data_25194 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR resonance assignment of the C-terminal domain of the lantibiotic immunity protein NisI ; _BMRB_accession_number 25194 _BMRB_flat_file_name bmr25194.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" 710 "13C chemical shifts" 537 "15N chemical shifts" 138 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' 25193 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 14562.9 _Mol_thiol_state unknown _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 130 _Mol_residue_sequence ; SDKGAVKALRLQNFDVTSDI SDDNFVIDKNDSRKIDYMGN IYSISDTTVSDEELGEYQDV LAEVRVFDSVSGKSIPRSEW GRIDKDGSNSKQSRTEWDYG EIHSIRGKSLTEAFAVEIND DFKLATKVGN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 97 SER 2 98 ASP 3 99 LYS 4 100 GLY 5 101 ALA 6 102 VAL 7 103 LYS 8 104 ALA 9 105 LEU 10 106 ARG 11 107 LEU 12 108 GLN 13 109 ASN 14 110 PHE 15 111 ASP 16 112 VAL 17 113 THR 18 114 SER 19 115 ASP 20 116 ILE 21 117 SER 22 118 ASP 23 119 ASP 24 120 ASN 25 121 PHE 26 122 VAL 27 123 ILE 28 124 ASP 29 125 LYS 30 126 ASN 31 127 ASP 32 128 SER 33 129 ARG 34 130 LYS 35 131 ILE 36 132 ASP 37 133 TYR 38 134 MET 39 135 GLY 40 136 ASN 41 137 ILE 42 138 TYR 43 139 SER 44 140 ILE 45 141 SER 46 142 ASP 47 143 THR 48 144 THR 49 145 VAL 50 146 SER 51 147 ASP 52 148 GLU 53 149 GLU 54 150 LEU 55 151 GLY 56 152 GLU 57 153 TYR 58 154 GLN 59 155 ASP 60 156 VAL 61 157 LEU 62 158 ALA 63 159 GLU 64 160 VAL 65 161 ARG 66 162 VAL 67 163 PHE 68 164 ASP 69 165 SER 70 166 VAL 71 167 SER 72 168 GLY 73 169 LYS 74 170 SER 75 171 ILE 76 172 PRO 77 173 ARG 78 174 SER 79 175 GLU 80 176 TRP 81 177 GLY 82 178 ARG 83 179 ILE 84 180 ASP 85 181 LYS 86 182 ASP 87 183 GLY 88 184 SER 89 185 ASN 90 186 SER 91 187 LYS 92 188 GLN 93 189 SER 94 190 ARG 95 191 THR 96 192 GLU 97 193 TRP 98 194 ASP 99 195 TYR 100 196 GLY 101 197 GLU 102 198 ILE 103 199 HIS 104 200 SER 105 201 ILE 106 202 ARG 107 203 GLY 108 204 LYS 109 205 SER 110 206 LEU 111 207 THR 112 208 GLU 113 209 ALA 114 210 PHE 115 211 ALA 116 212 VAL 117 213 GLU 118 214 ILE 119 215 ASN 120 216 ASP 121 217 ASP 122 218 PHE 123 219 LYS 124 220 LEU 125 221 ALA 126 222 THR 127 223 LYS 128 224 VAL 129 225 GLY 130 226 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 25193 NisI 100.00 227 100.00 100.00 1.32e-85 PDB 2N2E "Nmr Solution Structure Of The C-terminal Domain Of Nisi, A Lipoprotein From Lactococcus Lactis Which Confers Immunity Against N" 83.08 108 100.00 100.00 6.10e-70 DBJ BAL50562 "encodes a protein involved in immunity against nisin [Lactococcus lactis subsp. lactis IO-1]" 100.00 245 100.00 100.00 2.01e-85 EMBL CAA54209 "nisI [Lactococcus lactis]" 100.00 245 100.00 100.00 2.50e-85 EMBL CAA79465 "NisI protein [Lactococcus lactis]" 100.00 245 99.23 99.23 9.62e-85 GB AAA25193 "encodes a protein involved in immunity against nisin [Lactococcus lactis]" 100.00 245 100.00 100.00 2.50e-85 GB AAQ89591 "nisin immunity protein [Lactococcus lactis subsp. lactis]" 100.00 245 100.00 100.00 2.58e-85 GB AAQ89592 "nisin immunity protein [Lactococcus lactis subsp. lactis]" 100.00 245 100.00 100.00 2.58e-85 GB ACM62695 "nisI [Shuttle vector pMSP3535H3]" 100.00 245 99.23 99.23 9.62e-85 GB ADA64984 "Nisin immunity protein [Lactococcus lactis subsp. lactis KF147]" 100.00 245 97.69 99.23 9.06e-84 REF WP_012897848 "nisin immunity protein [Lactococcus lactis]" 100.00 245 97.69 99.23 9.06e-84 REF WP_014570409 "nisin immunity protein [Lactococcus lactis]" 100.00 245 100.00 100.00 2.50e-85 REF WP_015425983 "encodes a protein involved in immunity against nisin [Lactococcus lactis]" 100.00 245 100.00 100.00 2.01e-85 REF WP_017864237 "Nisin immunity protein [Lactococcus lactis]" 100.00 245 99.23 99.23 9.62e-85 REF WP_039114828 "immunity protein [Lactococcus lactis]" 100.00 245 99.23 100.00 6.43e-85 SP P42708 "RecName: Full=Nisin immunity protein; Flags: Precursor [Lactococcus lactis subsp. lactis]" 100.00 245 100.00 100.00 2.50e-85 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 . pET11a-SUMO 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' DSS 30 uM 'natural abundance' $NisI 400 uM [U-15N] H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_15N13C _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' DSS 30 uM 'natural abundance' $NisI 400 uM '[U-13C; U-15N]' 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_2D_1H-13C_HSQC_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $15N13C save_ save_2D_1H-13C_HSQC_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $15N13C save_ save_3D_CBCA(CO)NH_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $15N13C save_ save_3D_HNCO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $15N13C save_ save_3D_HNCACB_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $15N13C save_ save_3D_HBHA(CO)NH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $15N13C save_ save_3D_H(CCO)NH_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $15N13C save_ save_3D_C(CO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $15N13C save_ save_3D_1H-15N_NOESY_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $15N save_ save_3D_1H-13C_NOESY_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $15N13C save_ save_3D_1H-13C_NOESY_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $15N13C save_ save_3D_HNCACO_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACO' _Sample_label $15N13C 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' 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' '2D 1H-13C HSQC aromatic' '3D CBCA(CO)NH' '3D HNCO' '3D HNCACB' '3D HBHA(CO)NH' '3D H(CCO)NH' '3D C(CO)NH' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D HNCACO' stop_ loop_ _Sample_label $15N $15N13C stop_ _Sample_conditions_label $sample_conditions_1 _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 98 2 ASP HA H 4.692 0.05 1 2 98 2 ASP HB2 H 2.720 0.05 2 3 98 2 ASP HB3 H 2.656 0.05 2 4 98 2 ASP C C 176.394 0.20 1 5 98 2 ASP CA C 54.370 0.20 1 6 98 2 ASP CB C 41.171 0.20 1 7 99 3 LYS H H 8.499 0.05 1 8 99 3 LYS HA H 4.265 0.05 1 9 99 3 LYS HB2 H 1.881 0.05 2 10 99 3 LYS HB3 H 1.787 0.05 2 11 99 3 LYS HG2 H 1.442 0.05 1 12 99 3 LYS HG3 H 1.442 0.05 1 13 99 3 LYS HD2 H 1.676 0.05 1 14 99 3 LYS HD3 H 1.676 0.05 1 15 99 3 LYS HE2 H 2.990 0.05 1 16 99 3 LYS HE3 H 2.990 0.05 1 17 99 3 LYS C C 177.405 0.20 1 18 99 3 LYS CA C 56.976 0.20 1 19 99 3 LYS CB C 32.693 0.20 1 20 99 3 LYS CG C 24.746 0.20 1 21 99 3 LYS CD C 29.010 0.20 1 22 99 3 LYS CE C 42.025 0.20 1 23 99 3 LYS N N 122.390 0.30 1 24 100 4 GLY H H 8.495 0.05 1 25 100 4 GLY HA2 H 3.923 0.05 1 26 100 4 GLY HA3 H 3.923 0.05 1 27 100 4 GLY C C 173.815 0.20 1 28 100 4 GLY CA C 45.486 0.20 1 29 100 4 GLY N