205 205 LYS H H 7.53668 0.01 1 1442 205 205 LYS HA H 4.46000 0.01 1 1443 205 205 LYS HB2 H 1.80000 0.01 2 1444 205 205 LYS HB3 H 1.53000 0.01 2 1445 205 205 LYS HG2 H 0.96000 0.01 2 1446 205 205 LYS HD2 H 1.67000 0.01 2 1447 205 205 LYS HE2 H 3.02000 0.01 2 1448 205 205 LYS HE3 H 2.91000 0.01 2 1449 205 205 LYS CA C 53.60000 0.1 1 1450 205 205 LYS CB C 31.83000 0.1 1 1451 205 205 LYS CG C 24.02000 0.1 1 1452 205 205 LYS CD C 27.24000 0.1 1 1453 205 205 LYS CE C 42.77000 0.1 1 1454 205 205 LYS N N 113.86293 0.1 1 1455 206 206 GLY H H 7.67681 0.01 1 1456 206 206 GLY CA C 46.82000 0.1 1 1457 206 206 GLY HA2 H 4.21000 0.01 2 1458 206 206 GLY N N 106.10930 0.1 1 stop_ save_ save_T1_relaxation _Saveframe_category T1_relaxation _Details . loop_ _Software_label $NMRView stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 750 _T1_coherence_type Nz _T1_value_units s-1 _Mol_system_component_name D6-HP _Text_data_format . _Text_data . loop_ _T1_ID _Residue_seq_code _Residue_label _Atom_name _T1_value _T1_value_error 1 6 CYS N 0.920809560148352 0.0207964839159505 2 7 SER N 0.931511016716711 0.0460371374681733 3 8 ASN N 0.970311634007479 0.02309632782428 4 9 LYS N 1.03563062732426 0.0202465787641893 5 10 THR N 1.1350989027168 0.0419350938619696 6 11 GLY N 1.05453062098089 0.0413397094036928 7 12 ARG N 0.961147273673896 0.0618527105027362 8 13 PHE N 1.0511382865326 0.0525064596888767 9 14 LEU N 0.938989276900208 0.0371126121802038 10 15 ALA N 0.84096425560314 0.0426780950076038 11 16 THR N 0.830945323884107 0.0259005657454676 12 17 GLU N 1.04348647011373 0.0423572027948566 13 19 VAL N 0.892052861625295 0.0452743588860686 14 20 ASP N 0.85919025670963 0.0408802724142442 15 21 PHE N 0.780912351801714 0.0546583982396574 16 22 THR N 1.00319260428435 0.0237194859356991 17 23 GLN N 1.00503504870786 0.0343410425792988 18 24 ASP N 1.11126818392994 0.048235706791663 19 25 ASP N 1.00381352169859 0.0418048179246596 20 26 LEU N 0.905740719909878 0.0513201749308136 21 27 ASP N 0.806321897168538 0.0209659819701763 22 28 GLU N 0.871959991057527 0.0305255753669419 23 29 ASN N 1.03670366278113 0.037822059729244 24 30 ASP N 0.962485154532728 0.0360874183840501 25 31 VAL N 0.975682147905395 0.0342200999734859 26 32 TYR N 0.966703289511874 0.031994012069685 27 33 LEU N 0.910456797899005 0.0245604825801236 28 34 LEU N 0.98855144924618 0.0355483101148926 29 35 ASP N 1.00099727957568 0.0249198272750365 30 36 THR N 0.942690527396954 0.0303423800053258 31 37 TRP N 1.01608887211566 0.0294056119590271 32 38 ASP N 0.867454582719448 0.0417714079762723 33 39 GLN N 1.00863641094049 0.0700568591946939 34 41 PHE N 0.96334210751426 0.0281902800921898 35 42 PHE N 0.954194460749057 0.0274445410800644 36 43 TRP N 0.960604560860734 0.0341590981842077 37 44 ILE N 0.946073143945977 0.0390302475534913 38 46 LYS N 0.949247282786298 0.0328667379191928 39 47 GLY N 0.999855096000212 0.0320403565513268 40 48 ALA N 1.05574767154297 0.051081295339935 41 50 GLU N 1.03385305084845 0.0367017833051201 42 52 GLU N 0.933670624336163 0.0495639050928852 43 53 LYS N 0.914104562371467 0.0424126234849113 44 54 GLU N 0.859694816008795 0.053666448889349 45 55 ALA N 0.901135578525063 0.0556153844998313 46 56 ALA N 0.925448492190185 0.0574851585408856 47 57 ALA N 0.94299748704466 0.0632458984585983 48 58 GLU N 0.862825832618537 0.0669656385211899 49 59 THR N 0.88892648771377 0.0464872996014793 50 64 LEU N 0.993615329948809 0.0326263529741991 51 65 ARG N 0.927018748844807 0.0379799581401718 52 66 SER N 0.941610171358946 0.0426088018641637 53 67 HIS N 1.18369196005728 0.0257133404483242 54 74 ASP N 1.01739240558221 0.0259913237854088 55 75 THR N 0.903165109793962 0.0451961884243095 56 78 ILE N 0.894652609196585 0.0313352076371104 57 