data_25193 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR resonance assignment of the lantibiotic immunity protein NisI ; _BMRB_accession_number 25193 _BMRB_flat_file_name bmr25193.str _Entry_type original _Submission_date 2014-09-02 _Accession_date 2014-09-02 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hacker Carolin . . 2 Christ 'Nina Alexandra' . . 3 Duchardt-Ferner Elke . . 4 Bernigner Lucija . . 5 Koetter Peter . . 6 Entian Karl-Dieter . . 7 Woehnert Jens . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 217 "13C chemical shifts" 641 "15N chemical shifts" 217 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2015-10-01 original BMRB 'update entry citation' 2015-04-27 original BMRB 'original release' stop_ loop_ _Related_BMRB_accession_number _Relationship 25175 'N-terminal domain of the lantibiotic immunity protein NisI' 25194 'C-terminal domain of the lantibiotic immunity protein NisI' stop_ _Original_release_date 2015-04-27 save_ ############################# # Citation for this entry # ############################# save_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; NMR resonance assignments of the lantibiotic immunity protein NisI from Lactococcus lactis ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 25613223 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Hacker Carolin . . 2 Christ 'Nina Alexandra' . . 3 Duchardt-Ferner Elke . . 4 Bernigner Lucija . . 5 Koetter Peter . . 6 Entian Karl-Dieter . . 7 Woehnert Jens . . stop_ _Journal_abbreviation 'Biomol NMR Assign.' _Journal_volume 9 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 293 _Page_last 297 _Year 2015 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name NisI _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label NisI $NisI stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state ? _System_paramagnetic no _System_thiol_state . _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_NisI _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common NisI _Molecular_mass 25836.6 _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 227 _Mol_residue_sequence ; GSYQTSHKKVRFDEGSYTNF IYDNKSYFVTDKEIPQENVN NSKVKFYKLLIVDMKSEKLL SSSNKNSVTLVLNNIYEASD KSLCMGINDRYYKILPESDK GAVKALRLQNFDVTSDISDD NFVIDKNDSRKIDYMGNIYS ISDTTVSDEELGEYQDVLAE VRVFDSVSGKSIPRSEWGRI DKDGSNSKQSRTEWDYGEIH SIRGKSLTEAFAVEINDDFK LATKVGN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 0 GLY 2 1 SER 3 2 TYR 4 3 GLN 5 4 THR 6 5 SER 7 6 HIS 8 7 LYS 9 8 LYS 10 9 VAL 11 10 ARG 12 11 PHE 13 12 ASP 14 13 GLU 15 14 GLY 16 15 SER 17 16 TYR 18 17 THR 19 18 ASN 20 19 PHE 21 20 ILE 22 21 TYR 23 22 ASP 24 23 ASN 25 24 LYS 26 25 SER 27 26 TYR 28 27 PHE 29 28 VAL 30 29 THR 31 30 ASP 32 31 LYS 33 32 GLU 34 33 ILE 35 34 PRO 36 35 GLN 37 36 GLU 38 37 ASN 39 38 VAL 40 39 ASN 41 40 ASN 42 41 SER 43 42 LYS 44 43 VAL 45 44 LYS 46 45 PHE 47 46 TYR 48 47 LYS 49 48 LEU 50 49 LEU 51 50 ILE 52 51 VAL 53 52 ASP 54 53 MET 55 54 LYS 56 55 SER 57 56 GLU 58 57 LYS 59 58 LEU 60 59 LEU 61 60 SER 62 61 SER 63 62 SER 64 63 ASN 65 64 LYS 66 65 ASN 67 66 SER 68 67 VAL 69 68 THR 70 69 LEU 71 70 VAL 72 71 LEU 73 72 ASN 74 73 ASN 75 74 ILE 76 75 TYR 77 76 GLU 78 77 ALA 79 78 SER 80 79 ASP 81 80 LYS 82 81 SER 83 82 LEU 84 83 CYS 85 84 MET 86 85 GLY 87 86 ILE 88 87 ASN 89 88 ASP 90 89 ARG 91 90 TYR 92 91 TYR 93 92 LYS 94 93 ILE 95 94 LEU 96 95 PRO 97 96 GLU 98 97 SER 99 98 ASP 100 99 LYS 101 100 GLY 102 101 ALA 103 102 VAL 104 103 LYS 105 104 ALA 106 105 LEU 107 106 ARG 108 107 LEU 109 108 GLN 110 109 ASN 111 110 PHE 112 111 ASP 113 112 VAL 114 113 THR 115 114 SER 116 115 ASP 117 116 ILE 118 117 SER 119 118 ASP 120 119 ASP 121 120 ASN 122 121 PHE 123 122 VAL 124 123 ILE 125 124 ASP 126 125 LYS 127 126 ASN 128 127 ASP 129 128 SER 130 129 ARG 131 130 LYS 132 131 ILE 133 132 ASP 134 133 TYR 135 134 MET 136 135 GLY 137 136 ASN 138 137 ILE 139 138 TYR 140 139 SER 141 140 ILE 142 141 SER 143 142 ASP 144 143 THR 145 144 THR 146 145 VAL 147 146 SER 148 147 ASP 149 148 GLU 150 149 GLU 151 150 LEU 152 151 GLY 153 152 GLU 154 153 TYR 155 154 GLN 156 155 ASP 157 156 VAL 158 157 LEU 159 158 ALA 160 159 GLU 161 160 VAL 162 161 ARG 163 162 VAL 164 163 PHE 165 164 ASP 166 165 SER 167 166 VAL 168 167 SER 169 168 GLY 170 169 LYS 171 170 SER 172 171 ILE 173 172 PRO 174 173 ARG 175 174 SER 176 175 GLU 177 176 TRP 178 177 GLY 179 178 ARG 180 179 ILE 181 180 ASP 182 181 LYS 183 182 ASP 184 183 GLY 185 184 SER 186 185 ASN 187 186 SER 188 187 LYS 189 188 GLN 190 189 SER 191 190 ARG 192 191 THR 193 192 GLU 194 193 TRP 195 194 ASP 196 195 TYR 197 196 GLY 198 197 GLU 199 198 ILE 200 199 HIS 201 200 SER 202 201 ILE 203 202 ARG 204 203 GLY 205 204 LYS 206 205 SER 207 206 LEU 208 207 THR 209 208 GLU 210 209 ALA 211 210 PHE 212 211 ALA 213 212 VAL 214 213 GLU 215 214 ILE 216 215 ASN 217 216 ASP 218 217 ASP 219 218 PHE 220 219 LYS 221 220 LEU 222 221 ALA 223 222 THR 224 223 LYS 225 224 VAL 226 225 GLY 227 226 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-11-25 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 25194 NisI 57.27 130 100.00 100.00 2.31e-85 DBJ BAL50562 "encodes a protein involved in immunity against nisin [Lactococcus lactis subsp. lactis IO-1]" 100.00 245 99.12 99.12 1.30e-159 EMBL CAA54209 "nisI [Lactococcus lactis]" 100.00 245 99.56 99.56 4.65e-160 EMBL CAA79465 "NisI protein [Lactococcus lactis]" 100.00 245 97.80 97.80 6.07e-157 GB AAA25193 "encodes a protein involved in immunity against nisin [Lactococcus lactis]" 100.00 245 99.56 99.56 4.65e-160 GB AAQ89591 "nisin immunity protein [Lactococcus lactis subsp. lactis]" 100.00 245 99.56 99.56 4.08e-160 GB AAQ89592 "nisin immunity protein [Lactococcus lactis subsp. lactis]" 100.00 245 99.56 99.56 4.08e-160 GB ACM62695 "nisI [Shuttle vector pMSP3535H3]" 100.00 245 97.80 97.80 6.07e-157 GB ADJ56356 "NisI [Lactococcus lactis subsp. lactis]" 100.00 245 99.56 99.56 4.65e-160 REF WP_014570409 "nisin immunity protein [Lactococcus lactis]" 100.00 245 99.56 99.56 4.65e-160 REF WP_015425983 "encodes a protein involved in immunity against nisin [Lactococcus lactis]" 100.00 245 99.12 99.12 1.30e-159 REF WP_017864237 "Nisin immunity protein [Lactococcus lactis]" 