N 109.651 0.30 1 30 101 5 ALA H H 8.055 0.05 1 31 101 5 ALA HA H 4.319 0.05 1 32 101 5 ALA HB H 1.394 0.05 1 33 101 5 ALA C C 178.104 0.20 1 34 101 5 ALA CA C 52.763 0.20 1 35 101 5 ALA CB C 19.263 0.20 1 36 101 5 ALA N N 123.889 0.30 1 37 102 6 VAL H H 8.051 0.05 1 38 102 6 VAL HA H 4.016 0.05 1 39 102 6 VAL HB H 2.072 0.05 1 40 102 6 VAL HG1 H 0.936 0.05 1 41 102 6 VAL HG2 H 0.936 0.05 1 42 102 6 VAL C C 176.625 0.20 1 43 102 6 VAL CA C 62.896 0.20 1 44 102 6 VAL CB C 32.600 0.20 1 45 102 6 VAL CG1 C 21.172 0.20 1 46 102 6 VAL N N 119.472 0.30 1 47 103 7 LYS H H 8.313 0.05 1 48 103 7 LYS HA H 4.254 0.05 1 49 103 7 LYS HB2 H 1.866 0.05 2 50 103 7 LYS HB3 H 1.785 0.05 2 51 103 7 LYS HG2 H 1.437 0.05 1 52 103 7 LYS HG3 H 1.437 0.05 1 53 103 7 LYS HD2 H 1.677 0.05 1 54 103 7 LYS HD3 H 1.677 0.05 1 55 103 7 LYS HE2 H 2.991 0.05 1 56 103 7 LYS HE3 H 2.991 0.05 1 57 103 7 LYS C C 176.515 0.20 1 58 103 7 LYS CA C 56.931 0.20 1 59 103 7 LYS CB C 32.685 0.20 1 60 103 7 LYS CG C 24.675 0.20 1 61 103 7 LYS CD C 29.098 0.20 1 62 103 7 LYS CE C 42.025 0.20 1 63 103 7 LYS N N 124.993 0.30 1 64 104 8 ALA H H 8.204 0.05 1 65 104 8 ALA HA H 4.265 0.05 1 66 104 8 ALA HB H 1.385 0.05 1 67 104 8 ALA C C 177.816 0.20 1 68 104 8 ALA CA C 52.716 0.20 1 69 104 8 ALA CB C 19.120 0.20 1 70 104 8 ALA N N 124.495 0.30 1 71 105 9 LEU H H 8.101 0.05 1 72 105 9 LEU HA H 4.272 0.05 1 73 105 9 LEU HB2 H 1.658 0.05 2 74 105 9 LEU HB3 H 1.581 0.05 2 75 105 9 LEU HD1 H 0.922 0.05 2 76 105 9 LEU HD2 H 0.873 0.05 2 77 105 9 LEU C C 177.521 0.20 1 78 105 9 LEU CA C 55.458 0.20 1 79 105 9 LEU CB C 42.317 0.20 1 80 105 9 LEU CD1 C 24.999 0.20 1 81 105 9 LEU CD2 C 23.424 0.20 1 82 105 9 LEU N N 121.309 0.30 1 83 106 10 ARG H H 8.232 0.05 1 84 106 10 ARG HA H 4.319 0.05 1 85 106 10 ARG HB2 H 1.819 0.05 1 86 106 10 ARG HB3 H 1.819 0.05 1 87 106 10 ARG HG2 H 1.587 0.05 1 88 106 10 ARG HG3 H 1.632 0.05 1 89 106 10 ARG HD2 H 3.186 0.05 1 90 106 10 ARG HD3 H 3.186 0.05 1 91 106 10 ARG CA C 56.278 0.20 1 92 106 10 ARG CB C 30.639 0.20 1 93 106 10 ARG CG C 27.147 0.20 1 94 106 10 ARG CD C 43.419 0.20 1 95 106 10 ARG N N 121.550 0.30 1 96 107 11 LEU H H 8.197 0.05 1 97 107 11 LEU HA H 4.321 0.05 1 98 107 11 LEU HB2 H 1.659 0.05 2 99 107 11 LEU HB3 H 1.591 0.05 2 100 107 11 LEU HD1 H 0.873 0.05 2 101 107 11 LEU HD2 H 0.918 0.05 2 102 107 11 LEU C C 177.078 0.20 1 103 107 11 LEU CA C 55.279 0.20 1 104 107 11 LEU CB C 42.319 0.20 1 105 107 11 LEU CD1 C 23.903 0.20 1 106 107 11 LEU CD2 C 24.534 0.20 1 107 107 11 LEU N N 122.855 0.30 1 108 108 12 GLN H H 8.232 0.05 1 109 108 12 GLN HA H 4.250 0.05 1 110 108 12 GLN HB2 H 1.977 0.05 2 111 108 12 GLN HB3 H 1.911 0.05 2 112 108 12 GLN HG2 H 2.268 0.05 1 113 108 12 GLN HG3 H 2.268 0.05 1 114 108 12 GLN HE21 H 7.137 0.05 1 115 108 12 GLN HE22 H 6.738 0.05 1 116 108 12 GLN C C 175.187 0.20 1 117 108 12 GLN CA C 55.802 0.20 1 118 108 12 GLN CB C 29.548 0.20 1 119 108 12 GLN CG C 33.686 0.20 1 120 108 12 GLN N N 120.212 0.30 1 121 108 12 GLN NE2 N 113.527 0.30 1 122 109 13 ASN H H 8.293 0.05 1 123 109 13 ASN HA H 4.643 0.05 1 124 109 13 ASN HB2 H 2.764 0.05 2 125 109 13 ASN HB3 H 2.683 0.05 2 126 109 13 ASN HD21 H 7.566 0.05 1 127 109 13 ASN HD22 H 6.862 0.05 1 128 109 13 ASN C C 174.744 0.20 1 129 109 13 ASN CA C 53.118 0.20 1 130 109 13 ASN CB C 38.856 0.20 1 131 109 13 ASN N N 119.229 0.30 1 132 109 13 ASN ND2 N 112.768 0.30 1 133 110 14 PHE H H 8.126 0.05 1 134 110 14 PHE HA H 4.613 0.05 1 135 110 14 PHE HB2 H 3.191 0.05 2 136 110 14 PHE HB3 H 3.002 0.05 2 137 110 14 PHE HD1 H 7.247 0.05 3 138 110 14 PHE HD2 H 7.247 0.05 3 139 110 14 PHE C C 175.220 0.20 1 140 110 14 PHE CA C 57.870 0.20 1 141 110 14 PHE CB C 39.607 0.20 1 142 110 14 PHE CD1 C 131.885 0.20 3 143 110 14 PHE CD2 C 131.885 0.20 3 144 110 14 PHE N N 120.374 0.30 1 145 111 15 ASP H H 8.336 0.05 1 146 111 15 ASP HA H 4.636 0.05 1 147 111 15 ASP HB2 H 2.708 0.05 2 148 111 15 ASP HB3 H 2.590 0.05 2 149 111 15 ASP C C 176.153 0.20 1 150 111 15 ASP CA C 54.401 0.20 1 151 111 15 ASP CB C 41.166 0.20 1 152 111 15 ASP N N 121.757 0.30 1 153 112 16 VAL H H 8.071 0.05 1 154 112 16 VAL HA H 4.199 0.05 1 155 112 16 VAL HB H 2.175 0.05 1 156 112 16 VAL HG1 H 0.957 0.05 1 157 112 16 VAL HG2 H 0.957 0.05 1 158 112 16 VAL C C 176.448 0.20 1 159 112 16 VAL CA C 62.368 0.20 1 160 112 16 VAL CB C 32.655 0.20 1 161 112 16 VAL CG1 C 20.263 0.20 1 162 112 16 VAL CG2 C 20.263 0.20 1 163 112 16 VAL N N 119.947 0.30 1 164 113 17 THR H H 8.285 0.05 1 165 113 17 THR HA H 4.394 0.05 1 166 113 17 THR HB H 4.261 0.05 1 167 113 17 THR HG2 H 1.221 0.05 1 168 113 17 THR C C 174.623 0.20 1 169 113 17 THR CA C 61.961 0.20 1 170 113 17 THR CB C 69.745 0.20 1 171 113 17 THR CG2 C 21.610 0.20 1 172 113 17 THR N N 116.901 0.30 1 173 114 18 SER H H 8.213 0.05 1 174 114 18 SER HA H 4.480 0.05 1 175 114 18 SER HB2 H 3.819 0.05 1 176 114 18 SER HB3 H 3.819 0.05 1 177 114 18 SER C C 174.020 0.20 1 178 114 18 SER CA C 58.114 0.20 1 179 114 18 SER CB C 64.094 0.20 1 180 114 18 SER N N 117.913 0.30 1 181 115 19 ASP H H 8.384 0.05 1 182 115 19 ASP HA H 4.637 0.05 1 183 115 19 ASP HB2 H 2.712 0.05 2 184 115 19 ASP HB3 H 2.590 0.05 2 185 115 19 ASP C C 175.965 0.20 1 186 115 19 ASP CA C 54.319 0.20 1 187 115 19 ASP CB C 41.116 0.20 1 188 115 19 ASP N N 122.728 0.30 1 189 116 20 ILE H H 8.040 0.05 1 190 116 20 ILE HA H 4.213 0.05 1 191 116 20 ILE HB H 1.874 0.05 1 192 116 20 ILE HG12 H 1.447 0.05 2 193 116 20 ILE HG13 H 1.170 0.05 2 194 116 20 ILE HG2 H 0.893 0.05 1 195 116 20 ILE HD1 H 0.839 0.05 1 196 116 20 ILE C C 176.113 0.20 1 197 116 20 ILE CA C 61.008 0.20 1 198 116 20 ILE CB C 38.904 0.20 1 199 116 20 ILE CG1 C 27.162 0.20 1 200 116 20 ILE CG2 C 17.545 0.20 1 201 116 20 ILE CD1 C 13.005 0.20 1 202 116 20 ILE N N 120.615 0.30 1 203 117 21 SER H H 8.373 0.05 1 204 117 21 SER HA H 4.471 0.05 1 205 117 21 SER HB2 H 3.869 0.05 2 206 117 21 SER HB3 H 3.811 0.05 2 207 117 21 SER C C 174.447 0.20 1 208 117 21 SER CA C 58.096 0.20 1 209 117 21 SER CB C 63.956 0.20 1 210 117 21 SER N N 120.205 0.30 1 211 118 22 ASP H H 8.390 0.05 1 212 118 22 ASP HA H 4.575 0.05 1 213 118 22 ASP HB2 H 2.666 0.05 2 214 118 22 ASP HB3 H 2.575 0.05 2 215 118 22 ASP C C 175.522 0.20 1 216 118 22 ASP CA C 54.840 0.20 1 217 118 22 ASP CB C 40.904 0.20 1 218 118 22 ASP N N 123.180 0.30 1 219 119 23 ASP H H 8.150 0.05 1 220 119 23 ASP HA H 4.459 0.05 1 221 119 23 ASP HB2 H 2.566 0.05 1 222 119 23 ASP HB3 H 2.566 0.05 1 223 119 23 ASP C C 175.133 0.20 1 224 119 23 ASP CA C 54.039 0.20 1 225 119 23 ASP CB C 40.766 0.20 1 226 119 23 ASP N N 119.353 0.30 1 227 120 24 ASN H H 8.000 0.05 1 228 120 24 ASN HA H 4.760 0.05 1 229 120 24 ASN HB2 H 2.686 