79 VAL N 0.87076965158675 0.0406797458131782 58 80 VAL N 0.932055912677128 0.035521582888038 59 81 LYS N 0.874486191484384 0.0483739526543417 60 82 GLN N 0.891614008433716 0.0395769626063558 61 83 GLY N 0.939402840890592 0.0192530612240527 62 84 PHE N 0.928338221389932 0.0132687381983263 63 88 THR N 1.22111505904258 0.0270391507523798 64 89 PHE N 0.90071046068583 0.0345251326685485 65 90 THR N 0.981073209228063 0.038212801499433 66 91 GLY N 1.08205741036944 0.0415953689120115 67 92 TRP N 0.942804471630723 0.0371738375119278 68 93 PHE N 0.970098857312892 0.0423933200645734 69 94 MET N 0.98544627507339 0.0523074882808955 70 95 ALA N 0.999238302625151 0.0665372800952036 71 97 ASP N 0.868081305620118 0.0356824820675149 72 99 LEU N 0.948909935631131 0.0480091492833214 73 100 CYS N 0.953565673271318 0.0267694491457457 74 101 TRP N 1.09149373186421 0.0415826367028308 75 102 SER N 1.21489370853638 0.0778443143744683 76 105 LYS N 1.56969266535234 0.144386610129769 77 106 SER N 1.58410011091964 0.0474976577258145 78 109 GLU N 1.57997902404048 0.101540511938009 79 110 LEU N 1.56764684423112 0.0759195690192689 80 112 ALA N 1.63046042602949 0.102402697517208 81 113 GLU N 1.57287900337441 0.134945154094508 82 117 ASN N 1.32785935001452 0.0684591166493487 83 118 ALA N 1.50256275751615 0.0835980841399263 84 119 SER N 1.58966978398421 0.0565986029889737 85 120 ILE N 1.1732926078776 0.103822316285873 86 121 GLY N 1.53143915015516 0.0419262096137979 87 125 SER N 1.14294744484887 0.0326231489183212 88 126 GLY N 1.43320190121857 0.00962825037238634 89 128 THR N 1.65107213351378 0.0252052671902213 90 132 GLU N 1.73377390261973 0.0492149059997636 91 134 PHE N 1.64092234538475 0.0545573861393521 92 136 ALA N 1.59451455612646 0.0244566642618676 93 137 THR N 1.56568063127492 0.0188695829681253 94 138 THR N 1.54519837993861 0.0377012952721222 95 143 THR N 1.52651202347807 0.22552230681258 96 144 LYS N 1.58363278773594 0.14339794892949 97 145 LEU N 1.50256027857131 0.144394540210424 98 146 GLU N 1.46380503380506 0.0195022744653848 99 148 PHE N 0.942878342479916 0.0221133257661815 100 150 LEU N 1.29953589947325 0.0292655484561375 101 151 ASP N 1.38798598472824 0.0294683304417653 102 152 VAL N 1.35008515574364 0.0278360557411224 103 153 LEU N 1.39133008380308 0.0141540009425287 104 156 THR N 1.28928953698775 0.0455454421836293 105 157 ALA N 1.37863136222623 0.0166924685338352 106 158 ALA N 1.38651544789375 0.0747858702284932 107 159 GLU N 1.34844781702271 0.0316251466526336 108 160 ASP N 1.32891742577819 0.0357186425700661 109 161 LEU N 1.35392879815991 0.0328327733553777 110 163 ARG N 1.427751850058 0.100639372406889 111 164 GLY N 1.50598814318668 0.0479295786450592 112 165 VAL N 1.28828303245331 0.02614055101151 113 166 ASP N 1.35493995743462 0.0135439798145164 114 168 SER N 1.42162729508257 0.0507663107073985 115 169 ARG N 1.40757403737739 0.0309145485829197 116 171 GLU N 1.41900693263216 0.0163157417114045 117 172 ASN N 1.51954285817371 0.0503591698627351 118 173 HIS N 1.39896662084948 0.041927029626859 119 174 LEU N 1.34428803149837 0.0142454202697882 120 175 SER N 1.45477524555315 0.0555738691553759 121 176 ASP N 1.59742129430604 0.0603633558692365 122 177 GLU N 1.47176334742401 0.0681735500160274 123 178 ASP N 1.41150383274034 0.0507336822601861 124 179 PHE N 1.39711960573151 0.0428049504804019 125 180 LYS N 1.36654952608684 0.0548409990313911 126 181 ALA N 1.34776708136211 0.0549363340034009 127 183 PHE N 1.28846041120735 0.0457223061521039 128 185 MET N 1.37377342021978 0.0538711509004983 129 186 THR N 1.32103720009843 0.0501439300413363 130 187 ARG N 1.517234832599 0.060760703341092 131 188 SER N 1.73209484325729 0.0500315595474868 132 189 ALA N 1.50313639479788 0.0508826701003032 