100.00 245 97.80 97.80 6.07e-157 REF WP_039114828 "immunity protein [Lactococcus lactis]" 100.00 245 98.24 98.68 1.90e-158 REF WP_042748180 "immunity protein [Lactococcus lactis]" 100.00 245 97.80 98.68 9.06e-158 SP P42708 "RecName: Full=Nisin immunity protein; Flags: Precursor [Lactococcus lactis subsp. lactis]" 100.00 245 99.56 99.56 4.65e-160 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $NisI firmicutes 1358 Bacteria . Lactococcus lactis 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 $NisI 'recombinant technology' . Escherichia coli . pQE9-His6-TEV stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_15N _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 200 uM 'natural abundance' DTT 1 mM 'natural abundance' DSS 30 uM 'natural abundance' $NisI 400 mM [U-15N] H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_2H15N13C _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 200 uM 'natural abundance' DTT 1 mM 'natural abundance' DSS 30 uM 'natural abundance' $NisI 400 uM '[U-13C; U-15N; U-2H]' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_13CTyr-15NLys _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 200 uM 'natural abundance' DTT 1 mM 'natural abundance' DSS 30 uM 'natural abundance' $NisI 400 uM '[13C]-Tyr, [15N]-Lys' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_13CThr-15NLys _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 200 uM 'natural abundance' DTT 1 mM 'natural abundance' DSS 30 uM 'natural abundance' $NisI 400 uM '[13C]-Thr, [15N]-Lys' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_15NTyr _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 200 uM 'natural abundance' DTT 1 mM 'natural abundance' DSS 30 uM 'natural abundance' $NisI 200 uM [15N]-Tyr H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_13CHis-15NLys _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 200 uM 'natural abundance' DTT 1 mM 'natural abundance' DSS 30 uM 'natural abundance' $NisI 300 uM '[13C]-His, [15N]-Lys' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_13CPRro-15NArg _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 200 uM 'natural abundance' DTT 1 mM 'natural abundance' DSS 30 uM 'natural abundance' $NisI 100 uM '[13C]-Pro, [15N]-Arg' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_15NPhe _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling 'sodium phosphate' 50 mM 'natural abundance' 'sodium chloride' 100 mM 'natural abundance' EDTA 200 uM 'natural abundance' DTT 1 mM 'natural abundance' DSS 30 uM 'natural abundance' $NisI 500 uM [15N]-Phe H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CCPN_Analysis _Saveframe_category software _Name CCPN_Analysis _Version . loop_ _Vendor _Address _Electronic_address CCPN . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version . loop_ _Vendor _Address _Electronic_address 'Keller and Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'data analysis' stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version . loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection 'data analysis' processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details . save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 700 _Details . save_ save_spectrometer_3 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details . save_ save_spectrometer_4 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 950 _Details . save_ save_spectrometer_5 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 900 _Details . save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15N save_ save_3D_HNCA_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCA' _Sample_label $2H15N13C save_ save_3D_HNCACB_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $2H15N13C save_ save_3D_HNCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $2H15N13C save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $2H15N13C save_ save_3D_HN(CO)CA_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CO)CA' _Sample_label $2H15N13C save_ save_2D_1H-15N_HSQC_7 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $13CTyr-15NLys save_ save_2D_HNCO_8 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNCO' _Sample_label $13CTyr-15NLys save_ save_2D_1H-15N_HSQC_9 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $13CThr-15NLys save_ save_2D_HNCO_10 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNCO' _Sample_label $13CThr-15NLys save_ save_2D_1H-15N_HSQC_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15NTyr save_ save_2D_1H-15N_HSQC_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $13CHis-15NLys save_ save_2D_HNCO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNCO' _Sample_label $13CHis-15NLys save_ save_2D_1H-15N_HSQC_14 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $13CPRro-15NArg save_ save_2D_HNCO_15 _Saveframe_category NMR_applied_experiment _Experiment_name '2D HNCO' _Sample_label $13CPRro-15NArg save_ save_2D_1H-15N_HSQC_16 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $15NPhe save_ ####################### # Sample conditions # ####################### save_sample_conditions_01 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 100 . mM pH 6.5 . 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 DSS C 13 'methyl protons' ppm 0.00 na indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 na indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCA' '3D HNCACB' '3D HNCACO' '3D HNCO' '3D HN(CO)CA' stop_ loop_ _Sample_label $15N $2H15N13C stop_ _Sample_conditions_label $sample_conditions_01 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name NisI _Text_data_format . _Text_data . loop_ _Atom_shift_assign_ID _Residue_author_seq_code _Residue_seq_code _Residue_label _Atom_name _Atom_type _Chem_shift_value _Chem_shift_value_error _Chem_shift_ambiguity_code 1 2 3 TYR H H 8.470 0.000 1 2 2 3 TYR C C 175.927 0.000 1 3 2 3 TYR CA C 58.078 0.005 1 4 2 3 TYR CB C 37.917 0.012 1 5 2 3 TYR N N 122.483 0.016 1 6 3 4 GLN H H 8.365 0.001 1 7 3 4 GLN C C 175.979 0.012 1 8 3 4 GLN CA C 55.601 0.016 1 9 3 4 GLN CB C 28.847 0.020 1 10 3 4 GLN N N 121.990 0.017 1 11 4 5 THR H H 8.170 0.000 1 12 4 5 THR C C 174.707 