0.05 1 230 120 24 ASN HB3 H 2.686 0.05 1 231 120 24 ASN HD21 H 7.712 0.05 1 232 120 24 ASN HD22 H 6.948 0.05 1 233 120 24 ASN C C 174.033 0.20 1 234 120 24 ASN CA C 53.114 0.20 1 235 120 24 ASN CB C 40.400 0.20 1 236 120 24 ASN N N 117.615 0.30 1 237 120 24 ASN ND2 N 113.461 0.30 1 238 121 25 PHE H H 8.408 0.05 1 239 121 25 PHE HA H 4.696 0.05 1 240 121 25 PHE HB2 H 2.700 0.05 2 241 121 25 PHE HB3 H 2.235 0.05 2 242 121 25 PHE HD1 H 6.518 0.05 3 243 121 25 PHE HD2 H 6.518 0.05 3 244 121 25 PHE C C 175.147 0.20 1 245 121 25 PHE CA C 57.500 0.20 1 246 121 25 PHE CB C 40.380 0.20 1 247 121 25 PHE CD1 C 131.092 0.20 3 248 121 25 PHE CD2 C 131.092 0.20 3 249 121 25 PHE N N 120.004 0.30 1 250 122 26 VAL H H 8.431 0.05 1 251 122 26 VAL HA H 4.383 0.05 1 252 122 26 VAL HB H 2.023 0.05 1 253 122 26 VAL HG1 H 0.892 0.05 1 254 122 26 VAL C C 175.039 0.20 1 255 122 26 VAL CA C 60.225 0.20 1 256 122 26 VAL CB C 36.131 0.20 1 257 122 26 VAL CG1 C 21.162 0.20 1 258 122 26 VAL N N 120.454 0.30 1 259 123 27 ILE H H 8.847 0.05 1 260 123 27 ILE HA H 3.974 0.05 1 261 123 27 ILE HB H 1.353 0.05 1 262 123 27 ILE HG12 H 0.873 0.05 1 263 123 27 ILE HG13 H 0.873 0.05 1 264 123 27 ILE HG2 H 0.906 0.05 1 265 123 27 ILE HD1 H -0.139 0.05 1 266 123 27 ILE C C 176.095 0.20 1 267 123 27 ILE CA C 63.173 0.20 1 268 123 27 ILE CB C 38.205 0.20 1 269 123 27 ILE CG1 C 28.606 0.20 1 270 123 27 ILE CG2 C 17.809 0.20 1 271 123 27 ILE CD1 C 12.961 0.20 1 272 123 27 ILE N N 127.849 0.30 1 273 124 28 ASP H H 8.702 0.05 1 274 124 28 ASP HA H 4.221 0.05 1 275 124 28 ASP HB2 H 3.571 0.05 2 276 124 28 ASP HB3 H 2.238 0.05 2 277 124 28 ASP C C 176.730 0.20 1 278 124 28 ASP CA C 55.793 0.20 1 279 124 28 ASP CB C 43.241 0.20 1 280 124 28 ASP N N 131.502 0.30 1 281 125 29 LYS H H 8.580 0.05 1 282 125 29 LYS HA H 3.964 0.05 1 283 125 29 LYS HB2 H 1.791 0.05 1 284 125 29 LYS HB3 H 1.791 0.05 1 285 125 29 LYS HG2 H 1.449 0.05 1 286 125 29 LYS HG3 H 1.449 0.05 1 287 125 29 LYS HD2 H 1.683 0.05 1 288 125 29 LYS HD3 H 1.683 0.05 1 289 125 29 LYS HE2 H 3.000 0.05 1 290 125 29 LYS HE3 H 3.000 0.05 1 291 125 29 LYS C C 177.181 0.20 1 292 125 29 LYS CA C 58.598 0.20 1 293 125 29 LYS CB C 32.528 0.20 1 294 125 29 LYS CG C 24.702 0.20 1 295 125 29 LYS CD C 29.137 0.20 1 296 125 29 LYS CE C 42.114 0.20 1 297 125 29 LYS N N 123.744 0.30 1 298 126 30 ASN H H 8.442 0.05 1 299 126 30 ASN HA H 4.809 0.05 1 300 126 30 ASN HB2 H 2.764 0.05 1 301 126 30 ASN HB3 H 2.764 0.05 1 302 126 30 ASN HD21 H 7.031 0.05 1 303 126 30 ASN HD22 H 7.914 0.05 1 304 126 30 ASN C C 174.802 0.20 1 305 126 30 ASN CA C 54.073 0.20 1 306 126 30 ASN CB C 40.298 0.20 1 307 126 30 ASN N N 116.501 0.30 1 308 126 30 ASN ND2 N 115.567 0.30 1 309 127 31 ASP H H 7.869 0.05 1 310 127 31 ASP HA H 4.420 0.05 1 311 127 31 ASP HB2 H 2.480 0.05 2 312 127 31 ASP HB3 H 2.618 0.05 2 313 127 31 ASP C C 174.919 0.20 1 314 127 31 ASP CA C 53.138 0.20 1 315 127 31 ASP CB C 42.119 0.20 1 316 127 31 ASP N N 119.894 0.30 1 317 128 32 SER H H 8.580 0.05 1 318 128 32 SER HA H 4.153 0.05 1 319 128 32 SER HB2 H 3.747 0.05 2 320 128 32 SER HB3 H 3.633 0.05 2 321 128 32 SER C C 172.732 0.20 1 322 128 32 SER CA C 60.865 0.20 1 323 128 32 SER CB C 63.408 0.20 1 324 128 32 SER N N 119.315 0.30 1 325 129 33 ARG H H 8.179 0.05 1 326 129 33 ARG HA H 4.610 0.05 1 327 129 33 ARG HB2 H 2.321 0.05 1 328 129 33 ARG HB3 H 2.321 0.05 1 329 129 33 ARG HD2 H 3.161 0.05 1 330 129 33 ARG HD3 H 3.161 0.05 1 331 129 33 ARG HE H 7.966 0.05 1 332 129 33 ARG C C 174.167 0.20 1 333 129 33 ARG CA C 55.427 0.20 1 334 129 33 ARG CB C 29.181 0.20 1 335 129 33 ARG CD C 43.279 0.20 1 336 129 33 ARG N N 116.945 0.30 1 337 129 33 ARG NE N 117.988 0.30 1 338 130 34 LYS H H 8.027 0.05 1 339 130 34 LYS HA H 5.624 0.05 1 340 130 34 LYS HB2 H 1.732 0.05 2 341 130 34 LYS HB3 H 1.912 0.05 2 342 130 34 LYS HG2 H 1.211 0.05 2 343 130 34 LYS HG3 H 1.274 0.05 2 344 130 34 LYS HD2 H 1.580 0.05 1 345 130 34 LYS HD3 H 1.580 0.05 1 346 130 34 LYS HE2 H 2.880 0.05 1 347 130 34 LYS HE3 H 2.880 0.05 1 348 130 34 LYS C C 174.543 0.20 1 349 130 34 LYS CA C 54.067 0.20 1 350 130 34 LYS CB C 36.084 0.20 1 351 130 34 LYS CG C 26.271 0.20 1 352 130 34 LYS CD C 29.361 0.20 1 353 130 34 LYS CE C 42.469 0.20 1 354 130 34 LYS N N 119.357 0.30 1 355 131 35 ILE H H 9.093 0.05 1 356 131 35 ILE HA H 4.887 0.05 1 357 131 35 ILE HB H 1.877 0.05 1 358 131 35 ILE HG2 H 1.112 0.05 1 359 131 35 ILE HD1 H 0.917 0.05 1 360 131 35 ILE C C 174.208 0.20 1 361 131 35 ILE CA C 57.835 0.20 1 362 131 35 ILE CB C 42.292 0.20 1 363 131 35 ILE CG2 C 18.316 0.20 1 364 131 35 ILE CD1 C 13.305 0.20 1 365 131 35 ILE N N 119.593 0.30 1 366 132 36 ASP H H 9.795 0.05 1 367 132 36 ASP HA H 5.694 0.05 1 368 132 36 ASP HB2 H 2.794 0.05 2 369 132 36 ASP HB3 H 3.005 0.05 2 370 132 36 ASP C C 174.945 0.20 1 371 132 36 ASP CA C 52.014 0.20 1 372 132 36 ASP CB C 40.422 0.20 1 373 132 36 ASP N N 127.357 0.30 1 374 133 37 TYR H H 8.865 0.05 1 375 133 37 TYR HA H 4.728 0.05 1 376 133 37 TYR HB2 H 2.847 0.05 2 377 133 37 TYR HB3 H 2.680 0.05 2 378 133 37 TYR HD1 H 6.212 0.05 3 379 133 37 TYR HD2 H 6.212 0.05 3 380 133 37 TYR HE1 H 6.030 0.05 3 381 133 37 TYR HE2 H 6.030 0.05 3 382 133 37 TYR C C 174.874 0.20 1 383 133 37 TYR CA C 58.258 0.20 1 384 133 37 TYR CB C 40.769 0.20 1 385 133 37 TYR CD1 C 132.305 0.20 3 386 133 37 TYR CD2 C 132.305 0.20 3 387 133 37 TYR CE1 C 117.992 0.20 3 388 133 37 TYR CE2 C 117.992 0.20 3 389 133 37 TYR N N 124.149 0.30 1 390 134 38 MET H H 8.859 0.05 1 391 134 38 MET HA H 3.695 0.05 1 392 134 38 MET HB2 H 1.219 0.05 2 393 134 38 MET HB3 H 1.864 0.05 2 394 134 38 MET HG2 H 1.432 0.05 2 395 134 38 MET HG3 H 1.516 0.05 2 396 134 38 MET HE H 1.830 0.05 1 397 134 38 MET C C 175.388 0.20 1 398 134 38 MET CA C 55.797 0.20 1 399 134 38 MET CB C 30.284 0.20 1 400 134 38 MET CG C 32.237 0.20 1 401 134 38 MET CE C 16.553 0.20 1 402 134 38 MET N N 127.425 0.30 1 403 135 39 GLY H H 8.819 0.05 1 404 135 39 GLY HA2 H 3.577 0.05 2 405 135 39 GLY HA3 H 4.087 0.05 2 406 135 39 GLY C C 173.806 0.20 1 407 135 39 GLY CA C 45.560 0.20 1 408 135 39 GLY N N 105.078 0.30 1 409 136 40 ASN H H 8.270 0.05 1 410 136 40 ASN HA H 5.100 0.05 1 411 136 40 ASN HB2 H 3.115 0.05 2 412 136 40 ASN HB3 H 2.376 0.05 2 413 136 40 ASN HD21 H 7.549 0.05 1 414 136 40 ASN HD22 H 7.182 0.05 1 415 136 40 ASN C C 173.349 0.20 1 416 136 40 ASN CA C 51.308 0.20 1 417 136 40 ASN CB C 42.306 0.20 1 418 136 40 ASN N N 118.656 0.30 1 419 136 40 ASN ND2 N 114.915 0.30 1 420 137 41 ILE H H 8.741 0.05 1 421 137 41 ILE HA H 4.986 0.05 1 422 137 41 ILE HB H 1.638 0.05 1 423 137 41 ILE HG12 H 1.222 0.05 2 424 137 41 ILE HG13 H 1.515 0.05 2 425 137 41 ILE HG2 H 0.902 