133 191 ALA N 1.44315123710193 0.0532811436738032 134 193 LEU N 1.30252891185327 0.0552988649527304 135 195 LEU N 1.62703544574816 0.0231624766056708 136 196 TRP N 1.54928920849837 0.0979600073641434 137 197 LYS N 1.44840552552919 0.0337753684498152 138 198 GLN N 1.35132775789915 0.0322007891429787 139 200 ASN N 1.3801735529598 0.0475897642796068 140 202 LYS N 1.35359499908372 0.043768494295372 141 203 LYS N 1.35263607595686 0.0309131448799181 142 204 GLU N 1.39958609256716 0.0646090927911779 143 205 LYS N 1.32468805172761 0.0443942706775473 144 206 GLY N 1.34854395800664 0.0418291364894501 stop_ save_ save_T2_relaxation _Saveframe_category T2_relaxation _Details . loop_ _Software_label $NMRView stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 750 _T2_coherence_type NzHz _T2_value_units s-1 _Mol_system_component_name D6-HP _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 6 CYS N 15.7994658484987 0.264546256167262 . . 2 7 SER N 18.5699059187285 0.579399634570249 . . 3 8 ASN N 18.4287765197926 0.309492872873397 . . 4 9 LYS N 18.176418133231 0.317832847477677 . . 5 10 THR N 17.7519864295295 0.318168852776457 . . 6 11 GLY N 16.6792511616681 0.52452909053214 . . 7 12 ARG N 18.0319874474286 0.745532521013937 . . 8 13 PHE N 18.4899163299853 0.323573535774743 . . 9 14 LEU N 16.9223237755315 0.399332996454993 . . 10 15 ALA N 17.5782210622315 0.42356481471553 . . 11 16 THR N 17.5175077855687 0.37622351471066 . . 12 17 GLU N 17.288751682282 0.305008157178819 . . 13 19 VAL N 16.8843022269162 0.462883145550908 . . 14 20 ASP N 18.4497246203328 0.44568999765338 . . 15 21 PHE N 18.3060577344503 0.717908666171939 . . 16 22 THR N 16.2464941487195 0.298236893088044 . . 17 23 GLN N 19.7864542962783 0.38092881811195 . . 18 24 ASP N 17.5033231809391 0.670342271183607 . . 19 25 ASP N 19.9255029281622 0.600853540798733 . . 20 26 LEU N 18.8751661816819 0.748645716264047 . . 21 27 ASP N 17.4422496706642 0.264093102263526 . . 22 28 GLU N 18.7374250798111 0.388220710228607 . . 23 29 ASN N 18.0982244574012 0.614127050512995 . . 24 30 ASP N 18.0653828478259 0.559665560625645 . . 25 31 VAL N 16.7239886953864 0.413199588696912 . . 26 32 TYR N 18.4383553783539 0.536390196311695 . . 27 33 LEU N 16.1928071065049 0.402294099754007 . . 28 34 LEU N 16.2230616466933 0.385054368184266 . . 29 35 ASP N 18.0966212630884 0.349156210650028 . . 30 36 THR N 16.7263199717579 0.376375652004497 . . 31 37 TRP N 17.0993187597207 0.393352728748616 . . 32 38 ASP N 17.9408246299104 0.646551438012711 . . 33 39 GLN N 14.6060894685786 0.715800626586632 . . 34 41 PHE N 16.6191085945571 0.408215164408105 . . 35 42 PHE N 15.1375431991423 0.317858132095591 . . 36 43 TRP N 15.8308267198076 0.459363098928657 . . 37 44 ILE N 15.6650872029193 0.416769645033667 . . 38 46 LYS N 18.0259721812382 0.422276424317685 . . 39 47 GLY N 14.5953272563548 0.361219754267524 . . 40 48 ALA N 18.6884407434023 0.825057281939723 . . 41 50 GLU N 18.7317766739891 0.300364038967415 . . 42 52 GLU N 21.6285881314031 0.734701510235632 . . 43 53 LYS N 19.8886387384302 0.757876467766623 . . 44 54 GLU N 21.1325160487723 0.897307763946922 . . 45 55 ALA N 21.2869421043709 0.897734209367634 . . 46 56 ALA N 19.6469390049383 0.795425972553933 . . 47 57 ALA N 19.4964028454376 0.896464099236067 . . 48 58 GLU N 19.1001400670572 0.904926436097034 . . 49 59 THR N 19.6401970885922 0.701567480201601 . . 50 64 LEU N 19.3475143648523 0.573982708662072 . . 51 65 ARG N 20.4989253950835 0.608777086383189 . . 52 66 SER N 19.7376799178344 0.544305999094119 . . 53 67 HIS N 24.3479064562199 0.454064107502045 . . 54 74 ASP N 18.0226464284603 0.348521936633565 . . 55 75 THR N 18.935161500454 0.561427538488461 . . 56 78 ILE N 13.855543022909 0.272316842572253 . . 