0.000 1 13 4 5 THR CA C 61.662 0.004 1 14 4 5 THR CB C 69.188 0.011 1 15 4 5 THR N N 114.774 0.007 1 16 5 6 SER H H 8.318 0.001 1 17 5 6 SER C C 174.688 0.000 1 18 5 6 SER CA C 58.177 0.000 1 19 5 6 SER CB C 63.266 0.000 1 20 5 6 SER N N 117.380 0.005 1 21 7 8 LYS H H 8.308 0.000 1 22 7 8 LYS C C 176.147 0.000 1 23 7 8 LYS CA C 55.895 0.000 1 24 7 8 LYS CB C 31.988 0.018 1 25 7 8 LYS N N 121.511 0.010 1 26 8 9 LYS H H 8.410 0.000 1 27 8 9 LYS C C 176.029 0.000 1 28 8 9 LYS CA C 56.264 0.032 1 29 8 9 LYS CB C 33.620 0.032 1 30 8 9 LYS N N 120.475 0.002 1 31 9 10 VAL H H 8.114 0.001 1 32 9 10 VAL C C 175.799 0.000 1 33 9 10 VAL CA C 61.015 0.004 1 34 9 10 VAL CB C 32.382 0.000 1 35 9 10 VAL N N 121.015 0.009 1 36 10 11 ARG H H 8.541 0.000 1 37 10 11 ARG C C 176.018 0.000 1 38 10 11 ARG CA C 53.655 0.047 1 39 10 11 ARG CB C 32.227 0.055 1 40 10 11 ARG N N 125.539 0.001 1 41 11 12 PHE H H 9.619 0.002 1 42 11 12 PHE C C 176.176 0.041 1 43 11 12 PHE CA C 58.614 0.013 1 44 11 12 PHE CB C 39.682 0.001 1 45 11 12 PHE N N 129.159 0.004 1 46 12 13 ASP H H 8.729 0.001 1 47 12 13 ASP C C 176.893 0.000 1 48 12 13 ASP CA C 54.006 0.000 1 49 12 13 ASP CB C 40.352 0.000 1 50 12 13 ASP N N 123.521 0.007 1 51 13 14 GLU H H 8.725 0.000 1 52 13 14 GLU C C 178.311 0.000 1 53 13 14 GLU CA C 57.196 0.020 1 54 13 14 GLU CB C 28.724 0.025 1 55 13 14 GLU N N 123.505 0.002 1 56 14 15 GLY H H 9.225 0.004 1 57 14 15 GLY C C 173.218 0.000 1 58 14 15 GLY CA C 45.774 0.000 1 59 14 15 GLY N N 112.513 0.013 1 60 15 16 SER H H 7.863 0.000 1 61 15 16 SER C C 174.009 0.014 1 62 15 16 SER CA C 56.296 0.069 1 63 15 16 SER CB C 66.225 0.011 1 64 15 16 SER N N 113.738 0.004 1 65 16 17 TYR H H 8.175 0.003 1 66 16 17 TYR C C 171.494 0.003 1 67 16 17 TYR CA C 55.917 0.118 1 68 16 17 TYR CB C 38.216 0.000 1 69 16 17 TYR N N 119.823 0.003 1 70 17 18 THR H H 7.727 0.001 1 71 17 18 THR C C 174.637 0.000 1 72 17 18 THR CA C 61.827 0.000 1 73 17 18 THR CB C 71.309 0.008 1 74 17 18 THR N N 103.260 0.015 1 75 18 19 ASN H H 8.349 0.001 1 76 18 19 ASN C C 173.549 0.000 1 77 18 19 ASN CA C 52.572 0.011 1 78 18 19 ASN CB C 38.857 0.007 1 79 18 19 ASN N N 121.362 0.006 1 80 19 20 PHE H H 8.273 0.000 1 81 19 20 PHE C C 171.715 0.014 1 82 19 20 PHE CA C 54.756 0.012 1 83 19 20 PHE CB C 40.144 0.001 1 84 19 20 PHE N N 117.446 0.004 1 85 20 21 ILE H H 8.722 0.002 1 86 20 21 ILE C C 175.652 0.003 1 87 20 21 ILE CA C 58.565 0.010 1 88 20 21 ILE CB C 39.176 0.006 1 89 20 21 ILE N N 119.064 0.011 1 90 21 22 TYR H H 9.047 0.001 1 91 21 22 TYR C C 174.851 0.000 1 92 21 22 TYR CA C 55.397 0.012 1 93 21 22 TYR CB C 40.232 0.004 1 94 21 22 TYR N N 126.656 0.003 1 95 22 23 ASP H H 8.773 0.001 1 96 22 23 ASP C C 174.988 0.020 1 97 22 23 ASP CA C 54.476 0.000 1 98 22 23 ASP CB C 38.725 0.009 1 99 22 23 ASP N N 130.416 0.003 1 100 23 24 ASN H H 8.533 0.000 1 101 23 24 ASN C C 173.737 0.000 1 102 23 24 ASN CA C 54.637 0.018 1 103 23 24 ASN CB C 37.510 0.009 1 104 23 24 ASN N N 107.654 0.008 1 105 24 25 LYS H H 7.793 0.000 1 106 24 25 LYS C C 174.400 0.000 1 107 24 25 LYS CA C 54.788 0.003 1 108 24 25 LYS CB C 34.725 0.001 1 109 24 25 LYS N N 120.080 0.008 1 110 25 26 SER H H 8.247 0.000 1 111 25 26 SER C C 174.372 0.023 1 112 25 26 SER CA C 58.444 0.006 1 113 25 26 SER CB C 62.835 0.005 1 114 25 26 SER N N 116.548 0.003 1 115 26 27 TYR H H 9.109 0.000 1 116 26 27 TYR C C 174.732 0.010 1 117 26 27 TYR CA C 56.623 0.000 1 118 26 27 TYR CB C 45.196 0.008 1 119 26 27 TYR N N 128.030 0.001 1 120 27 28 PHE H H 9.483 0.000 1 121 27 28 PHE C C 173.750 0.014 1 122 27 28 PHE CA C 55.064 0.011 1 123 27 28 PHE CB C 42.582 0.014 1 124 27 28 PHE N N 116.700 0.007 1 125 28 29 VAL H H 9.095 0.000 1 126 28 29 VAL C C 176.112 0.003 1 127 28 29 VAL CA C 62.699 0.002 1 128 28 29 VAL CB C 31.386 0.005 1 129 28 29 VAL N N 120.221 0.003 1 130 29 30 THR H H 8.363 0.000 1 131 29 30 THR C C 171.757 0.005 1 132 29 30 THR CA C 61.390 0.007 1 133 29 30 THR CB C 70.779 0.003 1 134 29 30 THR N N 118.790 0.023 1 135 30 31 ASP H H 7.671 0.000 1 136 30 31 ASP C C 176.760 0.021 1 137 30 31 ASP CA C 53.623 0.011 1 138 30 31 ASP CB C 42.323 0.003 1 139 30 31 ASP N N 112.770 0.007 1 140 31 32 LYS H H 8.402 0.001 1 141 31 32 LYS C C 173.709 0.020 1 142 31 32 LYS CA C 54.497 0.056 1 143 31 32 LYS CB C 30.871 0.012 1 144 31 32 LYS N N 119.700 0.020 1 145 32 33 GLU H H 8.510 0.000 1 146 32 33 GLU C C 176.519 0.004 1 147 32 33 GLU CA C 55.009 0.053 1 148 32 33 GLU CB C 29.566 0.002 1 149 32 33 GLU N N 129.172 0.004 1 150 33 34 ILE H H 8.619 0.001 1 151 33 34 ILE C C 173.788 0.000 1 152 33 34 ILE CA C 55.387 0.000 1 153 33 34 ILE CB C 38.276 0.000 1 154 33 34 ILE N N 128.796 0.002 1 155 34 35 PRO CA C 62.329 0.000 1 156 34 35 PRO CB C 31.563 0.000 1 157 35 36 GLN H H 8.739 0.000 1 158 35 36 GLN C C 177.717 0.028 1 159 35 36 GLN CA C 58.715 0.000 1 160 35 36 GLN CB C 27.651 0.000 1 161 35 36 GLN N N 121.764 0.005 1 162 36 37 GLU H H 9.295 0.001 1 163 36 37 GLU C C 176.668 0.014 1 164 36 37 GLU CA C 58.177 0.010 1 165 36 37 GLU CB C 27.611 0.012 1 166 36 37 GLU N N 116.800 0.001 1 167 37 38 ASN H H 8.033 0.000 1 168 37 38 ASN C C 173.158 0.000 1 169 37 38 ASN CA C 52.317 0.000 1 170 37 38 ASN CB C 38.504 0.002 1 171 37 38 ASN N N 117.322 0.006 1 172 38 39 VAL H H 7.298 0.000 1 173 38 39 VAL C C 175.089 0.009 1 174 38 39 VAL CA C 63.999 0.005 1 175 38 39 VAL CB C 30.700 0.004 1 176 38 39 VAL N N 121.491 0.004 1 177 39 40 ASN H H 8.658 0.000 1 178 39 40 ASN C C 174.246 0.007 1 179 39 40 ASN CA C 52.838 0.000 1 180 39 40 ASN CB C 38.931 0.015 1 181 39 40 ASN N N 126.799 0.005 1 182 40 41 ASN H H 7.947 0.001 1 183 40 41 ASN C C 174.986 0.005 1 184 40 41 ASN CA C 53.172 0.001 1 185 40 41 ASN CB C 39.596 0.002 1 186 40 41 ASN N N 114.828 0.004 1 187 41 42 SER H H 8.851 0.001 1 188 41 42 SER C C 174.051 0.008 1 189 41 42 SER CA C 58.306 0.014 1 190 41 42 SER CB C 62.627 0.001 1 191 41 42 SER N N 115.378 0.003 1 192 42 43 LYS H H 9.430 0.000 1 193 42 43 LYS C C 176.458 0.009 1 194 42 43 LYS CA C 55.608 0.036 1 195 42 43 LYS CB C 33.690 0.030 1 196 42 43 LYS N N 125.257 0.002 1 197 43 44 VAL H H 7.683 0.000 1 198 43 44 VAL C C 174.073 0.007 1 199 43 44 VAL CA C 