0.05 1 426 137 41 ILE HD1 H 0.828 0.05 1 427 137 41 ILE C C 174.033 0.20 1 428 137 41 ILE CA C 60.535 0.20 1 429 137 41 ILE CB C 39.978 0.20 1 430 137 41 ILE CG1 C 27.387 0.20 1 431 137 41 ILE CG2 C 18.475 0.20 1 432 137 41 ILE CD1 C 12.858 0.20 1 433 137 41 ILE N N 122.068 0.30 1 434 138 42 TYR H H 9.607 0.05 1 435 138 42 TYR HA H 4.957 0.05 1 436 138 42 TYR HB2 H 2.884 0.05 2 437 138 42 TYR HB3 H 2.067 0.05 2 438 138 42 TYR HD1 H 6.391 0.05 3 439 138 42 TYR HD2 H 6.391 0.05 3 440 138 42 TYR C C 175.501 0.20 1 441 138 42 TYR CA C 56.078 0.20 1 442 138 42 TYR CB C 40.734 0.20 1 443 138 42 TYR CD1 C 127.451 0.20 3 444 138 42 TYR CD2 C 127.451 0.20 3 445 138 42 TYR N N 125.112 0.30 1 446 139 43 SER H H 8.956 0.05 1 447 139 43 SER HA H 4.874 0.05 1 448 139 43 SER HB2 H 3.794 0.05 2 449 139 43 SER HB3 H 3.692 0.05 2 450 139 43 SER C C 174.784 0.20 1 451 139 43 SER CA C 56.800 0.20 1 452 139 43 SER CB C 64.448 0.20 1 453 139 43 SER N N 116.895 0.30 1 454 140 44 ILE H H 8.964 0.05 1 455 140 44 ILE HA H 3.844 0.05 1 456 140 44 ILE HB H 2.108 0.05 1 457 140 44 ILE HG12 H 1.822 0.05 1 458 140 44 ILE HG13 H 1.822 0.05 1 459 140 44 ILE HG2 H 0.759 0.05 1 460 140 44 ILE HD1 H 1.163 0.05 1 461 140 44 ILE C C 175.043 0.20 1 462 140 44 ILE CA C 63.520 0.20 1 463 140 44 ILE CB C 37.591 0.20 1 464 140 44 ILE CG1 C 28.324 0.20 1 465 140 44 ILE CG2 C 18.348 0.20 1 466 140 44 ILE CD1 C 14.450 0.20 1 467 140 44 ILE N N 128.456 0.30 1 468 141 45 SER H H 8.591 0.05 1 469 141 45 SER HA H 4.786 0.05 1 470 141 45 SER HB2 H 4.332 0.05 2 471 141 45 SER HB3 H 4.189 0.05 2 472 141 45 SER C C 172.440 0.20 1 473 141 45 SER CA C 58.409 0.20 1 474 141 45 SER CB C 66.527 0.20 1 475 141 45 SER N N 126.790 0.30 1 476 142 46 ASP H H 8.253 0.05 1 477 142 46 ASP HA H 4.815 0.05 1 478 142 46 ASP HB2 H 2.851 0.05 2 479 142 46 ASP HB3 H 2.719 0.05 2 480 142 46 ASP C C 177.481 0.20 1 481 142 46 ASP CA C 53.773 0.20 1 482 142 46 ASP CB C 41.195 0.20 1 483 142 46 ASP N N 114.620 0.30 1 484 143 47 THR H H 8.523 0.05 1 485 143 47 THR HA H 4.131 0.05 1 486 143 47 THR HB H 4.126 0.05 1 487 143 47 THR HG2 H 1.190 0.05 1 488 143 47 THR C C 173.349 0.20 1 489 143 47 THR CA C 63.605 0.20 1 490 143 47 THR CB C 69.813 0.20 1 491 143 47 THR CG2 C 21.770 0.20 1 492 143 47 THR N N 121.477 0.30 1 493 144 48 THR H H 8.746 0.05 1 494 144 48 THR HA H 4.786 0.05 1 495 144 48 THR HB H 3.981 0.05 1 496 144 48 THR HG2 H 1.269 0.05 1 497 144 48 THR C C 174.463 0.20 1 498 144 48 THR CA C 63.080 0.20 1 499 144 48 THR CB C 70.216 0.20 1 500 144 48 THR CG2 C 22.203 0.20 1 501 144 48 THR N N 126.069 0.30 1 502 145 49 VAL H H 8.408 0.05 1 503 145 49 VAL HA H 3.906 0.05 1 504 145 49 VAL HB H 1.592 0.05 1 505 145 49 VAL HG1 H 0.753 0.05 2 506 145 49 VAL HG2 H 0.809 0.05 2 507 145 49 VAL C C 174.530 0.20 1 508 145 49 VAL CA C 61.757 0.20 1 509 145 49 VAL CB C 32.703 0.20 1 510 145 49 VAL CG1 C 20.938 0.20 1 511 145 49 VAL CG2 C 21.707 0.20 1 512 145 49 VAL N N 129.944 0.30 1 513 146 50 SER H H 8.652 0.05 1 514 146 50 SER HA H 4.364 0.05 1 515 146 50 SER HB2 H 4.140 0.05 2 516 146 50 SER HB3 H 3.943 0.05 2 517 146 50 SER C C 175.122 0.20 1 518 146 50 SER CA C 58.247 0.20 1 519 146 50 SER CB C 64.651 0.20 1 520 146 50 SER N N 123.783 0.30 1 521 147 51 ASP H H 8.737 0.05 1 522 147 51 ASP HA H 4.163 0.05 1 523 147 51 ASP HB2 H 2.624 0.05 1 524 147 51 ASP HB3 H 2.624 0.05 1 525 147 51 ASP C C 178.664 0.20 1 526 147 51 ASP CA C 57.603 0.20 1 527 147 51 ASP CB C 40.336 0.20 1 528 147 51 ASP N N 121.758 0.30 1 529 148 52 GLU H H 8.505 0.05 1 530 148 52 GLU HA H 4.099 0.05 1 531 148 52 GLU HB2 H 1.997 0.05 1 532 148 52 GLU HB3 H 1.997 0.05 1 533 148 52 GLU HG2 H 2.285 0.05 1 534 148 52 GLU HG3 H 2.285 0.05 1 535 148 52 GLU C C 177.213 0.20 1 536 148 52 GLU CA C 58.463 0.20 1 537 148 52 GLU CB C 29.379 0.20 1 538 148 52 GLU CG C 36.378 0.20 1 539 148 52 GLU N N 116.579 0.30 1 540 149 53 GLU H H 7.552 0.05 1 541 149 53 GLU HA H 4.204 0.05 1 542 149 53 GLU HB2 H 2.090 0.05 1 543 149 53 GLU HB3 H 2.090 0.05 1 544 149 53 GLU HG2 H 2.154 0.05 1 545 149 53 GLU HG3 H 2.154 0.05 1 546 149 53 GLU C C 175.737 0.20 1 547 149 53 GLU CA C 56.073 0.20 1 548 149 53 GLU CB C 31.584 0.20 1 549 149 53 GLU CG C 37.322 0.20 1 550 149 53 GLU N N 117.465 0.30 1 551 150 54 LEU H H 7.153 0.05 1 552 150 54 LEU HA H 3.778 0.05 1 553 150 54 LEU HB2 H 1.356 0.05 2 554 150 54 LEU HB3 H 1.405 0.05 2 555 150 54 LEU HG H 1.339 0.05 1 556 150 54 LEU HD1 H -0.093 0.05 1 557 150 54 LEU HD2 H -0.093 0.05 1 558 150 54 LEU C C 176.850 0.20 1 559 150 54 LEU CA C 56.451 0.20 1 560 150 54 LEU CB C 42.485 0.20 1 561 150 54 LEU CG C 25.423 0.20 1 562 150 54 LEU CD1 C 24.129 0.20 1 563 150 54 LEU CD2 C 24.129 0.20 1 564 150 54 LEU N N 121.402 0.30 1 565 151 55 GLY H H 8.734 0.05 1 566 151 55 GLY HA2 H 4.295 0.05 2 567 151 55 GLY HA3 H 3.342 0.05 2 568 151 55 GLY C C 174.100 0.20 1 569 151 55 GLY CA C 43.972 0.20 1 570 151 55 GLY N N 114.573 0.30 1 571 152 56 GLU H H 8.446 0.05 1 572 152 56 GLU HA H 4.356 0.05 1 573 152 56 GLU HB2 H 1.877 0.05 2 574 152 56 GLU HB3 H 2.022 0.05 2 575 152 56 GLU HG2 H 2.300 0.05 1 576 152 56 GLU HG3 H 2.300 0.05 1 577 152 56 GLU C C 176.652 0.20 1 578 152 56 GLU CA C 56.218 0.20 1 579 152 56 GLU CB C 31.552 0.20 1 580 152 56 GLU CG C 36.278 0.20 1 581 152 56 GLU N N 123.263 0.30 1 582 153 57 TYR H H 8.765 0.05 1 583 153 57 TYR HA H 2.740 0.05 1 584 153 57 TYR HB2 H 2.693 0.05 1 585 153 57 TYR HB3 H 2.693 0.05 1 586 153 57 TYR HD1 H 6.727 0.05 3 587 153 57 TYR HD2 H 6.727 0.05 3 588 153 57 TYR HE1 H 6.578 0.05 3 589 153 57 TYR HE2 H 6.578 0.05 3 590 153 57 TYR C C 174.087 0.20 1 591 153 57 TYR CA C 59.757 0.20 1 592 153 57 TYR CB C 39.116 0.20 1 593 153 57 TYR CD1 C 132.627 0.20 3 594 153 57 TYR CD2 C 132.627 0.20 3 595 153 57 TYR CE1 C 118.209 0.20 3 596 153 57 TYR CE2 C 118.209 0.20 3 597 153 57 TYR N N 125.591 0.30 1 598 154 58 GLN H H 8.354 0.05 1 599 154 58 GLN HA H 4.285 0.05 1 600 154 58 GLN HB2 H 1.908 0.05 1 601 154 58 GLN HB3 H 1.908 0.05 1 602 154 58 GLN C C 174.234 0.20 1 603 154 58 GLN CA C 55.217 0.20 1 604 154 58 GLN CB C 32.706 0.20 1 605 154 58 GLN N N 123.265 0.30 1 606 155 59 ASP H H 7.074 0.05 1 607 155 59 ASP HA H 4.362 0.05 1 608 155 59 ASP HB2 H 2.042 0.05 2 609 155 59 ASP HB3 H 2.603 0.05 2 610 155 59 ASP C C 172.719 0.20 1 611 155 59 ASP CA C 52.763 0.20 1 612 155 59 ASP CB C 44.028 0.20 1 613 155 59 ASP N N 115.366 0.30 1 614 156 60 VAL H H 9.657 0.05 1 615 156 60 VAL HA H 4.686 0.05 1 616 156 60 VAL HB H 2.356 0.05 1 617 156 60 VAL HG1 H 1.047 0.05 1 618 156 60 VAL HG2 H 1.047 0.05 1 619 156 60 VAL C C 173.262 0.20 1 620 156 60 VAL CA C 59.981 0.20 1 621 156 60 VAL CB C 34.771 0.20 1 622 156 60 