57 79 VAL N 14.7883688296086 0.379218141897652 . . 58 80 VAL N 15.5678009802359 0.378017343402089 . . 59 81 LYS N 16.2327140060548 0.549039085826791 . . 60 82 GLN N 17.5641857260183 0.690360319961151 . . 61 83 GLY N 18.757616999323 0.326513839107215 . . 62 84 PHE N 2.73775985827559 0.10349827368225 . . 63 88 THR N 13.0591977875838 0.076161241497189 . . 64 89 PHE N 18.4151501882562 0.583723430667346 . . 65 90 THR N 14.5285171473332 0.397151544739501 . . 66 91 GLY N 15.4877605339461 0.494849436820112 . . 67 92 TRP N 18.407369707069 0.708499660025085 . . 68 93 PHE N 18.2414667832102 0.634401731786484 . . 69 94 MET N 15.4261556485221 0.35708465095199 . . 70 95 ALA N 16.368892772245 0.685234589231721 . . 71 97 ASP N 15.635068984426 0.327054373016222 . . 72 99 LEU N 17.1800409362579 0.764906962605012 . . 73 100 CYS N 19.366671121001 0.5095952172069 . . 74 101 TRP N 18.5648439925613 0.574322013753876 . . 75 102 SER N 14.59556030787 0.479464156113529 . . 76 105 LYS N 8.4598474616748 0.561412397251663 . . 77 106 SER N 8.87101123850672 0.19306868859486 . . 78 109 GLU N 7.54583804209348 0.776293180256451 . . 79 110 LEU N 7.28293004860759 0.94576857904223 . . 80 112 ALA N 6.50982476424051 0.549253444833265 . . 81 113 GLU N 5.76942945950531 0.86945301954745 . . 82 117 ASN N 9.2734650055319 0.98340459651163 . . 83 118 ALA N 3.78419255430901 0.336547164817472 . . 84 119 SER N 4.49514237833057 0.285383104173073 . . 85 120 ILE N 7.79213452590394 1.29934622432901 . . 86 121 GLY N 5.88969839979427 0.130185893429053 . . 87 125 SER N 5.47050686182634 0.0934362571999939 . . 88 126 GLY N 4.46281163166516 0.0442844798210134 . . 89 128 THR N 4.64569990137969 0.0690629747339105 . . 90 132 GLU N 4.56046267572095 0.178268485993932 . . 91 134 PHE N 4.67233572997368 0.169362825540086 . . 92 136 ALA N 4.36371631326645 0.056060663476534 . . 93 137 THR N 4.44618719173695 0.090782250080885 . . 94 138 THR N 4.50527746400022 0.0741793934447636 . . 95 143 THR N 5.63194002497506 1.00194465820316 . . 96 144 LYS N 5.91155134512799 0.610456349654642 . . 97 145 LEU N 6.92165681207314 1.08336388091206 . . 98 146 GLU N 7.88763688954384 0.14489588966092 . . 99 148 PHE N 2.64184066295998 0.184514077423114 . . 100 150 LEU N 12.9386350943269 0.56154970172888 . . 101 151 ASP N 16.6261614579175 0.780149374089863 . . 102 152 VAL N 17.1167358302611 0.6600384503507 . . 103 153 LEU N 15.9201802915842 0.450843585677372 . . 104 156 THR N 14.1175911199448 0.575418896457831 . . 105 157 ALA N 12.0032383296625 0.326031959510292 . . 106 158 ALA N 11.6032286633537 0.507211934561179 . . 107 159 GLU N 13.8757294939301 0.472995866989089 . . 108 160 ASP N 12.7881855989275 0.837805191328137 . . 109 161 LEU N 11.2140859505636 0.620284736183526 . . 110 163 ARG N 11.8246027817354 0.556383034688998 . . 111 164 GLY N 11.7688828665685 0.177168762673322 . . 112 165 VAL N 11.2622885646101 0.584129858692065 . . 113 166 ASP N 11.4252903463335 0.211242193213359 . . 114 168 SER N 12.7440244925877 0.748380094302723 . . 115 169 ARG N 13.0175904617095 0.427731987390849 . . 116 171 GLU N 14.6402250343134 0.285264784793596 . . 117 172 ASN N 12.0590149378998 0.759042636251162 . . 118 173 HIS N 12.9936000672549 0.397227347656049 . . 119 174 LEU N 13.0160685709401 0.404422266567679 . . 120 175 SER N 12.9035318282774 0.452268790581124 . . 121 176 ASP N 13.3159911191394 0.192003275946871 . . 122 177 GLU N 13.7318276768777 0.681538071258793 . . 123 178 ASP N 13.0490840906598 0.944962473509217 . . 124 179 PHE N 13.2999242782111 0.677019345458059 . . 125 180 LYS N 13.0210649319622 0.913453747107012 . . 126 181 ALA N 13.0957473171365 1.02281715271031 . . 127 183 PHE N 12.0552446534749 0.686618514483316 . . 128 185 MET N 11.838436360384 0.956048443591893 . . 