60.733 0.012 1 200 43 44 VAL CB C 34.552 0.007 1 201 43 44 VAL N N 116.680 0.003 1 202 44 45 LYS H H 8.622 0.000 1 203 44 45 LYS C C 176.494 0.013 1 204 44 45 LYS CA C 54.329 0.002 1 205 44 45 LYS CB C 31.718 0.003 1 206 44 45 LYS N N 127.472 0.001 1 207 45 46 PHE H H 8.618 0.000 1 208 45 46 PHE C C 171.213 0.001 1 209 45 46 PHE CA C 57.045 0.014 1 210 45 46 PHE CB C 40.401 0.000 1 211 45 46 PHE N N 122.227 0.009 1 212 46 47 TYR H H 8.294 0.001 1 213 46 47 TYR C C 173.935 0.000 1 214 46 47 TYR CA C 56.448 0.019 1 215 46 47 TYR CB C 41.272 0.005 1 216 46 47 TYR N N 125.159 0.006 1 217 47 48 LYS H H 8.563 0.002 1 218 47 48 LYS CA C 55.260 0.001 1 219 47 48 LYS CB C 35.988 0.016 1 220 47 48 LYS N N 129.392 0.025 1 221 48 49 LEU H H 8.337 0.000 1 222 48 49 LEU C C 176.477 0.000 1 223 48 49 LEU CA C 53.613 0.044 1 224 48 49 LEU CB C 42.942 0.020 1 225 48 49 LEU N N 127.562 0.006 1 226 49 50 LEU H H 9.081 0.000 1 227 49 50 LEU C C 173.878 0.025 1 228 49 50 LEU CA C 53.153 0.013 1 229 49 50 LEU CB C 45.244 0.011 1 230 49 50 LEU N N 125.993 0.011 1 231 50 51 ILE H H 8.636 0.000 1 232 50 51 ILE C C 174.946 0.012 1 233 50 51 ILE CA C 60.421 0.022 1 234 50 51 ILE CB C 37.523 0.016 1 235 50 51 ILE N N 123.055 0.002 1 236 51 52 VAL H H 8.902 0.000 1 237 51 52 VAL C C 175.536 0.010 1 238 51 52 VAL CA C 59.846 0.001 1 239 51 52 VAL CB C 33.535 0.002 1 240 51 52 VAL N N 125.431 0.002 1 241 52 53 ASP H H 8.699 0.000 1 242 52 53 ASP C C 177.075 0.000 1 243 52 53 ASP CA C 54.513 0.005 1 244 52 53 ASP CB C 42.682 0.009 1 245 52 53 ASP N N 126.744 0.004 1 246 53 54 MET H H 8.744 0.000 1 247 53 54 MET C C 176.995 0.024 1 248 53 54 MET CA C 57.659 0.000 1 249 53 54 MET CB C 32.501 0.018 1 250 53 54 MET N N 125.460 0.008 1 251 54 55 LYS H H 8.659 0.001 1 252 54 55 LYS C C 178.021 0.033 1 253 54 55 LYS CA C 57.444 0.018 1 254 54 55 LYS CB C 31.613 0.000 1 255 54 55 LYS N N 116.717 0.019 1 256 55 56 SER H H 8.434 0.001 1 257 55 56 SER C C 175.292 0.020 1 258 55 56 SER CA C 58.077 0.000 1 259 55 56 SER CB C 64.892 0.008 1 260 55 56 SER N N 113.070 0.005 1 261 56 57 GLU H H 8.180 0.000 1 262 56 57 GLU C C 174.086 0.002 1 263 56 57 GLU CA C 58.177 0.002 1 264 56 57 GLU CB C 26.105 0.013 1 265 56 57 GLU N N 117.030 0.002 1 266 57 58 LYS H H 7.479 0.001 1 267 57 58 LYS C C 175.877 0.000 1 268 57 58 LYS CA C 54.914 0.022 1 269 57 58 LYS CB C 33.213 0.005 1 270 57 58 LYS N N 116.774 0.002 1 271 58 59 LEU H H 8.394 0.000 1 272 58 59 LEU C C 177.784 0.003 1 273 58 59 LEU CA C 54.330 0.006 1 274 58 59 LEU CB C 40.501 0.014 1 275 58 59 LEU N N 119.871 0.014 1 276 59 60 LEU H H 8.888 0.000 1 277 59 60 LEU C C 176.942 0.018 1 278 59 60 LEU CA C 52.522 0.003 1 279 59 60 LEU CB C 44.876 0.005 1 280 59 60 LEU N N 122.602 0.003 1 281 60 61 SER H H 8.637 0.001 1 282 60 61 SER C C 174.139 0.000 1 283 60 61 SER CA C 58.347 0.003 1 284 60 61 SER CB C 63.456 0.016 1 285 60 61 SER N N 112.015 0.003 1 286 61 62 SER H H 7.356 0.001 1 287 61 62 SER C C 172.934 0.006 1 288 61 62 SER CA C 56.887 0.003 1 289 61 62 SER CB C 64.725 0.012 1 290 61 62 SER N N 113.924 0.009 1 291 62 63 SER H H 8.552 0.000 1 292 62 63 SER C C 173.628 0.082 1 293 62 63 SER CA C 59.299 0.000 1 294 62 63 SER CB C 63.330 0.009 1 295 62 63 SER N N 117.115 0.005 1 296 63 64 ASN H H 8.400 0.001 1 297 63 64 ASN C C 176.113 0.000 1 298 63 64 ASN CA C 51.479 0.024 1 299 63 64 ASN CB C 38.920 0.030 1 300 63 64 ASN N N 119.684 0.008 1 301 64 65 LYS H H 8.217 0.002 1 302 64 65 LYS C C 176.358 0.018 1 303 64 65 LYS CA C 57.891 0.003 1 304 64 65 LYS CB C 31.061 0.007 1 305 64 65 LYS N N 116.480 0.009 1 306 65 66 ASN H H 8.547 0.001 1 307 65 66 ASN C C 173.588 0.052 1 308 65 66 ASN CA C 52.258 0.016 1 309 65 66 ASN CB C 39.611 0.031 1 310 65 66 ASN N N 116.672 0.002 1 311 66 67 SER H H 7.969 0.001 1 312 66 67 SER C C 172.968 0.000 1 313 66 67 SER CA C 57.176 0.000 1 314 66 67 SER CB C 66.409 0.004 1 315 66 67 SER N N 114.807 0.008 1 316 67 68 VAL H H 8.868 0.001 1 317 67 68 VAL C C 173.984 0.017 1 318 67 68 VAL CA C 59.441 0.025 1 319 67 68 VAL CB C 34.326 0.001 1 320 67 68 VAL N N 117.419 0.010 1 321 68 69 THR H H 8.415 0.000 1 322 68 69 THR C C 173.442 0.013 1 323 68 69 THR CA C 61.338 0.020 1 324 68 69 THR CB C 68.817 0.000 1 325 68 69 THR N N 121.775 0.003 1 326 69 70 LEU H H 9.484 0.000 1 327 69 70 LEU C C 173.907 0.000 1 328 69 70 LEU CA C 52.873 0.025 1 329 69 70 LEU CB C 42.270 0.021 1 330 69 70 LEU N N 128.934 0.006 1 331 70 71 VAL H H 8.673 0.002 1 332 70 71 VAL CA C 61.471 0.002 1 333 70 71 VAL CB C 30.132 0.020 1 334 70 71 VAL N N 123.352 0.027 1 335 71 72 LEU H H 8.987 0.002 1 336 71 72 LEU C C 175.297 0.002 1 337 71 72 LEU CA C 53.616 0.006 1 338 71 72 LEU CB C 39.662 0.017 1 339 71 72 LEU N N 131.850 0.008 1 340 72 73 ASN H H 9.094 0.001 1 341 72 73 ASN C C 173.331 0.000 1 342 72 73 ASN CA C 52.239 0.041 1 343 72 73 ASN CB C 41.224 0.014 1 344 72 73 ASN N N 121.242 0.009 1 345 73 74 ASN H H 6.944 0.001 1 346 73 74 ASN CA C 55.242 0.014 1 347 73 74 ASN CB C 36.919 0.002 1 348 73 74 ASN N N 115.270 0.010 1 349 74 75 ILE H H 8.054 0.002 1 350 74 75 ILE C C 175.226 0.001 1 351 74 75 ILE CA C 59.394 0.040 1 352 74 75 ILE CB C 38.844 0.042 1 353 74 75 ILE N N 115.739 0.003 1 354 75 76 TYR H H 9.831 0.000 1 355 75 76 TYR C C 174.413 0.000 1 356 75 76 TYR CA C 56.122 0.005 1 357 75 76 TYR CB C 41.433 0.007 1 358 75 76 TYR N N 126.086 0.007 1 359 76 77 GLU H H 8.599 0.000 1 360 76 77 GLU C C 175.515 0.016 1 361 76 77 GLU CA C 54.904 0.009 1 362 76 77 GLU CB C 31.758 0.007 1 363 76 77 GLU N N 119.571 0.003 1 364 77 78 ALA H H 9.160 0.000 1 365 77 78 ALA C C 180.289 0.011 1 366 77 78 ALA CA C 50.441 0.001 1 367 77 78 ALA CB C 20.295 0.011 1 368 77 78 ALA N N 127.252 0.001 1 369 78 79 SER H H 9.014 0.000 1 370 78 79 SER C C 174.557 0.009 1 371 78 79 SER CA C 60.855 0.006 1 372 78 79 SER CB C 62.411 0.003 1 373 78 79 SER N N 116.902 0.008 1 374 79 80 ASP H H 7.883 0.001 1 375 79 80 ASP C C 176.771 0.005 1 376 79 80 ASP CA C 52.908 0.001 1 377 79 80 ASP CB C 39.147 0.007 1 378 79 80 ASP N N 119.351 0.002 1 379 80 81 LYS H H 8.281 0.001 1 380 80 81 LYS C C 176.392 0.004 1 381 80 81 LYS CA C 58.226 0.005 1 382 80 81 LYS CB C 28.109 