VAL CG1 C 21.977 0.20 1 623 156 60 VAL CG2 C 19.261 0.20 1 624 156 60 VAL N N 117.417 0.30 1 625 157 61 LEU H H 8.445 0.05 1 626 157 61 LEU HA H 4.406 0.05 1 627 157 61 LEU HB2 H 1.873 0.05 2 628 157 61 LEU HB3 H 1.175 0.05 2 629 157 61 LEU HG H 1.172 0.05 1 630 157 61 LEU HD1 H 0.777 0.05 2 631 157 61 LEU HD2 H 0.814 0.05 2 632 157 61 LEU C C 176.448 0.20 1 633 157 61 LEU CA C 56.269 0.20 1 634 157 61 LEU CB C 42.117 0.20 1 635 157 61 LEU CG C 27.130 0.20 1 636 157 61 LEU CD1 C 23.193 0.20 1 637 157 61 LEU CD2 C 26.928 0.20 1 638 157 61 LEU N N 127.623 0.30 1 639 158 62 ALA H H 7.714 0.05 1 640 158 62 ALA HA H 4.357 0.05 1 641 158 62 ALA HB H 1.411 0.05 1 642 158 62 ALA C C 176.206 0.20 1 643 158 62 ALA CA C 52.649 0.20 1 644 158 62 ALA CB C 16.651 0.20 1 645 158 62 ALA N N 120.945 0.30 1 646 159 63 GLU H H 7.705 0.05 1 647 159 63 GLU HA H 4.951 0.05 1 648 159 63 GLU HB2 H 1.575 0.05 2 649 159 63 GLU HB3 H 1.961 0.05 2 650 159 63 GLU HG2 H 2.204 0.05 1 651 159 63 GLU HG3 H 2.204 0.05 1 652 159 63 GLU C C 174.369 0.20 1 653 159 63 GLU CA C 54.672 0.20 1 654 159 63 GLU CB C 35.717 0.20 1 655 159 63 GLU CG C 36.427 0.20 1 656 159 63 GLU N N 116.259 0.30 1 657 160 64 VAL H H 8.592 0.05 1 658 160 64 VAL HA H 5.656 0.05 1 659 160 64 VAL HB H 2.105 0.05 1 660 160 64 VAL HG1 H 0.937 0.05 2 661 160 64 VAL HG2 H 1.066 0.05 2 662 160 64 VAL C C 177.414 0.20 1 663 160 64 VAL CA C 60.790 0.20 1 664 160 64 VAL CB C 35.407 0.20 1 665 160 64 VAL CG1 C 21.059 0.20 1 666 160 64 VAL CG2 C 21.606 0.20 1 667 160 64 VAL N N 121.307 0.30 1 668 161 65 ARG H H 9.349 0.05 1 669 161 65 ARG HA H 5.022 0.05 1 670 161 65 ARG HB2 H 2.608 0.05 2 671 161 65 ARG HB3 H 1.944 0.05 2 672 161 65 ARG C C 174.033 0.20 1 673 161 65 ARG CA C 54.493 0.20 1 674 161 65 ARG CB C 34.814 0.20 1 675 161 65 ARG N N 123.721 0.30 1 676 162 66 VAL H H 8.136 0.05 1 677 162 66 VAL HA H 4.737 0.05 1 678 162 66 VAL HB H 1.352 0.05 1 679 162 66 VAL HG1 H 0.422 0.05 2 680 162 66 VAL HG2 H -0.014 0.05 2 681 162 66 VAL C C 175.187 0.20 1 682 162 66 VAL CA C 61.031 0.20 1 683 162 66 VAL CB C 32.695 0.20 1 684 162 66 VAL CG1 C 21.228 0.20 1 685 162 66 VAL CG2 C 20.320 0.20 1 686 162 66 VAL N N 122.098 0.30 1 687 163 67 PHE H H 8.786 0.05 1 688 163 67 PHE HA H 5.348 0.05 1 689 163 67 PHE HB2 H 2.478 0.05 1 690 163 67 PHE HB3 H 2.479 0.05 1 691 163 67 PHE HD1 H 6.641 0.05 3 692 163 67 PHE HD2 H 6.641 0.05 3 693 163 67 PHE HE1 H 6.399 0.05 3 694 163 67 PHE HE2 H 6.399 0.05 3 695 163 67 PHE C C 173.378 0.20 1 696 163 67 PHE CA C 54.425 0.20 1 697 163 67 PHE CB C 42.579 0.20 1 698 163 67 PHE CD1 C 132.484 0.20 3 699 163 67 PHE CD2 C 132.484 0.20 3 700 163 67 PHE CE1 C 130.028 0.20 3 701 163 67 PHE CE2 C 130.028 0.20 3 702 163 67 PHE N N 122.062 0.30 1 703 164 68 ASP H H 8.487 0.05 1 704 164 68 ASP HA H 4.648 0.05 1 705 164 68 ASP HB2 H 2.659 0.05 1 706 164 68 ASP HB3 H 2.659 0.05 1 707 164 68 ASP C C 177.575 0.20 1 708 164 68 ASP CA C 54.439 0.20 1 709 164 68 ASP CB C 42.934 0.20 1 710 164 68 ASP N N 120.338 0.30 1 711 165 69 SER H H 8.571 0.05 1 712 165 69 SER HA H 3.887 0.05 1 713 165 69 SER HB2 H 3.749 0.05 2 714 165 69 SER HB3 H 3.641 0.05 2 715 165 69 SER C C 174.758 0.20 1 716 165 69 SER CA C 61.406 0.20 1 717 165 69 SER CB C 63.364 0.20 1 718 165 69 SER N N 123.686 0.30 1 719 166 70 VAL H H 8.345 0.05 1 720 166 70 VAL HA H 3.945 0.05 1 721 166 70 VAL HB H 2.196 0.05 1 722 166 70 VAL HG1 H 0.985 0.05 2 723 166 70 VAL HG2 H 0.926 0.05 2 724 166 70 VAL C C 177.400 0.20 1 725 166 70 VAL CA C 64.701 0.20 1 726 166 70 VAL CB C 32.106 0.20 1 727 166 70 VAL CG1 C 22.004 0.20 1 728 166 70 VAL CG2 C 20.793 0.20 1 729 166 70 VAL N N 119.555 0.30 1 730 167 71 SER H H 8.287 0.05 1 731 167 71 SER HA H 4.501 0.05 1 732 167 71 SER HB2 H 4.054 0.05 2 733 167 71 SER HB3 H 3.871 0.05 2 734 167 71 SER C C 176.166 0.20 1 735 167 71 SER CA C 58.787 0.20 1 736 167 71 SER CB C 65.727 0.20 1 737 167 71 SER N N 113.814 0.30 1 738 168 72 GLY H H 8.688 0.05 1 739 168 72 GLY HA2 H 4.483 0.05 2 740 168 72 GLY HA3 H 3.444 0.05 2 741 168 72 GLY C C 174.395 0.20 1 742 168 72 GLY CA C 45.469 0.20 1 743 168 72 GLY N N 111.056 0.30 1 744 169 73 LYS H H 8.147 0.05 1 745 169 73 LYS HA H 4.319 0.05 1 746 169 73 LYS HB2 H 1.845 0.05 1 747 169 73 LYS HB3 H 1.845 0.05 1 748 169 73 LYS HG2 H 1.554 0.05 1 749 169 73 LYS HG3 H 1.554 0.05 1 750 169 73 LYS HE2 H 3.082 0.05 1 751 169 73 LYS HE3 H 3.082 0.05 1 752 169 73 LYS C C 176.998 0.20 1 753 169 73 LYS CA C 57.173 0.20 1 754 169 73 LYS CB C 33.100 0.20 1 755 169 73 LYS CG C 25.024 0.20 1 756 169 73 LYS CE C 42.506 0.20 1 757 169 73 LYS N N 123.259 0.30 1 758 170 74 SER H H 8.991 0.05 1 759 170 74 SER HA H 4.555 0.05 1 760 170 74 SER HB2 H 4.076 0.05 2 761 170 74 SER HB3 H 3.998 0.05 2 762 170 74 SER C C 174.154 0.20 1 763 170 74 SER CA C 59.311 0.20 1 764 170 74 SER CB C 63.818 0.20 1 765 170 74 SER N N 121.700 0.30 1 766 171 75 ILE H H 8.878 0.05 1 767 171 75 ILE HA H 4.690 0.05 1 768 171 75 ILE HB H 1.857 0.05 1 769 171 75 ILE HG2 H 1.112 0.05 1 770 171 75 ILE HD1 H 0.755 0.05 1 771 171 75 ILE C C 174.704 0.20 1 772 171 75 ILE CA C 57.607 0.20 1 773 171 75 ILE CB C 39.152 0.20 1 774 171 75 ILE CG2 C 17.369 0.20 1 775 171 75 ILE CD1 C 12.901 0.20 1 776 171 75 ILE N N 126.076 0.30 1 777 172 76 PRO HA H 4.502 0.05 1 778 172 76 PRO HB2 H 1.951 0.05 2 779 172 76 PRO HB3 H 2.383 0.05 2 780 172 76 PRO HG2 H 2.045 0.05 1 781 172 76 PRO HG3 H 2.045 0.05 1 782 172 76 PRO HD2 H 3.959 0.05 2 783 172 76 PRO HD3 H 3.727 0.05 2 784 172 76 PRO C C 177.280 0.20 1 785 172 76 PRO CA C 63.190 0.20 1 786 172 76 PRO CB C 32.550 0.20 1 787 172 76 PRO CG C 27.672 0.20 1 788 172 76 PRO CD C 51.467 0.20 1 789 173 77 ARG H H 8.455 0.05 1 790 173 77 ARG HA H 2.058 0.05 1 791 173 77 ARG HB2 H 1.260 0.05 2 792 173 77 ARG HB3 H 1.311 0.05 2 793 173 77 ARG HG2 H 0.824 0.05 1 794 173 77 ARG HG3 H 0.824 0.05 1 795 173 77 ARG HD2 H 2.669 0.05 1 796 173 77 ARG HD3 H 2.669 0.05 1 797 173 77 ARG C C 178.144 0.20 1 798 173 77 ARG CA C 57.961 0.20 1 799 173 77 ARG CB C 29.835 0.20 1 800 173 77 ARG CG C 27.082 0.20 1 801 173 77 ARG CD C 42.815 0.20 1 802 173 77 ARG N N 123.073 0.30 1 803 174 78 SER H H 8.155 0.05 1 804 174 78 SER HA H 4.073 0.05 1 805 174 78 SER HB2 H 3.805 0.05 1 806 174 78 SER HB3 H 3.805 0.05 1 807 174 78 SER C C 175.589 0.20 1 808 174 78 SER CA C 60.101 0.20 1 809 174 78 SER CB C 62.407 0.20 1 810 174 78 SER N N 113.179 0.30 1 811 175 79 GLU H H 8.173 0.05 1 812 175 79 GLU HA H 4.480 0.05 1 813 175 79 GLU HB2 H 2.347 0.05 2 814 175 79 GLU HB3 H 1.945 0.05 2 815 175 79 GLU HG2 H 2.156 0.05 1 816 175 79 GLU HG3 H 2.156 0.05 1 817 175 79 GLU C C 177.660 0.20 1 818 175 79 GLU CA C 55.676 0.20 