129 186 THR N 10.8486534944196 0.715002205856715 . . 130 187 ARG N 12.467459152396 0.554340636292986 . . 131 188 SER N 11.8284162370468 0.182382349959024 . . 132 189 ALA N 12.8135673741665 0.855664402112091 . . 133 191 ALA N 12.1493941504142 0.938091170535931 . . 134 193 LEU N 12.5316216675348 0.934595812343076 . . 135 195 LEU N 10.4419699528138 0.0975593252691392 . . 136 196 TRP N 12.8751263001608 0.70205488689517 . . 137 197 LYS N 11.641792928314 0.679473244261044 . . 138 198 GLN N 11.9798783088753 0.818225688496185 . . 139 200 ASN N 13.1027047651393 0.968735374105806 . . 140 202 LYS N 12.0655894612964 0.726360551159505 . . 141 203 LYS N 12.7780991966652 0.556856784891472 . . 142 204 GLU N 10.9777186561762 1.41914457927718 . . 143 205 LYS N 10.460812822312 0.882045276364528 . . 144 206 GLY N 10.4337223247602 0.666047098323393 . . stop_ save_ save_heteronuclear_NOE _Saveframe_category heteronuclear_NOE _Details . loop_ _Software_label $NMRView stop_ loop_ _Experiment_label '1H,15N NOE' stop_ loop_ _Sample_label . stop_ _Sample_conditions_label $sample_conditions_1 _Spectrometer_frequency_1H 750 _Mol_system_component_name D6-HP _Atom_one_atom_name N _Atom_two_atom_name H _Heteronuclear_NOE_value_type 'peak height' _NOE_reference_value 1 _NOE_reference_description 'NOE value here is a ratio of NOE signal with presat over NOE w/out presat' _Text_data_format . _Text_data . loop_ _Residue_seq_code _Residue_label _Heteronuclear_NOE_value _Heteronuclear_NOE_value_error 6 CYS 0.898734177215 0.0632911392406 7 SER 0.933808251707 0.0296823983378 8 ASN 0.951848249027 0.0486381322958 9 LYS 0.844080846968 0.0481231953802 10 THR 0.856840321898 0.0423549343498 11 GLY 0.794134078212 0.0279329608938 12 ARG 0.822930618805 0.026788106081 13 PHE 0.885426214482 0.0458295142072 14 LEU 0.986161986162 0.0407000407 15 ALA 0.751975912683 0.0376364320662 16 THR 0.81708652793 0.0547645125958 17 GLU 0.851604278075 0.0445632798574 19 VAL 0.834882058613 0.035739814153 20 ASP 0.712888132709 0.0425350914504 21 PHE 0.904229290458 0.0349528137016 22 THR 0.847890088322 0.0490677134446 23 GLN 0.918225315355 0.0434971726838 24 ASP 0.817943489659 0.0291290416546 25 ASP 0.863907400912 0.035075412136 26 LEU 0.911463187325 0.031065548307 27 ASP 0.736282194849 0.0559910414334 28 GLU 0.940217391304 0.0452898550724 29 ASN 0.876523412444 0.0320718409236 30 ASP 0.971114167813 0.0343878954608 31 VAL 0.90585618977 0.0370644922164 32 TYR 0.824352694192 0.034989503149 33 LEU 0.785614849188 0.046403712297 34 LEU 0.820923306031 0.0372300819062 35 ASP 0.876923076923 0.0496277915632 36 THR 0.833251593919 0.0490436488474 37 TRP 0.810990052108 0.0473709142586 38 ASP 0.935546875 0.0325520833334 39 GLN 0.898985130989 0.0236016049092 41 PHE 0.86575562701 0.040192926045 42 PHE 0.852706672262 0.0419639110366 43 TRP 0.945330296128 0.0379650721336 44 ILE 0.892608089261 0.0348675034868 46 LYS 0.755601659751 0.0414937759336 47 GLY 0.888065233506 0.0370644922164 48 ALA 0.66674578685 0.0237360550676 50 GLU 0.780853517878 0.0576701268742 52 GLU 0.781818181818 0.0318979266348 53 LYS 0.809667673716 0.0302114803626 54 GLU 0.943440923897 0.0296120817294 55 ALA 0.753892215569 0.0299401197604 56 ALA 1.0602060528 0.032195750161 57 ALA 0.812428734322 0.0285062713798 58 GLU 0.78097475044 0.029359953024 59 THR 0.88632196553 0.0366703337 64 LEU 0.817858553931 0.0395100750692 65 ARG 0.926068540624 0.0385059684252 66 SER 0.868541033435 0.0379939209726 67 HIS 0.703571428571 0.0510204081632 74 ASP 0.782584269663 0.0561797752808 75 THR 0.830117290957 0.0378357926598 78 ILE 0.909138655462 0.0525210084034 79 VAL 0.784376104631 0.0353481795688 80 VAL 0.800984817398 0.0410340582684 81 LYS 0.921518987342 0.0316455696202 82 GLN 