0.006 1 383 80 81 LYS N N 111.669 0.010 1 384 81 82 SER H H 8.029 0.001 1 385 81 82 SER C C 172.052 0.012 1 386 81 82 SER CA C 59.165 0.002 1 387 81 82 SER CB C 63.312 0.011 1 388 81 82 SER N N 115.626 0.005 1 389 82 83 LEU H H 9.032 0.000 1 390 82 83 LEU C C 178.010 0.000 1 391 82 83 LEU CA C 53.132 0.028 1 392 82 83 LEU CB C 43.939 0.037 1 393 82 83 LEU N N 118.566 0.006 1 394 83 84 CYS H H 9.368 0.000 1 395 83 84 CYS C C 170.892 0.010 1 396 83 84 CYS CA C 54.948 0.001 1 397 83 84 CYS CB C 31.587 0.009 1 398 83 84 CYS N N 114.452 0.011 1 399 84 85 MET H H 9.616 0.000 1 400 84 85 MET C C 176.567 0.007 1 401 84 85 MET CA C 53.390 0.004 1 402 84 85 MET CB C 37.499 0.009 1 403 84 85 MET N N 123.342 0.006 1 404 85 86 GLY H H 8.600 0.001 1 405 85 86 GLY C C 173.607 0.014 1 406 85 86 GLY CA C 45.873 0.004 1 407 85 86 GLY N N 114.406 0.001 1 408 86 87 ILE H H 8.456 0.000 1 409 86 87 ILE C C 175.622 0.027 1 410 86 87 ILE CA C 60.589 0.053 1 411 86 87 ILE CB C 38.753 0.048 1 412 86 87 ILE N N 125.708 0.001 1 413 87 88 ASN H H 9.249 0.005 1 414 87 88 ASN CA C 54.680 0.000 1 415 87 88 ASN CB C 34.954 0.000 1 416 87 88 ASN N N 125.716 0.038 1 417 89 90 ARG H H 8.196 0.000 1 418 89 90 ARG C C 174.782 0.000 1 419 89 90 ARG CA C 54.114 0.005 1 420 89 90 ARG CB C 34.322 0.011 1 421 89 90 ARG N N 120.531 0.005 1 422 90 91 TYR H H 8.284 0.000 1 423 90 91 TYR C C 174.847 0.007 1 424 90 91 TYR CA C 56.599 0.004 1 425 90 91 TYR CB C 40.309 0.002 1 426 90 91 TYR N N 119.106 0.003 1 427 91 92 TYR H H 8.911 0.000 1 428 91 92 TYR C C 175.964 0.000 1 429 91 92 TYR CA C 57.147 0.000 1 430 91 92 TYR CB C 41.129 0.014 1 431 91 92 TYR N N 119.492 0.006 1 432 92 93 LYS H H 8.979 0.000 1 433 92 93 LYS C C 176.197 0.009 1 434 92 93 LYS CA C 56.992 0.013 1 435 92 93 LYS CB C 31.609 0.016 1 436 92 93 LYS N N 124.044 0.001 1 437 93 94 ILE H H 8.430 0.001 1 438 93 94 ILE C C 173.574 0.016 1 439 93 94 ILE CA C 58.725 0.024 1 440 93 94 ILE CB C 39.444 0.005 1 441 93 94 ILE N N 122.169 0.004 1 442 94 95 LEU H H 8.301 0.000 1 443 94 95 LEU C C 172.871 0.000 1 444 94 95 LEU CA C 51.201 0.000 1 445 94 95 LEU CB C 44.944 0.000 1 446 94 95 LEU N N 121.853 0.008 1 447 95 96 PRO CA C 61.814 0.000 1 448 95 96 PRO CB C 31.655 0.000 1 449 96 97 GLU H H 7.995 0.000 1 450 96 97 GLU C C 177.278 0.019 1 451 96 97 GLU CA C 58.709 0.002 1 452 96 97 GLU CB C 28.450 0.018 1 453 96 97 GLU N N 121.197 0.003 1 454 97 98 SER H H 8.031 0.001 1 455 97 98 SER C C 175.429 0.000 1 456 97 98 SER CA C 59.990 0.001 1 457 97 98 SER CB C 61.905 0.002 1 458 97 98 SER N N 112.999 0.004 1 459 98 99 ASP H H 8.174 0.000 1 460 98 99 ASP C C 176.127 0.012 1 461 98 99 ASP CA C 54.749 0.003 1 462 98 99 ASP CB C 41.047 0.001 1 463 98 99 ASP N N 121.747 0.004 1 464 99 100 LYS H H 7.602 0.000 1 465 99 100 LYS C C 177.538 0.008 1 466 99 100 LYS CA C 58.340 0.002 1 467 99 100 LYS CB C 31.392 0.006 1 468 99 100 LYS N N 120.776 0.001 1 469 100 101 GLY H H 8.519 0.000 1 470 100 101 GLY C C 174.657 0.011 1 471 100 101 GLY CA C 45.524 0.016 1 472 100 101 GLY N N 109.629 0.001 1 473 101 102 ALA H H 8.012 0.000 1 474 101 102 ALA C C 177.714 0.005 1 475 101 102 ALA CA C 52.782 0.000 1 476 101 102 ALA CB C 19.220 0.004 1 477 101 102 ALA N N 123.826 0.005 1 478 102 103 VAL H H 7.715 0.000 1 479 102 103 VAL C C 174.700 0.004 1 480 102 103 VAL CA C 61.143 0.002 1 481 102 103 VAL CB C 33.551 0.020 1 482 102 103 VAL N N 118.237 0.003 1 483 103 104 LYS H H 8.459 0.000 1 484 103 104 LYS C C 176.595 0.000 1 485 103 104 LYS CA C 56.167 0.008 1 486 103 104 LYS CB C 32.254 0.006 1 487 103 104 LYS N N 125.289 0.005 1 488 104 105 ALA H H 8.267 0.000 1 489 104 105 ALA C C 176.648 0.012 1 490 104 105 ALA CA C 51.212 0.001 1 491 104 105 ALA CB C 19.321 0.002 1 492 104 105 ALA N N 123.184 0.002 1 493 105 106 LEU H H 7.949 0.000 1 494 105 106 LEU C C 175.341 0.010 1 495 105 106 LEU CA C 55.969 0.011 1 496 105 106 LEU CB C 42.402 0.002 1 497 105 106 LEU N N 121.199 0.003 1 498 106 107 ARG H H 8.154 0.000 1 499 106 107 ARG C C 177.561 0.012 1 500 106 107 ARG CA C 54.472 0.007 1 501 106 107 ARG CB C 30.121 0.007 1 502 106 107 ARG N N 125.883 0.006 1 503 107 108 LEU H H 8.838 0.000 1 504 107 108 LEU C C 178.132 0.000 1 505 107 108 LEU CA C 56.624 0.011 1 506 107 108 LEU CB C 40.690 0.010 1 507 107 108 LEU N N 124.898 0.005 1 508 108 109 GLN H H 8.326 0.001 1 509 108 109 GLN C C 176.175 0.016 1 510 108 109 GLN CA C 58.121 0.008 1 511 108 109 GLN CB C 26.786 0.004 1 512 108 109 GLN N N 113.426 0.004 1 513 109 110 ASN H H 7.185 0.001 1 514 109 110 ASN C C 174.758 0.000 1 515 109 110 ASN CA C 54.641 0.005 1 516 109 110 ASN CB C 38.051 0.017 1 517 109 110 ASN N N 115.774 0.006 1 518 110 111 PHE H H 7.811 0.001 1 519 110 111 PHE C C 173.918 0.000 1 520 110 111 PHE CA C 56.791 0.031 1 521 110 111 PHE CB C 39.231 0.001 1 522 110 111 PHE N N 117.843 0.005 1 523 111 112 ASP H H 7.988 0.002 1 524 111 112 ASP C C 176.108 0.000 1 525 111 112 ASP CA C 53.510 0.003 1 526 111 112 ASP CB C 41.336 0.000 1 527 111 112 ASP N N 119.638 0.001 1 528 112 113 VAL H H 8.274 0.000 1 529 112 113 VAL C C 176.756 0.000 1 530 112 113 VAL CA C 61.726 0.000 1 531 112 113 VAL CB C 31.802 0.001 1 532 112 113 VAL N N 120.220 0.002 1 533 113 114 THR H H 8.504 0.000 1 534 113 114 THR C C 174.764 0.000 1 535 113 114 THR CA C 61.506 0.063 1 536 113 114 THR CB C 69.589 0.009 1 537 113 114 THR N N 118.163 0.003 1 538 114 115 SER H H 8.458 0.000 1 539 114 115 SER C C 174.115 0.000 1 540 114 115 SER CA C 57.979 0.007 1 541 114 115 SER CB C 63.300 0.008 1 542 114 115 SER N N 118.396 0.001 1 543 115 116 ASP H H 8.422 0.000 1 544 115 116 ASP C C 175.724 0.000 1 545 115 116 ASP CA C 54.143 0.004 1 546 115 116 ASP CB C 40.514 0.005 1 547 115 116 ASP N N 121.658 0.003 1 548 116 117 ILE H H 7.994 0.000 1 549 116 117 ILE C C 176.012 0.018 1 550 116 117 ILE CA C 60.339 0.003 1 551 116 117 ILE CB C 37.794 0.025 1 552 116 117 ILE N N 120.682 0.002 1 553 117 118 SER H H 8.409 0.000 1 554 117 118 SER C C 173.872 0.011 1 555 117 118 SER CA C 57.572 0.002 1 556 117 118 SER CB C 63.462 0.009 1 557 117 118 SER N N 120.583 0.002 1 558 118 119 ASP H H 8.393 0.000 1 559 118 119 ASP C C 175.029 0.000 1 560 118 