1 819 175 79 GLU CB C 30.393 0.20 1 820 175 79 GLU CG C 36.093 0.20 1 821 175 79 GLU N N 119.862 0.30 1 822 176 80 TRP H H 7.851 0.05 1 823 176 80 TRP HA H 4.493 0.05 1 824 176 80 TRP HB2 H 3.266 0.05 2 825 176 80 TRP HB3 H 3.317 0.05 2 826 176 80 TRP HD1 H 6.751 0.05 1 827 176 80 TRP HE1 H 9.804 0.05 1 828 176 80 TRP HE3 H 7.549 0.05 1 829 176 80 TRP HZ2 H 7.648 0.05 1 830 176 80 TRP HZ3 H 7.096 0.05 1 831 176 80 TRP HH2 H 7.245 0.05 1 832 176 80 TRP C C 177.602 0.20 1 833 176 80 TRP CA C 58.427 0.20 1 834 176 80 TRP CB C 29.027 0.20 1 835 176 80 TRP CD1 C 125.147 0.20 1 836 176 80 TRP CE3 C 121.110 0.20 1 837 176 80 TRP CZ2 C 114.404 0.20 1 838 176 80 TRP CZ3 C 122.039 0.20 1 839 176 80 TRP CH2 C 125.258 0.20 1 840 176 80 TRP N N 121.646 0.30 1 841 176 80 TRP NE1 N 127.894 0.30 1 842 177 81 GLY H H 8.674 0.05 1 843 177 81 GLY HA2 H 4.048 0.05 2 844 177 81 GLY HA3 H 3.850 0.05 2 845 177 81 GLY C C 174.208 0.20 1 846 177 81 GLY CA C 45.507 0.20 1 847 177 81 GLY N N 107.957 0.30 1 848 178 82 ARG H H 7.666 0.05 1 849 178 82 ARG HA H 4.348 0.05 1 850 178 82 ARG HB2 H 1.901 0.05 2 851 178 82 ARG HB3 H 1.815 0.05 2 852 178 82 ARG HG2 H 1.588 0.05 2 853 178 82 ARG HG3 H 1.641 0.05 2 854 178 82 ARG HD2 H 3.228 0.05 1 855 178 82 ARG HD3 H 3.228 0.05 1 856 178 82 ARG C C 176.352 0.20 1 857 178 82 ARG CA C 56.259 0.20 1 858 178 82 ARG CB C 30.685 0.20 1 859 178 82 ARG CG C 27.136 0.20 1 860 178 82 ARG CD C 43.375 0.20 1 861 178 82 ARG N N 120.638 0.30 1 862 179 83 ILE H H 8.187 0.05 1 863 179 83 ILE HA H 4.178 0.05 1 864 179 83 ILE HB H 1.861 0.05 1 865 179 83 ILE HG12 H 1.479 0.05 2 866 179 83 ILE HG13 H 1.171 0.05 2 867 179 83 ILE HG2 H 0.875 0.05 1 868 179 83 ILE HD1 H 0.830 0.05 1 869 179 83 ILE C C 175.942 0.20 1 870 179 83 ILE CA C 61.211 0.20 1 871 179 83 ILE CB C 38.863 0.20 1 872 179 83 ILE CG1 C 27.228 0.20 1 873 179 83 ILE CG2 C 17.414 0.20 1 874 179 83 ILE CD1 C 12.961 0.20 1 875 179 83 ILE N N 122.408 0.30 1 876 180 84 ASP H H 8.469 0.05 1 877 180 84 ASP HA H 4.633 0.05 1 878 180 84 ASP HB2 H 2.726 0.05 2 879 180 84 ASP HB3 H 2.640 0.05 2 880 180 84 ASP C C 176.582 0.20 1 881 180 84 ASP CA C 54.447 0.20 1 882 180 84 ASP CB C 41.323 0.20 1 883 180 84 ASP N N 124.504 0.30 1 884 181 85 LYS H H 8.352 0.05 1 885 181 85 LYS HA H 4.256 0.05 1 886 181 85 LYS HB2 H 1.873 0.05 2 887 181 85 LYS HB3 H 1.792 0.05 2 888 181 85 LYS HG2 H 1.441 0.05 1 889 181 85 LYS HG3 H 1.441 0.05 1 890 181 85 LYS HD2 H 1.677 0.05 1 891 181 85 LYS HD3 H 1.677 0.05 1 892 181 85 LYS HE2 H 2.995 0.05 1 893 181 85 LYS HE3 H 2.995 0.05 1 894 181 85 LYS C C 176.648 0.20 1 895 181 85 LYS CA C 56.973 0.20 1 896 181 85 LYS CB C 32.647 0.20 1 897 181 85 LYS CG C 24.746 0.20 1 898 181 85 LYS CD C 29.098 0.20 1 899 181 85 LYS CE C 42.025 0.20 1 900 181 85 LYS N N 121.899 0.30 1 901 182 86 ASP H H 8.314 0.05 1 902 182 86 ASP HA H 4.640 0.05 1 903 182 86 ASP HB2 H 2.721 0.05 1 904 182 86 ASP HB3 H 2.721 0.05 1 905 182 86 ASP C C 176.944 0.20 1 906 182 86 ASP CA C 54.385 0.20 1 907 182 86 ASP CB C 41.199 0.20 1 908 182 86 ASP N N 119.954 0.30 1 909 183 87 GLY H H 8.309 0.05 1 910 183 87 GLY HA2 H 4.021 0.05 2 911 183 87 GLY HA3 H 3.953 0.05 2 912 183 87 GLY C C 174.932 0.20 1 913 183 87 GLY CA C 45.780 0.20 1 914 183 87 GLY N N 109.529 0.30 1 915 184 88 SER H H 8.372 0.05 1 916 184 88 SER HA H 4.392 0.05 1 917 184 88 SER HB2 H 3.875 0.05 1 918 184 88 SER HB3 H 3.875 0.05 1 919 184 88 SER C C 174.838 0.20 1 920 184 88 SER CA C 59.137 0.20 1 921 184 88 SER CB C 63.793 0.20 1 922 184 88 SER N N 116.315 0.30 1 923 185 89 ASN H H 8.566 0.05 1 924 185 89 ASN HA H 4.767 0.05 1 925 185 89 ASN HB2 H 2.886 0.05 2 926 185 89 ASN HB3 H 2.785 0.05 2 927 185 89 ASN HD21 H 7.653 0.05 1 928 185 89 ASN HD22 H 6.932 0.05 1 929 185 89 ASN C C 175.630 0.20 1 930 185 89 ASN CA C 53.419 0.20 1 931 185 89 ASN CB C 38.764 0.20 1 932 185 89 ASN N N 120.695 0.30 1 933 185 89 ASN ND2 N 113.034 0.30 1 934 186 90 SER H H 8.212 0.05 1 935 186 90 SER HA H 4.400 0.05 1 936 186 90 SER HB2 H 3.917 0.05 2 937 186 90 SER HB3 H 3.871 0.05 2 938 186 90 SER C C 175.013 0.20 1 939 186 90 SER CA C 58.990 0.20 1 940 186 90 SER CB C 63.765 0.20 1 941 186 90 SER N N 115.903 0.30 1 942 187 91 LYS H H 8.361 0.05 1 943 187 91 LYS HA H 4.260 0.05 1 944 187 91 LYS HB2 H 1.879 0.05 2 945 187 91 LYS HB3 H 1.789 0.05 2 946 187 91 LYS HG2 H 1.439 0.05 1 947 187 91 LYS HG3 H 1.439 0.05 1 948 187 91 LYS HD2 H 1.676 0.05 1 949 187 91 LYS HD3 H 1.676 0.05 1 950 187 91 LYS HE2 H 2.993 0.05 1 951 187 91 LYS HE3 H 2.993 0.05 1 952 187 91 LYS C C 176.756 0.20 1 953 187 91 LYS CA C 56.900 0.20 1 954 187 91 LYS CB C 32.700 0.20 1 955 187 91 LYS CG C 24.746 0.20 1 956 187 91 LYS CD C 29.010 0.20 1 957 187 91 LYS CE C 42.025 0.20 1 958 187 91 LYS N N 122.582 0.30 1 959 188 92 GLN H H 8.170 0.05 1 960 188 92 GLN HA H 4.343 0.05 1 961 188 92 GLN HB2 H 2.101 0.05 2 962 188 92 GLN HB3 H 1.990 0.05 2 963 188 92 GLN HG2 H 2.314 0.05 2 964 188 92 GLN HG3 H 2.380 0.05 2 965 188 92 GLN HE21 H 7.681 0.05 1 966 188 92 GLN HE22 H 6.872 0.05 1 967 188 92 GLN C C 175.992 0.20 1 968 188 92 GLN CA C 56.172 0.20 1 969 188 92 GLN CB C 29.508 0.20 1 970 188 92 GLN CG C 33.929 0.20 1 971 188 92 GLN N N 119.939 0.30 1 972 188 92 GLN NE2 N 112.380 0.30 1 973 189 93 SER H H 8.453 0.05 1 974 189 93 SER HA H 4.479 0.05 1 975 189 93 SER HB2 H 3.940 0.05 1 976 189 93 SER HB3 H 3.940 0.05 1 977 189 93 SER C C 174.033 0.20 1 978 189 93 SER CA C 58.319 0.20 1 979 189 93 SER CB C 63.601 0.20 1 980 189 93 SER N N 117.657 0.30 1 981 190 94 ARG H H 8.071 0.05 1 982 190 94 ARG HA H 4.767 0.05 1 983 190 94 ARG HB2 H 1.453 0.05 2 984 190 94 ARG HB3 H 1.371 0.05 2 985 190 94 ARG HG2 H 1.274 0.05 1 986 190 94 ARG HG3 H 1.274 0.05 1 987 190 94 ARG HD2 H 2.855 0.05 1 988 190 94 ARG HD3 H 2.855 0.05 1 989 190 94 ARG C C 174.992 0.20 1 990 190 94 ARG CA C 55.154 0.20 1 991 190 94 ARG CB C 32.618 0.20 1 992 190 94 ARG CG C 27.172 0.20 1 993 190 94 ARG CD C 43.748 0.20 1 994 190 94 ARG N N 123.761 0.30 1 995 191 95 THR H H 8.566 0.05 1 996 191 95 THR HA H 3.992 0.05 1 997 191 95 THR HB H 2.045 0.05 1 998 191 95 THR HG2 H 0.303 0.05 1 999 191 95 THR C C 170.304 0.20 1 1000 191 95 THR CA C 61.698 0.20 1 1001 191 95 THR CB C 70.860 0.20 1 1002 191 95 THR CG2 C 22.042 0.20 1 1003 191 95 THR N N 120.781 0.30 1 1004 192 96 GLU H H 8.145 0.05 1 1005 192 96 GLU HA H 4.955 0.05 1 1006 192 96 GLU HB2 H 1.829 0.05 2 1007 192 96 GLU HB3 H 1.661 0.05 2 1008 192 96 GLU HG2 H 1.877 0.05 1 1009 192 96 GLU HG3 H 1.877 0.05 1 1010 192 96 GLU C C 174.731 0.20 1 1011 192 96 GLU CA C 54.248 0.20 1 1012 192 96 GLU CB C 31.345 0.20 1 1013 192 96 GLU CG C 35.521 0.20 1 1014 192 96 GLU N N 