0.863055181696 0.0336473755048 83 GLY 0.96257915947 0.0575705238918 84 PHE 0.398576512456 0.35587188612 88 THR 0.90248075278 0.0855431993156 89 PHE 0.86217835742 0.0352485019386 90 THR 0.829449510301 0.033772374198 91 GLY 0.945008008542 0.0266951414842 92 TRP 0.910539215686 0.030637254902 93 PHE 0.842515303283 0.0278241513634 94 MET 0.631194775259 0.0384172109104 95 ALA 0.66524419156 0.0237079184448 97 ASP 0.770566727605 0.0457038391224 99 LEU 0.849639249639 0.02886002886 100 CYS 0.912039093736 0.0444247001332 101 TRP 0.877494838266 0.034411562285 102 SER 0.730340463995 0.0301295570956 105 LYS 0.499308437068 0.027662517289 106 SER 0.71725440806 0.0629722921914 109 GLU 0.239439853076 0.0229568411386 110 LEU 0.567287346593 0.0211595429538 112 ALA 0.823433685924 0.0406834825062 113 GLU 0.0645514223195 0.027352297593 117 ASN 0.632762074338 0.0222568439796 118 ALA -0.480257856567 0.0805801772764 119 SER -0.0390544707091 0.1027749229188 120 ILE 0.553968625615 0.0234137204402 121 GLY 0.381578947368 0.1315789473684 125 SER 0.478589420655 0.251889168766 126 GLY -0.266393442623 0.409836065574 128 THR 0.122549019608 0.245098039216 132 GLU 0.401960784314 0.1225490196078 134 PHE 0.485819975339 0.1233045622688 136 ALA 0.393700787402 0.262467191602 137 THR 0.332627118644 0.21186440678 138 THR 0.359420289855 0.289855072464 143 THR 0.25792218211 0.0200561572402 144 LYS 0.428160092139 0.0287935502448 145 LEU 0.391385450229 0.0169577751399 146 GLU 0.553413654618 0.0803212851406 148 PHE 0.366024518389 0.1751313485114 150 LEU 0.918175235337 0.0241370987208 151 ASP 0.5317970308 0.0221582096166 152 VAL 0.995839524517 0.0297176820208 153 LEU 0.873861566485 0.0455373406194 156 THR 0.573123620309 0.0275938189846 157 ALA 0.550871080139 0.034843205575 158 ALA 0.875223613596 0.0223613595706 159 GLU 0.89424440034 0.0283527076836 160 ASP 0.869665755728 0.0210216523018 161 LEU 0.607894736842 0.023923444976 163 ARG 0.672931602403 0.01937608990506 164 GLY 0.782246879334 0.046232085067 165 VAL 0.695320447609 0.0254323499492 166 ASP 0.964959568733 0.0539083557952 168 SER 1.03354117394 0.0215007525264 169 ARG 0.717280453258 0.028328611898 171 GLU 0.883720930233 0.0596302921884 172 ASN 0.757976653696 0.01945525291828 173 HIS 0.803884711779 0.031328320802 174 LEU 0.764380059651 0.04260758415 175 SER 0.824707846411 0.0238492725972 176 ASP 0.878865979381 0.0429553264604 177 GLU 0.997311311696 0.01920491645862 178 ASP 0.816536118364 0.01740644038294 179 PHE 0.757283390087 0.01891789632992 180 LYS 0.661028416779 0.0169147496617 181 ALA 1.11074626866 0.01492537313432 183 PHE 0.899678821084 0.01889287738522 185 MET 1.07360552041 0.01437607820586 186 THR 0.657075945132 0.01672800267648 187 ARG 0.780180558472 0.0209951711106 188 SER 0.847314691522 0.0443852640924 189 ALA 0.996438640748 0.01483899688382 191 ALA 0.82089326268 0.01514004542014 193 LEU 0.695249477144 0.0149387511204 195 LEU 0.882005899705 0.0737463126844 196 TRP 0.708346506481 0.0158077774265 197 LYS 0.672258520219 0.017658484902 198 GLN 0.97775564409 0.01660026560424 200 ASN 0.818154628383 0.0149543891132 202 LYS 0.832174068129 0.01783484929552 203 LYS 0.8885476086 0.021939447126 204 GLU 0.94242132747 0.01374192661812 205 LYS 0.862719583604 0.01626545217958 206 GLY 0.750898818695 0.0171203561034 stop_ save_ save_order_param_list_1 _Saveframe_category S2_parameters _Details . _Sample_conditions_label $sample_conditions_1 _Mol_system_component_name D6-HP _Tau_e_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 6 CYS N . 0.646000000000000 0.015000000000000 . . . . . . . . . . . . 9 LYS N . 0.726000000000000 0.013000000000000 . . . . . . . . . . . . 10 THR N . 0.796000000000000 0.030000000000000 . . . . . . . . . . . . 11 GLY N . 