119 ASP CA C 54.109 0.032 1 561 118 119 ASP CB C 41.572 0.009 1 562 118 119 ASP N N 122.900 0.001 1 563 119 120 ASP H H 8.208 0.000 1 564 119 120 ASP C C 174.706 0.000 1 565 119 120 ASP CA C 53.756 0.000 1 566 119 120 ASP CB C 41.469 0.094 1 567 119 120 ASP N N 119.165 0.001 1 568 121 122 PHE H H 8.232 0.001 1 569 121 122 PHE CA C 57.437 0.000 1 570 121 122 PHE CB C 39.579 0.000 1 571 121 122 PHE N N 119.799 0.010 1 572 123 124 ILE H H 8.845 0.000 1 573 123 124 ILE C C 176.245 0.000 1 574 123 124 ILE CA C 62.706 0.003 1 575 123 124 ILE CB C 37.116 0.002 1 576 123 124 ILE N N 126.840 0.012 1 577 124 125 ASP H H 8.723 0.001 1 578 124 125 ASP C C 176.436 0.045 1 579 124 125 ASP CA C 55.399 0.014 1 580 124 125 ASP CB C 42.553 0.007 1 581 124 125 ASP N N 131.123 0.005 1 582 125 126 LYS H H 8.560 0.000 1 583 125 126 LYS C C 177.179 0.001 1 584 125 126 LYS CA C 58.051 0.001 1 585 125 126 LYS CB C 31.668 0.009 1 586 125 126 LYS N N 123.122 0.017 1 587 126 127 ASN H H 8.415 0.001 1 588 126 127 ASN C C 174.800 0.000 1 589 126 127 ASN CA C 53.927 0.004 1 590 126 127 ASN CB C 39.643 0.013 1 591 126 127 ASN N N 116.199 0.005 1 592 127 128 ASP H H 7.831 0.000 1 593 127 128 ASP C C 174.912 0.023 1 594 127 128 ASP CA C 52.796 0.001 1 595 127 128 ASP CB C 41.538 0.009 1 596 127 128 ASP N N 119.597 0.006 1 597 128 129 SER H H 8.658 0.000 1 598 128 129 SER C C 172.740 0.018 1 599 128 129 SER CA C 60.376 0.032 1 600 128 129 SER CB C 63.093 0.003 1 601 128 129 SER N N 119.216 0.003 1 602 129 130 ARG H H 8.201 0.001 1 603 129 130 ARG C C 174.112 0.000 1 604 129 130 ARG CA C 55.119 0.000 1 605 129 130 ARG CB C 28.120 0.006 1 606 129 130 ARG N N 116.858 0.004 1 607 130 131 LYS H H 8.044 0.001 1 608 130 131 LYS C C 174.424 0.000 1 609 130 131 LYS CA C 53.727 0.005 1 610 130 131 LYS CB C 35.110 0.003 1 611 130 131 LYS N N 119.111 0.009 1 612 131 132 ILE H H 9.114 0.000 1 613 131 132 ILE C C 174.367 0.011 1 614 131 132 ILE CA C 57.496 0.012 1 615 131 132 ILE CB C 41.342 0.024 1 616 131 132 ILE N N 119.264 0.002 1 617 132 133 ASP H H 9.804 0.000 1 618 132 133 ASP C C 174.767 0.000 1 619 132 133 ASP CA C 51.553 0.019 1 620 132 133 ASP CB C 39.661 0.020 1 621 132 133 ASP N N 126.606 0.005 1 622 133 134 TYR H H 8.847 0.001 1 623 133 134 TYR C C 174.894 0.000 1 624 133 134 TYR CA C 57.990 0.021 1 625 133 134 TYR CB C 40.064 0.034 1 626 133 134 TYR N N 122.915 0.004 1 627 134 135 MET H H 8.991 0.001 1 628 134 135 MET C C 175.424 0.022 1 629 134 135 MET CA C 55.691 0.009 1 630 134 135 MET CB C 29.549 0.003 1 631 134 135 MET N N 127.305 0.003 1 632 135 136 GLY H H 8.734 0.001 1 633 135 136 GLY C C 173.808 0.023 1 634 135 136 GLY CA C 45.113 0.011 1 635 135 136 GLY N N 104.749 0.011 1 636 136 137 ASN H H 8.255 0.000 1 637 136 137 ASN C C 173.348 0.000 1 638 136 137 ASN CA C 51.088 0.000 1 639 136 137 ASN CB C 41.653 0.000 1 640 136 137 ASN N N 118.394 0.010 1 641 137 138 ILE H H 8.752 0.000 1 642 137 138 ILE C C 174.009 0.000 1 643 137 138 ILE CA C 60.371 0.008 1 644 137 138 ILE CB C 38.904 0.019 1 645 137 138 ILE N N 121.916 0.001 1 646 138 139 TYR H H 9.628 0.000 1 647 138 139 TYR C C 175.574 0.012 1 648 138 139 TYR CA C 55.777 0.004 1 649 138 139 TYR CB C 39.922 0.000 1 650 138 139 TYR N N 124.654 0.008 1 651 139 140 SER H H 8.972 0.001 1 652 139 140 SER C C 174.759 0.000 1 653 139 140 SER CA C 56.550 0.005 1 654 139 140 SER CB C 63.777 0.001 1 655 139 140 SER N N 116.733 0.008 1 656 140 141 ILE H H 8.914 0.001 1 657 140 141 ILE C C 175.026 0.017 1 658 140 141 ILE CA C 63.113 0.003 1 659 140 141 ILE CB C 36.657 0.001 1 660 140 141 ILE N N 128.165 0.006 1 661 141 142 SER H H 8.584 0.000 1 662 141 142 SER C C 172.524 0.015 1 663 141 142 SER CA C 58.012 0.006 1 664 141 142 SER CB C 65.829 0.000 1 665 141 142 SER N N 126.345 0.006 1 666 142 143 ASP H H 8.255 0.000 1 667 142 143 ASP C C 177.497 0.004 1 668 142 143 ASP CA C 53.554 0.001 1 669 142 143 ASP CB C 40.688 0.018 1 670 142 143 ASP N N 114.371 0.002 1 671 143 144 THR H H 8.525 0.000 1 672 143 144 THR C C 173.397 0.007 1 673 143 144 THR CA C 63.092 0.036 1 674 143 144 THR CB C 69.285 0.016 1 675 143 144 THR N N 121.193 0.001 1 676 144 145 THR H H 8.753 0.000 1 677 144 145 THR C C 174.491 0.000 1 678 144 145 THR CA C 62.615 0.007 1 679 144 145 THR CB C 69.704 0.014 1 680 144 145 THR N N 125.756 0.006 1 681 145 146 VAL H H 8.400 0.000 1 682 145 146 VAL C C 174.574 0.017 1 683 145 146 VAL CA C 61.505 0.005 1 684 145 146 VAL CB C 31.701 0.017 1 685 145 146 VAL N N 129.635 0.003 1 686 146 147 SER H H 8.654 0.000 1 687 146 147 SER C C 175.107 0.010 1 688 146 147 SER CA C 57.913 0.003 1 689 146 147 SER CB C 64.050 0.011 1 690 146 147 SER N N 123.443 0.004 1 691 147 148 ASP H H 8.736 0.000 1 692 147 148 ASP C C 178.704 0.002 1 693 147 148 ASP CA C 57.272 0.004 1 694 147 148 ASP CB C 39.768 0.004 1 695 147 148 ASP N N 121.325 0.005 1 696 148 149 GLU H H 8.490 0.000 1 697 148 149 GLU C C 177.265 0.007 1 698 148 149 GLU CA C 58.095 0.011 1 699 148 149 GLU CB C 28.501 0.011 1 700 148 149 GLU N N 116.230 0.003 1 701 149 150 GLU H H 7.537 0.000 1 702 149 150 GLU C C 175.802 0.009 1 703 149 150 GLU CA C 55.809 0.000 1 704 149 150 GLU CB C 30.817 0.005 1 705 149 150 GLU N N 117.173 0.003 1 706 150 151 LEU H H 7.164 0.000 1 707 150 151 LEU C C 176.878 0.008 1 708 150 151 LEU CA C 56.048 0.011 1 709 150 151 LEU CB C 41.431 0.002 1 710 150 151 LEU N N 121.207 0.004 1 711 151 152 GLY H H 8.714 0.000 1 712 151 152 GLY C C 174.107 0.002 1 713 151 152 GLY CA C 43.549 0.003 1 714 151 152 GLY N N 114.465 0.009 1 715 152 153 GLU H H 8.430 0.000 1 716 152 153 GLU C C 176.702 0.010 1 717 152 153 GLU CA C 55.957 0.010 1 718 152 153 GLU CB C 30.675 0.005 1 719 152 153 GLU N N 122.857 0.003 1 720 153 154 TYR H H 8.754 0.000 1 721 153 154 TYR C C 174.116 0.000 1 722 153 154 TYR CA C 59.466 0.000 1 723 153 154 TYR CB C 38.251 0.002 1 724 153 154 TYR N N 125.005 0.002 1 725 154 155 GLN H H 8.339 0.000 1 726 154 155 GLN C C 174.172 0.000 1 727 154 155 GLN CA C 54.764 0.009 1 728 154 155 GLN CB C 29.506 0.000 1 729 154 155 GLN N N 123.113 0.010 1 730 155 156 ASP H H 7.091 0.001 1 731 155 156 ASP C C 172.859 0.019 1 732 155 156 ASP CA C 52.488 0.007 