125.459 0.30 1 1015 193 97 TRP H H 9.117 0.05 1 1016 193 97 TRP HA H 5.099 0.05 1 1017 193 97 TRP HB2 H 3.137 0.05 2 1018 193 97 TRP HB3 H 2.219 0.05 2 1019 193 97 TRP HD1 H 6.968 0.05 1 1020 193 97 TRP HE1 H 9.877 0.05 1 1021 193 97 TRP HE3 H 7.352 0.05 1 1022 193 97 TRP HZ2 H 7.415 0.05 1 1023 193 97 TRP HZ3 H 6.993 0.05 1 1024 193 97 TRP HH2 H 7.070 0.05 1 1025 193 97 TRP C C 172.732 0.20 1 1026 193 97 TRP CA C 54.463 0.20 1 1027 193 97 TRP CB C 34.098 0.20 1 1028 193 97 TRP CD1 C 123.826 0.20 1 1029 193 97 TRP CE3 C 122.413 0.20 1 1030 193 97 TRP CZ2 C 113.290 0.20 1 1031 193 97 TRP CZ3 C 121.118 0.20 1 1032 193 97 TRP CH2 C 123.470 0.20 1 1033 193 97 TRP N N 127.655 0.30 1 1034 193 97 TRP NE1 N 126.953 0.30 1 1035 194 98 ASP H H 8.342 0.05 1 1036 194 98 ASP HA H 5.255 0.05 1 1037 194 98 ASP HB2 H 2.640 0.05 2 1038 194 98 ASP HB3 H 2.834 0.05 2 1039 194 98 ASP C C 175.992 0.20 1 1040 194 98 ASP CA C 52.790 0.20 1 1041 194 98 ASP CB C 40.871 0.20 1 1042 194 98 ASP N N 122.280 0.30 1 1043 195 99 TYR H H 9.684 0.05 1 1044 195 99 TYR HA H 5.075 0.05 1 1045 195 99 TYR HB2 H 3.082 0.05 2 1046 195 99 TYR HB3 H 2.666 0.05 2 1047 195 99 TYR HD1 H 7.033 0.05 3 1048 195 99 TYR HD2 H 7.033 0.05 3 1049 195 99 TYR HE1 H 6.792 0.05 3 1050 195 99 TYR HE2 H 6.792 0.05 3 1051 195 99 TYR C C 176.864 0.20 1 1052 195 99 TYR CA C 56.748 0.20 1 1053 195 99 TYR CB C 39.594 0.20 1 1054 195 99 TYR CD1 C 133.683 0.20 3 1055 195 99 TYR CD2 C 133.683 0.20 3 1056 195 99 TYR CE1 C 118.034 0.20 3 1057 195 99 TYR CE2 C 118.034 0.20 3 1058 195 99 TYR N N 126.550 0.30 1 1059 196 100 GLY H H 9.569 0.05 1 1060 196 100 GLY HA2 H 4.623 0.05 2 1061 196 100 GLY HA3 H 3.785 0.05 2 1062 196 100 GLY C C 173.845 0.20 1 1063 196 100 GLY CA C 45.065 0.20 1 1064 196 100 GLY N N 115.316 0.30 1 1065 197 101 GLU H H 9.574 0.05 1 1066 197 101 GLU HA H 4.667 0.05 1 1067 197 101 GLU HB2 H 2.357 0.05 1 1068 197 101 GLU HB3 H 2.357 0.05 1 1069 197 101 GLU HG2 H 2.982 0.05 2 1070 197 101 GLU HG3 H 2.518 0.05 2 1071 197 101 GLU C C 174.922 0.20 1 1072 197 101 GLU CA C 56.901 0.20 1 1073 197 101 GLU CB C 32.686 0.20 1 1074 197 101 GLU CG C 37.126 0.20 1 1075 197 101 GLU N N 127.262 0.30 1 1076 198 102 ILE H H 8.682 0.05 1 1077 198 102 ILE HA H 5.183 0.05 1 1078 198 102 ILE HB H 0.571 0.05 1 1079 198 102 ILE HG12 H 0.605 0.05 2 1080 198 102 ILE HG13 H 1.041 0.05 2 1081 198 102 ILE HG2 H -0.443 0.05 1 1082 198 102 ILE HD1 H -0.018 0.05 1 1083 198 102 ILE C C 176.605 0.20 1 1084 198 102 ILE CA C 59.599 0.20 1 1085 198 102 ILE CB C 40.010 0.20 1 1086 198 102 ILE CG1 C 27.267 0.20 1 1087 198 102 ILE CG2 C 16.506 0.20 1 1088 198 102 ILE CD1 C 13.170 0.20 1 1089 198 102 ILE N N 118.442 0.30 1 1090 199 103 HIS H H 9.455 0.05 1 1091 199 103 HIS HA H 5.308 0.05 1 1092 199 103 HIS HB2 H 3.072 0.05 1 1093 199 103 HIS HB3 H 3.072 0.05 1 1094 199 103 HIS HD2 H 6.940 0.05 1 1095 199 103 HIS HE1 H 8.590 0.05 1 1096 199 103 HIS C C 174.438 0.20 1 1097 199 103 HIS CA C 53.760 0.20 1 1098 199 103 HIS CB C 34.219 0.20 1 1099 199 103 HIS CD2 C 118.503 0.20 1 1100 199 103 HIS CE1 C 136.671 0.20 1 1101 199 103 HIS N N 125.905 0.30 1 1102 200 104 SER H H 8.608 0.05 1 1103 200 104 SER HA H 4.628 0.05 1 1104 200 104 SER HB2 H 4.270 0.05 2 1105 200 104 SER HB3 H 4.004 0.05 2 1106 200 104 SER C C 172.880 0.20 1 1107 200 104 SER CA C 57.960 0.20 1 1108 200 104 SER CB C 64.550 0.20 1 1109 200 104 SER N N 114.925 0.30 1 1110 201 105 ILE H H 9.863 0.05 1 1111 201 105 ILE HA H 4.375 0.05 1 1112 201 105 ILE HB H 1.473 0.05 1 1113 201 105 ILE HG2 H 0.885 0.05 1 1114 201 105 ILE HD1 H 0.639 0.05 1 1115 201 105 ILE C C 176.582 0.20 1 1116 201 105 ILE CA C 59.453 0.20 1 1117 201 105 ILE CB C 40.216 0.20 1 1118 201 105 ILE CG2 C 17.088 0.20 1 1119 201 105 ILE CD1 C 14.748 0.20 1 1120 201 105 ILE N N 121.405 0.30 1 1121 202 106 ARG H H 8.584 0.05 1 1122 202 106 ARG HA H 3.981 0.05 1 1123 202 106 ARG HB2 H 1.585 0.05 2 1124 202 106 ARG HB3 H 1.725 0.05 2 1125 202 106 ARG HG2 H 1.451 0.05 1 1126 202 106 ARG HG3 H 1.451 0.05 1 1127 202 106 ARG HD2 H 3.171 0.05 1 1128 202 106 ARG HD3 H 3.171 0.05 1 1129 202 106 ARG C C 177.508 0.20 1 1130 202 106 ARG CA C 58.442 0.20 1 1131 202 106 ARG CB C 29.543 0.20 1 1132 202 106 ARG CG C 27.164 0.20 1 1133 202 106 ARG CD C 43.343 0.20 1 1134 202 106 ARG N N 126.700 0.30 1 1135 203 107 GLY H H 8.785 0.05 1 1136 203 107 GLY HA2 H 4.179 0.05 2 1137 203 107 GLY HA3 H 3.729 0.05 2 1138 203 107 GLY C C 173.926 0.20 1 1139 203 107 GLY CA C 45.502 0.20 1 1140 203 107 GLY N N 112.383 0.30 1 1141 204 108 LYS H H 8.071 0.05 1 1142 204 108 LYS HA H 4.840 0.05 1 1143 204 108 LYS HB2 H 1.726 0.05 1 1144 204 108 LYS HB3 H 1.726 0.05 1 1145 204 108 LYS HG2 H 1.341 0.05 1 1146 204 108 LYS HG3 H 1.341 0.05 1 1147 204 108 LYS HD2 H 1.420 0.05 1 1148 204 108 LYS HD3 H 1.420 0.05 1 1149 204 108 LYS C C 176.618 0.20 1 1150 204 108 LYS CA C 54.041 0.20 1 1151 204 108 LYS CB C 35.395 0.20 1 1152 204 108 LYS CG C 24.965 0.20 1 1153 204 108 LYS CD C 29.155 0.20 1 1154 204 108 LYS N N 119.106 0.30 1 1155 205 109 SER H H 9.186 0.05 1 1156 205 109 SER HA H 4.647 0.05 1 1157 205 109 SER HB2 H 3.933 0.05 2 1158 205 109 SER HB3 H 4.131 0.05 2 1159 205 109 SER C C 176.555 0.20 1 1160 205 109 SER CA C 57.826 0.20 1 1161 205 109 SER CB C 63.552 0.20 1 1162 205 109 SER N N 120.373 0.30 1 1163 206 110 LEU H H 9.104 0.05 1 1164 206 110 LEU HA H 4.691 0.05 1 1165 206 110 LEU HB2 H 1.720 0.05 2 1166 206 110 LEU HB3 H 1.929 0.05 2 1167 206 110 LEU HG H 1.937 0.05 1 1168 206 110 LEU HD1 H 0.909 0.05 1 1169 206 110 LEU HD2 H 0.909 0.05 1 1170 206 110 LEU C C 177.092 0.20 1 1171 206 110 LEU CA C 57.532 0.20 1 1172 206 110 LEU CB C 43.121 0.20 1 1173 206 110 LEU CG C 27.322 0.20 1 1174 206 110 LEU CD1 C 24.762 0.20 1 1175 206 110 LEU CD2 C 24.878 0.20 1 1176 206 110 LEU N N 128.898 0.30 1 1177 207 111 THR H H 7.723 0.05 1 1178 207 111 THR HA H 4.281 0.05 1 1179 207 111 THR HB H 4.406 0.05 1 1180 207 111 THR HG2 H 1.332 0.05 1 1181 207 111 THR C C 175.482 0.20 1 1182 207 111 THR CA C 63.635 0.20 1 1183 207 111 THR CB C 68.905 0.20 1 1184 207 111 THR CG2 C 22.325 0.20 1 1185 207 111 THR N N 103.433 0.30 1 1186 208 112 GLU H H 8.142 0.05 1 1187 208 112 GLU HA H 4.598 0.05 1 1188 208 112 GLU HB2 H 2.224 0.05 1 1189 208 112 GLU HB3 H 2.224 0.05 1 1190 208 112 GLU HG2 H 2.396 0.05 1 1191 208 112 GLU HG3 H 2.320 0.05 1 1192 208 112 GLU C C 176.421 0.20 1 1193 208 112 GLU CA C 57.917 0.20 1 1194 208 112 GLU CB C 32.146 0.20 1 1195 208 112 GLU CG C 36.553 0.20 1 1196 208 112 GLU N N 120.855 0.30 1 1197 209 113 ALA H H 8.501 0.05 1 1198 209 113 ALA HA H 5.136 0.05 1 1199 209 113 ALA HB H 1.357 0.05 1 1200 209 113 ALA C C 174.220 0.20 1 