0.739000000000000 0.028000000000000 . . . . . . . . . . . . 12 ARG N . 0.674000000000000 0.045000000000000 . . . . . . . . . . . . 13 PHE N . 0.737000000000000 0.037000000000000 . . . . . . . . . . . . 16 THR N . 0.583000000000000 0.019000000000000 . . . . . . . . . . . . 17 GLU N . 0.732000000000000 0.029000000000000 . . . . . . . . . . . . 19 VAL N . 0.625000000000000 0.032000000000000 . . . . . . . . . . . . 20 ASP N . 0.584000000000000 0.027000000000000 . . . . . . . . . . . . 22 THR N . 0.703000000000000 0.018000000000000 . . . . . . . . . . . . 23 GLN N . 0.705000000000000 0.025000000000000 . . . . . . . . . . . . 24 ASP N . 0.779000000000000 0.034000000000000 . . . . . . . . . . . . 25 ASP N . 0.704000000000000 0.030000000000000 . . . . . . . . . . . . 26 LEU N . 0.635000000000000 0.035000000000000 . . . . . . . . . . . . 27 ASP N . 0.565000000000000 0.014000000000000 . . . . . . . . . . . . 29 ASN N . 0.727000000000000 0.028000000000000 . . . . . . . . . . . . 31 VAL N . 0.684000000000000 0.023000000000000 . . . . . . . . . . . . 32 TYR N . 0.678000000000000 0.023000000000000 . . . . . . . . . . . . 33 LEU N . 0.638000000000000 0.018000000000000 . . . . . . . . . . . . 34 LEU N . 0.693000000000000 0.024000000000000 . . . . . . . . . . . . 35 ASP N . 0.702000000000000 0.018000000000000 . . . . . . . . . . . . 36 THR N . 0.661000000000000 0.022000000000000 . . . . . . . . . . . . 37 TRP N . 0.712000000000000 0.022000000000000 . . . . . . . . . . . . 41 PHE N . 0.675000000000000 0.019000000000000 . . . . . . . . . . . . 42 PHE N . 0.669000000000000 0.019000000000000 . . . . . . . . . . . . 44 ILE N . 0.663000000000000 0.027000000000000 . . . . . . . . . . . . 47 GLY N . 0.701000000000000 0.022000000000000 . . . . . . . . . . . . 48 ALA N . 0.709000000000000 0.035000000000000 . . . . . . . . . . . . 50 GLU N . 0.725000000000000 0.027000000000000 . . . . . . . . . . . . 52 GLU N . 0.655000000000000 0.035000000000000 . . . . . . . . . . . . 53 LYS N . 0.641000000000000 0.029000000000000 . . . . . . . . . . . . 57 ALA N . 0.661000000000000 0.044000000000000 . . . . . . . . . . . . 58 GLU N . 0.605000000000000 0.047000000000000 . . . . . . . . . . . . 59 THR N . 0.623000000000000 0.032000000000000 . . . . . . . . . . . . 64 LEU N . 0.697000000000000 0.022000000000000 . . . . . . . . . . . . 66 SER N . 0.660000000000000 0.029000000000000 . . . . . . . . . . . . 67 HIS N . 0.802000000000000 0.020000000000000 . . . . . . . . . . . . 74 ASP N . 0.713000000000000 0.019000000000000 . . . . . . . . . . . . 75 THR N . 0.633000000000000 0.030000000000000 . . . . . . . . . . . . 78 ILE N . 0.627000000000000 0.021000000000000 . . . . . . . . . . . . 79 VAL N . 0.610000000000000 0.028000000000000 . . . . . . . . . . . . 80 VAL N . 0.653000000000000 0.024000000000000 . . . . . . . . . . . . 82 GLN N . 0.625000000000000 0.028000000000000 . . . . . . . . . . . . 83 GLY N . 0.659000000000000 0.013000000000000 . . . . . . . . . . . . 88 THR N . 0.856000000000000 0.018000000000000 . . . . . . . . . . . . 89 PHE N . 0.631000000000000 0.024000000000000 . . . . . . . . . . . . 90 THR N . 0.688000000000000 0.026000000000000 . . . . . . . . . . . . 93 PHE N . 0.680000000000000 0.030000000000000 . . . . . . . . . . . . 94 MET N . 0.656000000000000 0.034000000000000 . . . . . . . . . . . . 95 ALA N . 0.671000000000000 0.044000000000000 . . . . . . . . . . . . 97 ASP N . 0.609000000000000 0.025000000000000 . . . . . . . . . . . . 99 LEU N . 0.665000000000000 0.032000000000000 . . . . . . . . . . . . 100 CYS N . 0.668000000000000 0.020000000000000 . . . . . . . . . . . . 101 TRP N . 0.765000000000000 0.032000000000000 . . . . . . . . . . . . 102 SER N . 0.829000000000000 0.049000000000000 . . . . . . . . . . . . 