1 733 155 156 ASP CB C 43.331 0.006 1 734 155 156 ASP N N 115.047 0.009 1 735 156 157 VAL H H 9.633 0.001 1 736 156 157 VAL C C 173.160 0.011 1 737 156 157 VAL CA C 59.651 0.008 1 738 156 157 VAL CB C 33.913 0.000 1 739 156 157 VAL N N 117.489 0.008 1 740 157 158 LEU H H 8.450 0.000 1 741 157 158 LEU C C 176.684 0.014 1 742 157 158 LEU CA C 56.139 0.007 1 743 157 158 LEU CB C 41.055 0.024 1 744 157 158 LEU N N 127.078 0.006 1 745 158 159 ALA H H 7.757 0.000 1 746 158 159 ALA C C 175.836 0.000 1 747 158 159 ALA CA C 52.374 0.013 1 748 158 159 ALA CB C 15.866 0.021 1 749 158 159 ALA N N 120.053 0.007 1 750 159 160 GLU H H 7.830 0.001 1 751 159 160 GLU C C 174.071 0.000 1 752 159 160 GLU CA C 54.610 0.026 1 753 159 160 GLU CB C 35.398 0.000 1 754 159 160 GLU N N 115.601 0.022 1 755 160 161 VAL H H 8.830 0.000 1 756 160 161 VAL CA C 60.429 0.005 1 757 160 161 VAL CB C 34.566 0.048 1 758 160 161 VAL N N 120.409 0.010 1 759 161 162 ARG H H 9.351 0.000 1 760 161 162 ARG C C 174.157 0.000 1 761 161 162 ARG CA C 54.249 0.000 1 762 161 162 ARG CB C 34.013 0.000 1 763 161 162 ARG N N 122.912 0.007 1 764 163 164 PHE H H 8.781 0.000 1 765 163 164 PHE C C 173.617 0.010 1 766 163 164 PHE CA C 54.069 0.020 1 767 163 164 PHE CB C 41.888 0.031 1 768 163 164 PHE N N 121.454 0.005 1 769 164 165 ASP H H 8.442 0.000 1 770 164 165 ASP C C 177.676 0.004 1 771 164 165 ASP CA C 54.025 0.024 1 772 164 165 ASP CB C 42.345 0.008 1 773 164 165 ASP N N 120.038 0.005 1 774 165 166 SER H H 8.562 0.000 1 775 165 166 SER C C 174.733 0.010 1 776 165 166 SER CA C 60.869 0.002 1 777 165 166 SER CB C 62.635 0.003 1 778 165 166 SER N N 123.296 0.008 1 779 166 167 VAL H H 8.347 0.000 1 780 166 167 VAL C C 177.503 0.004 1 781 166 167 VAL CA C 64.414 0.006 1 782 166 167 VAL CB C 31.195 0.000 1 783 166 167 VAL N N 119.260 0.003 1 784 167 168 SER H H 8.361 0.000 1 785 167 168 SER C C 176.230 0.003 1 786 167 168 SER CA C 58.541 0.000 1 787 167 168 SER CB C 65.146 0.005 1 788 167 168 SER N N 113.701 0.007 1 789 168 169 GLY H H 8.683 0.001 1 790 168 169 GLY C C 174.379 0.013 1 791 168 169 GLY CA C 45.003 0.012 1 792 168 169 GLY N N 110.812 0.006 1 793 169 170 LYS H H 8.142 0.000 1 794 169 170 LYS C C 177.034 0.011 1 795 169 170 LYS CA C 56.810 0.010 1 796 169 170 LYS CB C 32.026 0.004 1 797 169 170 LYS N N 123.060 0.002 1 798 170 171 SER H H 9.028 0.000 1 799 170 171 SER C C 174.312 0.019 1 800 170 171 SER CA C 58.789 0.003 1 801 170 171 SER CB C 63.210 0.004 1 802 170 171 SER N N 121.767 0.003 1 803 171 172 ILE H H 8.982 0.001 1 804 171 172 ILE C C 174.745 0.000 1 805 171 172 ILE CA C 57.339 0.000 1 806 171 172 ILE CB C 38.374 0.000 1 807 171 172 ILE N N 126.042 0.002 1 808 172 173 PRO C C 177.351 0.000 1 809 172 173 PRO CA C 62.882 0.000 1 810 172 173 PRO CB C 31.631 0.000 1 811 173 174 ARG H H 8.470 0.000 1 812 173 174 ARG C C 178.188 0.007 1 813 173 174 ARG CA C 57.535 0.006 1 814 173 174 ARG CB C 28.788 0.028 1 815 173 174 ARG N N 122.696 0.005 1 816 174 175 SER H H 8.138 0.000 1 817 174 175 SER C C 175.649 0.000 1 818 174 175 SER CA C 59.818 0.019 1 819 174 175 SER CB C 61.696 0.012 1 820 174 175 SER N N 112.926 0.004 1 821 175 176 GLU H H 8.182 0.000 1 822 175 176 GLU C C 177.789 0.000 1 823 175 176 GLU CA C 55.349 0.014 1 824 175 176 GLU CB C 29.546 0.015 1 825 175 176 GLU N N 119.578 0.006 1 826 176 177 TRP H H 7.854 0.000 1 827 176 177 TRP C C 177.721 0.007 1 828 176 177 TRP CA C 58.109 0.004 1 829 176 177 TRP CB C 28.383 0.009 1 830 176 177 TRP N N 121.354 0.005 1 831 177 178 GLY H H 8.670 0.000 1 832 177 178 GLY C C 174.212 0.010 1 833 177 178 GLY CA C 45.122 0.006 1 834 177 178 GLY N N 107.650 0.005 1 835 178 179 ARG H H 7.639 0.000 1 836 178 179 ARG C C 176.378 0.010 1 837 178 179 ARG CA C 55.865 0.016 1 838 178 179 ARG CB C 29.794 0.006 1 839 178 179 ARG N N 120.428 0.002 1 840 179 180 ILE H H 8.180 0.000 1 841 179 180 ILE C C 175.986 0.011 1 842 179 180 ILE CA C 60.812 0.005 1 843 179 180 ILE CB C 37.890 0.003 1 844 179 180 ILE N N 122.184 0.005 1 845 180 181 ASP H H 8.458 0.000 1 846 180 181 ASP C C 176.600 0.000 1 847 180 181 ASP CA C 53.897 0.007 1 848 180 181 ASP CB C 40.799 0.005 1 849 180 181 ASP N N 124.155 0.004 1 850 181 182 LYS H H 8.343 0.000 1 851 181 182 LYS C C 176.672 0.000 1 852 181 182 LYS CA C 56.698 0.003 1 853 181 182 LYS CB C 31.841 0.012 1 854 181 182 LYS N N 121.663 0.003 1 855 182 183 ASP H H 8.311 0.000 1 856 182 183 ASP C C 176.930 0.023 1 857 182 183 ASP CA C 54.226 0.007 1 858 182 183 ASP CB C 40.648 0.008 1 859 182 183 ASP N N 119.685 0.004 1 860 183 184 GLY H H 8.301 0.000 1 861 183 184 GLY C C 174.944 0.000 1 862 183 184 GLY CA C 45.364 0.001 1 863 183 184 GLY N N 109.317 0.007 1 864 184 185 SER H H 8.370 0.000 1 865 184 185 SER C C 174.898 0.043 1 866 184 185 SER CA C 58.821 0.007 1 867 184 185 SER CB C 63.103 0.020 1 868 184 185 SER N N 116.135 0.003 1 869 185 186 ASN H H 8.558 0.000 1 870 185 186 ASN C C 175.637 0.006 1 871 185 186 ASN CA C 53.245 0.000 1 872 185 186 ASN CB C 38.213 0.003 1 873 185 186 ASN N N 120.138 0.006 1 874 186 187 SER H H 8.206 0.000 1 875 186 187 SER C C 175.039 0.009 1 876 186 187 SER CA C 58.608 0.006 1 877 186 187 SER CB C 63.068 0.008 1 878 186 187 SER N N 115.656 0.002 1 879 187 188 LYS H H 8.351 0.000 1 880 187 188 LYS C C 176.807 0.003 1 881 187 188 LYS CA C 56.477 0.003 1 882 187 188 LYS CB C 31.533 0.016 1 883 187 188 LYS N N 122.342 0.004 1 884 188 189 GLN H H 8.167 0.000 1 885 188 189 GLN C C 176.012 0.006 1 886 188 189 GLN CA C 55.702 0.000 1 887 188 189 GLN CB C 28.750 0.000 1 888 188 189 GLN N N 119.735 0.005 1 889 189 190 SER H H 8.454 0.000 1 890 189 190 SER C C 174.045 0.020 1 891 189 190 SER CA C 58.029 0.004 1 892 189 190 SER CB C 63.061 0.005 1 893 189 190 SER N N 117.466 0.003 1 894 190 191 ARG H H 8.076 0.000 1 895 190 191 ARG C C 175.010 0.008 1 896 190 191 ARG CA C 54.648 0.011 1 897 190 191 ARG CB C 31.844 0.008 1 898 190 191 ARG N N 123.503 0.003 1 899 191 192 THR H H 8.569 0.000 1 900 191 192 THR C C 170.280 0.015 1 901 191 192 THR CA C 61.315 0.006 1 902 191 192 THR CB C 70.415 0.003 1 903 191 192 THR N N 120.327 0.003 1 904 192 193 GLU H H 8.137 0.000 1 905 192 193 GLU C C 174.764 