1201 209 113 ALA CA C 52.087 0.20 1 1202 209 113 ALA CB C 23.267 0.20 1 1203 209 113 ALA N N 121.353 0.30 1 1204 210 114 PHE H H 8.288 0.05 1 1205 210 114 PHE HA H 4.540 0.05 1 1206 210 114 PHE HB2 H 3.044 0.05 2 1207 210 114 PHE HB3 H 3.259 0.05 2 1208 210 114 PHE HD1 H 6.697 0.05 3 1209 210 114 PHE HD2 H 6.697 0.05 3 1210 210 114 PHE HE1 H 5.876 0.05 3 1211 210 114 PHE HE2 H 5.876 0.05 3 1212 210 114 PHE C C 171.323 0.20 1 1213 210 114 PHE CA C 56.985 0.20 1 1214 210 114 PHE CB C 38.983 0.20 1 1215 210 114 PHE CD1 C 132.431 0.20 3 1216 210 114 PHE CD2 C 132.431 0.20 3 1217 210 114 PHE CE1 C 129.929 0.20 3 1218 210 114 PHE CE2 C 129.929 0.20 3 1219 210 114 PHE N N 112.126 0.30 1 1220 211 115 ALA H H 9.305 0.05 1 1221 211 115 ALA HA H 5.514 0.05 1 1222 211 115 ALA HB H 1.120 0.05 1 1223 211 115 ALA C C 175.804 0.20 1 1224 211 115 ALA CA C 49.561 0.20 1 1225 211 115 ALA CB C 22.384 0.20 1 1226 211 115 ALA N N 121.508 0.30 1 1227 212 116 VAL H H 9.497 0.05 1 1228 212 116 VAL HA H 5.073 0.05 1 1229 212 116 VAL HB H 1.870 0.05 1 1230 212 116 VAL HG1 H 0.904 0.05 1 1231 212 116 VAL HG2 H 0.904 0.05 1 1232 212 116 VAL C C 173.550 0.20 1 1233 212 116 VAL CA C 58.770 0.20 1 1234 212 116 VAL CB C 35.217 0.20 1 1235 212 116 VAL CG1 C 19.934 0.20 1 1236 212 116 VAL CG2 C 19.934 0.20 1 1237 212 116 VAL N N 121.647 0.30 1 1238 213 117 GLU H H 8.821 0.05 1 1239 213 117 GLU HA H 3.490 0.05 1 1240 213 117 GLU HB2 H 1.444 0.05 2 1241 213 117 GLU HB3 H 1.921 0.05 2 1242 213 117 GLU HG2 H 0.758 0.05 2 1243 213 117 GLU HG3 H 1.526 0.05 2 1244 213 117 GLU C C 174.114 0.20 1 1245 213 117 GLU CA C 55.808 0.20 1 1246 213 117 GLU CB C 31.387 0.20 1 1247 213 117 GLU CG C 34.932 0.20 1 1248 213 117 GLU N N 131.965 0.30 1 1249 214 118 ILE H H 8.658 0.05 1 1250 214 118 ILE HA H 4.315 0.05 1 1251 214 118 ILE HB H 1.301 0.05 1 1252 214 118 ILE HG12 H 1.098 0.05 2 1253 214 118 ILE HG13 H 0.224 0.05 2 1254 214 118 ILE HG2 H -0.852 0.05 1 1255 214 118 ILE HD1 H 0.052 0.05 1 1256 214 118 ILE C C 176.470 0.20 1 1257 214 118 ILE CA C 56.817 0.20 1 1258 214 118 ILE CB C 36.760 0.20 1 1259 214 118 ILE CG1 C 25.068 0.20 1 1260 214 118 ILE CG2 C 14.984 0.20 1 1261 214 118 ILE CD1 C 11.448 0.20 1 1262 214 118 ILE N N 128.464 0.30 1 1263 215 119 ASN H H 9.357 0.05 1 1264 215 119 ASN HA H 4.353 0.05 1 1265 215 119 ASN HB2 H 2.889 0.05 1 1266 215 119 ASN HB3 H 2.889 0.05 1 1267 215 119 ASN HD21 H 7.868 0.05 1 1268 215 119 ASN HD22 H 7.080 0.05 1 1269 215 119 ASN C C 174.825 0.20 1 1270 215 119 ASN CA C 54.364 0.20 1 1271 215 119 ASN CB C 35.914 0.20 1 1272 215 119 ASN N N 127.962 0.30 1 1273 215 119 ASN ND2 N 111.809 0.30 1 1274 216 120 ASP H H 8.678 0.05 1 1275 216 120 ASP HA H 4.090 0.05 1 1276 216 120 ASP HB2 H 2.859 0.05 1 1277 216 120 ASP HB3 H 2.859 0.05 1 1278 216 120 ASP C C 174.251 0.20 1 1279 216 120 ASP CA C 56.165 0.20 1 1280 216 120 ASP CB C 39.990 0.20 1 1281 216 120 ASP N N 110.567 0.30 1 1282 217 121 ASP H H 7.567 0.05 1 1283 217 121 ASP HA H 4.940 0.05 1 1284 217 121 ASP HB2 H 2.426 0.05 2 1285 217 121 ASP HB3 H 2.398 0.05 2 1286 217 121 ASP C C 174.815 0.20 1 1287 217 121 ASP CA C 52.818 0.20 1 1288 217 121 ASP CB C 44.838 0.20 1 1289 217 121 ASP N N 119.697 0.30 1 1290 218 122 PHE H H 8.890 0.05 1 1291 218 122 PHE HA H 4.211 0.05 1 1292 218 122 PHE HB2 H 3.070 0.05 2 1293 218 122 PHE HB3 H 2.379 0.05 2 1294 218 122 PHE HD1 H 6.930 0.05 3 1295 218 122 PHE HD2 H 6.930 0.05 3 1296 218 122 PHE HE1 H 7.049 0.05 3 1297 218 122 PHE HE2 H 7.049 0.05 3 1298 218 122 PHE HZ H 6.798 0.05 1 1299 218 122 PHE C C 174.998 0.20 1 1300 218 122 PHE CA C 60.897 0.20 1 1301 218 122 PHE CB C 40.110 0.20 1 1302 218 122 PHE CD1 C 131.134 0.20 3 1303 218 122 PHE CD2 C 131.134 0.20 3 1304 218 122 PHE CE1 C 131.658 0.20 3 1305 218 122 PHE CE2 C 131.658 0.20 3 1306 218 122 PHE CZ C 128.774 0.20 1 1307 218 122 PHE N N 122.236 0.30 1 1308 219 123 LYS H H 9.037 0.05 1 1309 219 123 LYS HA H 5.051 0.05 1 1310 219 123 LYS HB2 H 1.595 0.05 2 1311 219 123 LYS HB3 H 1.935 0.05 2 1312 219 123 LYS HG2 H 1.071 0.05 1 1313 219 123 LYS HG3 H 1.071 0.05 1 1314 219 123 LYS C C 176.783 0.20 1 1315 219 123 LYS CA C 51.894 0.20 1 1316 219 123 LYS CB C 34.116 0.20 1 1317 219 123 LYS CG C 24.439 0.20 1 1318 219 123 LYS N N 123.312 0.30 1 1319 220 124 LEU H H 8.069 0.05 1 1320 220 124 LEU HA H 4.073 0.05 1 1321 220 124 LEU HB2 H 1.094 0.05 1 1322 220 124 LEU HB3 H 1.094 0.05 1 1323 220 124 LEU HG H 1.322 0.05 1 1324 220 124 LEU HD1 H 0.814 0.05 2 1325 220 124 LEU HD2 H 0.725 0.05 2 1326 220 124 LEU C C 175.071 0.20 1 1327 220 124 LEU CA C 55.487 0.20 1 1328 220 124 LEU CB C 42.775 0.20 1 1329 220 124 LEU CG C 27.051 0.20 1 1330 220 124 LEU CD1 C 25.808 0.20 1 1331 220 124 LEU CD2 C 23.586 0.20 1 1332 220 124 LEU N N 121.906 0.30 1 1333 221 125 ALA H H 9.337 0.05 1 1334 221 125 ALA HA H 5.591 0.05 1 1335 221 125 ALA HB H 0.517 0.05 1 1336 221 125 ALA C C 175.655 0.20 1 1337 221 125 ALA CA C 50.004 0.20 1 1338 221 125 ALA CB C 20.147 0.20 1 1339 221 125 ALA N N 134.144 0.30 1 1340 222 126 THR H H 7.886 0.05 1 1341 222 126 THR HA H 4.979 0.05 1 1342 222 126 THR HB H 4.204 0.05 1 1343 222 126 THR HG2 H 1.267 0.05 1 1344 222 126 THR C C 174.033 0.20 1 1345 222 126 THR CA C 59.756 0.20 1 1346 222 126 THR CB C 71.527 0.20 1 1347 222 126 THR CG2 C 21.951 0.20 1 1348 222 126 THR N N 110.774 0.30 1 1349 223 127 LYS H H 8.028 0.05 1 1350 223 127 LYS HA H 3.651 0.05 1 1351 223 127 LYS HB2 H 1.562 0.05 2 1352 223 127 LYS HB3 H 1.664 0.05 2 1353 223 127 LYS HG2 H 1.159 0.05 1 1354 223 127 LYS HG3 H 1.000 0.05 1 1355 223 127 LYS HE2 H 2.908 0.05 1 1356 223 127 LYS HE3 H 2.908 0.05 1 1357 223 127 LYS C C 176.904 0.20 1 1358 223 127 LYS CA C 57.784 0.20 1 1359 223 127 LYS CB C 32.360 0.20 1 1360 223 127 LYS CG C 24.597 0.20 1 1361 223 127 LYS CE C 41.754 0.20 1 1362 223 127 LYS N N 126.095 0.30 1 1363 224 128 VAL H H 8.930 0.05 1 1364 224 128 VAL HA H 4.128 0.05 1 1365 224 128 VAL HB H 2.022 0.05 1 1366 224 128 VAL HG1 H 0.928 0.05 1 1367 224 128 VAL C C 176.351 0.20 1 1368 224 128 VAL CA C 62.492 0.20 1 1369 224 128 VAL CB C 32.747 0.20 1 1370 224 128 VAL CG1 C 21.376 0.20 1 1371 224 128 VAL N N 127.045 0.30 1 1372 225 129 GLY H H 8.454 0.05 1 1373 225 129 GLY HA2 H 3.981 0.05 1 1374 225 129 GLY HA3 H 3.981 0.05 1 1375 225 129 GLY C C 172.839 0.20 1 1376 225 129 GLY CA C 45.034 0.20 1 1377 225 129 GLY N N 113.708 0.30 1 1378 226 130 ASN H H 8.003 0.05 1 1379 226 130 ASN HA H 4.498 0.05 1 1380 226 130 ASN HB2 H 2.802 0.05 2 1381 226 130 ASN HB3 H 2.678 0.05 2 1382 226 130 ASN C C 179.735 0.20 1 1383 226 130 ASN CA C 54.730 0.20 1 1384 226 130 ASN CB C 40.389 0.20 1 1385 226 130 ASN N N 124.156 0.30 1 stop_ save_