105 LYS N . 0.695000000000000 0.064000000000000 . . . . . . . . . . . . 106 SER N . 0.740000000000000 0.022000000000000 . . . . . . . . . . . . 109 GLU N . 0.553000000000000 0.082000000000000 . . . . . . . . . . . . 110 LEU N . 0.660000000000000 0.069000000000000 . . . . . . . . . . . . 113 GLU N . 0.398000000000000 0.085000000000000 . . . . . . . . . . . . 117 ASN N . 0.871000000000000 0.022000000000000 . . . . . . . . . . . . 118 ALA N . 0.219000000000000 0.034000000000000 . . . . . . . . . . . . 119 SER N . 0.277000000000000 0.031000000000000 . . . . . . . . . . . . 120 ILE N . 0.747000000000000 0.061000000000000 . . . . . . . . . . . . 121 GLY N . 0.433000000000000 0.015000000000000 . . . . . . . . . . . . 125 SER N . 0.435000000000000 0.014000000000000 . . . . . . . . . . . . 126 GLY N . 0.299000000000000 0.005000000000000 . . . . . . . . . . . . 128 THR N . 0.284000000000000 0.008000000000000 . . . . . . . . . . . . 132 GLU N . 0.262000000000000 0.021000000000000 . . . . . . . . . . . . 134 PHE N . 0.274000000000000 0.045000000000000 . . . . . . . . . . . . 136 ALA N . 0.263000000000000 0.007000000000000 . . . . . . . . . . . . 137 THR N . 0.277000000000000 0.010000000000000 . . . . . . . . . . . . 138 THR N . 0.285000000000000 0.010000000000000 . . . . . . . . . . . . 143 THR N . 0.416000000000000 0.119000000000000 . . . . . . . . . . . . 144 LYS N . 0.442000000000000 0.070000000000000 . . . . . . . . . . . . 145 LEU N . 0.578000000000000 0.097000000000000 . . . . . . . . . . . . 151 ASP N . 0.845000000000000 0.024000000000000 . . . . . . . . . . . . 153 LEU N . 0.975000000000000 0.010000000000000 . . . . . . . . . . . . 156 THR N . 0.842000000000000 0.023000000000000 . . . . . . . . . . . . 157 ALA N . 0.864000000000000 0.023000000000000 . . . . . . . . . . . . 158 ALA N . 1.000000000000000 0.018000000000000 . . . . . . . . . . . . 159 GLU N . 0.945000000000000 0.022000000000000 . . . . . . . . . . . . 160 ASP N . 0.953000000000000 0.025000000000000 . . . . . . . . . . . . 161 LEU N . 0.888000000000000 0.015000000000000 . . . . . . . . . . . . 163 ARG N . 0.892000000000000 0.039000000000000 . . . . . . . . . . . . 164 GLY N . 1.000000000000000 0.009000000000000 . . . . . . . . . . . . 165 VAL N . 0.871000000000000 0.018000000000000 . . . . . . . . . . . . 166 ASP N . 0.965000000000000 0.009000000000000 . . . . . . . . . . . . 171 GLU N . 0.995000000000000 0.009000000000000 . . . . . . . . . . . . 172 ASN N . 0.874000000000000 0.042000000000000 . . . . . . . . . . . . 173 HIS N . 0.981000000000000 0.024000000000000 . . . . . . . . . . . . 174 LEU N . 0.942000000000000 0.009000000000000 . . . . . . . . . . . . 175 SER N . 1.000000000000000 0.022000000000000 . . . . . . . . . . . . 178 ASP N . 1.000000000000000 0.020000000000000 . . . . . . . . . . . . 183 PHE N . 0.942000000000000 0.028000000000000 . . . . . . . . . . . . 186 THR N . 0.899000000000000 0.020000000000000 . . . . . . . . . . . . 187 ARG N . 1.000000000000000 0.018000000000000 . . . . . . . . . . . . 191 ALA N . 1.000000000000000 0.022000000000000 . . . . . . . . . . . . 193 LEU N . 0.880000000000000 0.021000000000000 . . . . . . . . . . . . 196 TRP N . 0.815000000000000 0.063000000000000 . . . . . . . . . . . . 197 LYS N . 0.871000000000000 0.032000000000000 . . . . . . . . . . . . 200 ASN N . 0.995000000000000 0.020000000000000 . . . . . . . . . . . . 202 LYS N . 0.974000000000000 0.024000000000000 . . . . . . . . . . . . 203 LYS N . 0.980000000000000 0.017000000000000 . . . . . . . . . . . . 205 LYS N . 0.930000000000000 0.030000000000000 . . . . . . . . . . . . 206 GLY N . 0.927000000000000 0.023000000000000 . . . . . . . . . . . . stop_ _Tau_s_value_units . save_