0.016 1 906 192 193 GLU CA C 53.833 0.000 1 907 192 193 GLU CB C 30.539 0.018 1 908 192 193 GLU N N 125.069 0.006 1 909 193 194 TRP H H 9.167 0.000 1 910 193 194 TRP C C 172.740 0.012 1 911 193 194 TRP CA C 54.228 0.007 1 912 193 194 TRP CB C 33.337 0.002 1 913 193 194 TRP N N 127.238 0.003 1 914 194 195 ASP H H 8.326 0.001 1 915 194 195 ASP C C 175.609 0.028 1 916 194 195 ASP CA C 52.793 0.000 1 917 194 195 ASP CB C 41.513 0.000 1 918 194 195 ASP N N 121.967 0.009 1 919 195 196 TYR H H 9.699 0.001 1 920 195 196 TYR C C 176.633 0.010 1 921 195 196 TYR CA C 56.339 0.003 1 922 195 196 TYR CB C 38.714 0.006 1 923 195 196 TYR N N 126.073 0.003 1 924 196 197 GLY H H 9.585 0.001 1 925 196 197 GLY C C 173.821 0.007 1 926 196 197 GLY CA C 44.441 0.010 1 927 196 197 GLY N N 114.424 0.008 1 928 197 198 GLU H H 9.595 0.000 1 929 197 198 GLU C C 174.877 0.012 1 930 197 198 GLU CA C 56.625 0.019 1 931 197 198 GLU CB C 31.982 0.004 1 932 197 198 GLU N N 126.808 0.012 1 933 198 199 ILE H H 8.719 0.001 1 934 198 199 ILE C C 176.675 0.021 1 935 198 199 ILE CA C 59.277 0.000 1 936 198 199 ILE CB C 39.045 0.026 1 937 198 199 ILE N N 118.257 0.009 1 938 199 200 HIS H H 9.486 0.001 1 939 199 200 HIS C C 174.383 0.001 1 940 199 200 HIS CA C 53.347 0.010 1 941 199 200 HIS CB C 33.417 0.012 1 942 199 200 HIS N N 125.399 0.012 1 943 200 201 SER H H 8.573 0.000 1 944 200 201 SER C C 172.876 0.014 1 945 200 201 SER CA C 57.898 0.003 1 946 200 201 SER CB C 63.917 0.003 1 947 200 201 SER N N 114.667 0.002 1 948 201 202 ILE H H 9.858 0.000 1 949 201 202 ILE C C 176.653 0.006 1 950 201 202 ILE CA C 59.152 0.016 1 951 201 202 ILE CB C 39.188 0.004 1 952 201 202 ILE N N 121.231 0.006 1 953 202 203 ARG H H 8.575 0.000 1 954 202 203 ARG C C 177.566 0.009 1 955 202 203 ARG CA C 58.080 0.018 1 956 202 203 ARG CB C 28.740 0.001 1 957 202 203 ARG N N 126.235 0.005 1 958 203 204 GLY H H 8.763 0.000 1 959 203 204 GLY C C 173.916 0.009 1 960 203 204 GLY CA C 45.076 0.011 1 961 203 204 GLY N N 112.055 0.002 1 962 204 205 LYS H H 8.084 0.000 1 963 204 205 LYS C C 176.662 0.015 1 964 204 205 LYS CA C 53.634 0.006 1 965 204 205 LYS CB C 34.420 0.009 1 966 204 205 LYS N N 118.899 0.004 1 967 205 206 SER H H 9.184 0.000 1 968 205 206 SER C C 176.641 0.006 1 969 205 206 SER CA C 57.494 0.000 1 970 205 206 SER CB C 62.996 0.005 1 971 205 206 SER N N 120.045 0.004 1 972 206 207 LEU H H 9.094 0.000 1 973 206 207 LEU C C 177.206 0.010 1 974 206 207 LEU CA C 57.197 0.044 1 975 206 207 LEU CB C 42.109 0.004 1 976 206 207 LEU N N 128.580 0.004 1 977 207 208 THR H H 7.722 0.000 1 978 207 208 THR C C 175.421 0.000 1 979 207 208 THR CA C 63.182 0.004 1 980 207 208 THR CB C 68.437 0.007 1 981 207 208 THR N N 103.261 0.006 1 982 208 209 GLU H H 8.142 0.000 1 983 208 209 GLU C C 176.455 0.003 1 984 208 209 GLU CA C 57.515 0.004 1 985 208 209 GLU CB C 31.335 0.023 1 986 208 209 GLU N N 120.508 0.007 1 987 209 210 ALA H H 8.495 0.001 1 988 209 210 ALA C C 174.249 0.009 1 989 209 210 ALA CA C 51.749 0.003 1 990 209 210 ALA CB C 22.376 0.004 1 991 209 210 ALA N N 121.025 0.007 1 992 210 211 PHE H H 8.283 0.000 1 993 210 211 PHE C C 171.351 0.010 1 994 210 211 PHE CA C 56.503 0.000 1 995 210 211 PHE CB C 38.222 0.013 1 996 210 211 PHE N N 111.848 0.008 1 997 211 212 ALA H H 9.298 0.000 1 998 211 212 ALA C C 175.856 0.010 1 999 211 212 ALA CA C 49.183 0.012 1 1000 211 212 ALA CB C 21.446 0.002 1 1001 211 212 ALA N N 121.099 0.003 1 1002 212 213 VAL H H 9.528 0.000 1 1003 212 213 VAL C C 173.630 0.014 1 1004 212 213 VAL CA C 58.477 0.002 1 1005 212 213 VAL CB C 34.143 0.008 1 1006 212 213 VAL N N 121.377 0.002 1 1007 213 214 GLU H H 8.795 0.000 1 1008 213 214 GLU C C 174.021 0.004 1 1009 213 214 GLU CA C 55.496 0.022 1 1010 213 214 GLU CB C 30.504 0.006 1 1011 213 214 GLU N N 131.398 0.003 1 1012 214 215 ILE H H 8.676 0.000 1 1013 214 215 ILE C C 176.560 0.010 1 1014 214 215 ILE CA C 56.414 0.024 1 1015 214 215 ILE CB C 35.653 0.007 1 1016 214 215 ILE N N 128.731 0.004 1 1017 215 216 ASN H H 9.417 0.001 1 1018 215 216 ASN C C 174.791 0.000 1 1019 215 216 ASN CA C 54.032 0.000 1 1020 215 216 ASN CB C 35.394 0.000 1 1021 215 216 ASN N N 127.853 0.004 1 1022 216 217 ASP H H 8.701 0.001 1 1023 216 217 ASP C C 174.110 0.000 1 1024 216 217 ASP CA C 55.783 0.000 1 1025 216 217 ASP CB C 39.221 0.000 1 1026 216 217 ASP N N 109.535 0.004 1 1027 217 218 ASP H H 7.565 0.000 1 1028 217 218 ASP C C 174.853 0.000 1 1029 217 218 ASP CA C 52.523 0.012 1 1030 217 218 ASP CB C 44.166 0.006 1 1031 217 218 ASP N N 119.612 0.005 1 1032 218 219 PHE H H 8.920 0.000 1 1033 218 219 PHE C C 174.923 0.000 1 1034 218 219 PHE CA C 60.539 0.006 1 1035 218 219 PHE CB C 39.181 0.001 1 1036 218 219 PHE N N 122.076 0.007 1 1037 219 220 LYS H H 9.053 0.000 1 1038 219 220 LYS C C 176.888 0.010 1 1039 219 220 LYS CA C 51.634 0.003 1 1040 219 220 LYS CB C 33.161 0.008 1 1041 219 220 LYS N N 123.136 0.005 1 1042 220 221 LEU H H 8.066 0.000 1 1043 220 221 LEU C C 175.123 0.018 1 1044 220 221 LEU CA C 55.120 0.000 1 1045 220 221 LEU CB C 41.777 0.012 1 1046 220 221 LEU N N 121.572 0.002 1 1047 221 222 ALA H H 9.344 0.000 1 1048 221 222 ALA C C 175.622 0.005 1 1049 221 222 ALA CA C 49.708 0.000 1 1050 221 222 ALA CB C 19.316 0.007 1 1051 221 222 ALA N N 133.767 0.004 1 1052 222 223 THR H H 7.884 0.000 1 1053 222 223 THR C C 174.060 0.004 1 1054 222 223 THR CA C 59.414 0.003 1 1055 222 223 THR CB C 71.051 0.008 1 1056 222 223 THR N N 110.501 0.004 1 1057 223 224 LYS H H 8.041 0.000 1 1058 223 224 LYS C C 176.902 0.003 1 1059 223 224 LYS CA C 57.364 0.007 1 1060 223 224 LYS CB C 31.431 0.037 1 1061 223 224 LYS N N 125.820 0.004 1 1062 224 225 VAL H H 8.933 0.000 1 1063 224 225 VAL C C 176.407 0.009 1 1064 224 225 VAL CA C 61.992 0.002 1 1065 224 225 VAL CB C 31.875 0.014 1 1066 224 225 VAL N N 126.647 0.004 1 1067 225 226 GLY H H 8.437 0.000 1 1068 225 226 GLY C C 172.849 0.008 1 1069 225 226 GLY CA C 44.726 0.001 1 1070 225 226 GLY N N 113.263 0.005 1 1071 226 227 ASN H H 8.001 0.000 1 1072 226 227 ASN C C 179.736 0.000 1 1073 226 227 ASN CA C 54.512 0.000 1 1074 226 227 ASN CB C 39.851 0.000 1 1075 226 227 ASN N N 123.917 0.005 1 stop_ save_