data_25127 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of a putative phosphoglycolate phosphatase (NP_346487.1) from Streptococcus pneumoniae TIGR4 ; _BMRB_accession_number 25127 _BMRB_flat_file_name bmr25127.str _Entry_type original _Submission_date 2014-08-04 _Accession_date 2014-08-04 _Entry_origination author _NMR_STAR_version 2.1.1 _Experimental_method NMR _Details . loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jaudzems Kristaps . . 2 Serrano Pedro . . 3 Pedrini Bill . . 4 Geralt Michael . . 5 Wuthrich Kurt . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 1035 "13C chemical shifts" 696 "15N chemical shifts" 230 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-09-22 original author . stop_ _Original_release_date 2014-09-22 save_ ############################# # Citation for this entry # ############################# save_citations _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of a putative phosphoglycolate phosphatase (NP_346487.1) from Streptococcus pneumoniae TIGR4' _Citation_status 'in preparation' _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID ? loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Jaudzems Kristaps . . 2 Serrano Pedro . . 3 Pedrini Bill . . 4 Geralt Michael . . 5 Wuthrich Kurt . . stop_ _Journal_abbreviation 'To be Published' _Journal_volume . _Journal_issue . _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first . _Page_last . _Year . _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'putative phosphoglycolate phosphatase' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label entity $entity 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_entity _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 23706.646 _Mol_thiol_state 'not present' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 208 _Mol_residue_sequence ; GHMQKTAFIWDLDGTLLDSY EAILSGIEETFAQFSIPYDK EKVREFIFKYSVQDLLVRVA EDRNLDVEVLNQVRAQSLAE KNAQVVLMPGAREVLAWADE SGIQQFIYTHKGNNAFTILK DLGVESYFTEILTSQSGFVR KPSPEAATYLLDKYQLNSDN TYYIGDRTLDVEFAQNSGIQ SINFLESTYEGNHRIQALAD ISRIFETK ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -2 GLY 2 -1 HIS 3 1 MET 4 2 GLN 5 3 LYS 6 4 THR 7 5 ALA 8 6 PHE 9 7 ILE 10 8 TRP 11 9 ASP 12 10 LEU 13 11 ASP 14 12 GLY 15 13 THR 16 14 LEU 17 15 LEU 18 16 ASP 19 17 SER 20 18 TYR 21 19 GLU 22 20 ALA 23 21 ILE 24 22 LEU 25 23 SER 26 24 GLY 27 25 ILE 28 26 GLU 29 27 GLU 30 28 THR 31 29 PHE 32 30 ALA 33 31 GLN 34 32 PHE 35 33 SER 36 34 ILE 37 35 PRO 38 36 TYR 39 37 ASP 40 38 LYS 41 39 GLU 42 40 LYS 43 41 VAL 44 42 ARG 45 43 GLU 46 44 PHE 47 45 ILE 48 46 PHE 49 47 LYS 50 48 TYR 51 49 SER 52 50 VAL 53 51 GLN 54 52 ASP 55 53 LEU 56 54 LEU 57 55 VAL 58 56 ARG 59 57 VAL 60 58 ALA 61 59 GLU 62 60 ASP 63 61 ARG 64 62 ASN 65 63 LEU 66 64 ASP 67 65 VAL 68 66 GLU 69 67 VAL 70 68 LEU 71 69 ASN 72 70 GLN 73 71 VAL 74 72 ARG 75 73 ALA 76 74 GLN 77 75 SER 78 76 LEU 79 77 ALA 80 78 GLU 81 79 LYS 82 80 ASN 83 81 ALA 84 82 GLN 85 83 VAL 86 84 VAL 87 85 LEU 88 86 MET 89 87 PRO 90 88 GLY 91 89 ALA 92 90 ARG 93 91 GLU 94 92 VAL 95 93 LEU 96 94 ALA 97 95 TRP 98 96 ALA 99 97 ASP 100 98 GLU 101 99 SER 102 100 GLY 103 101 ILE 104 102 GLN 105 103 GLN 106 104 PHE 107 105 ILE 108 106 TYR 109 107 THR 110 108 HIS 111 109 LYS 112 110 GLY 113 111 ASN 114 112 ASN 115 113 ALA 116 114 PHE 117 115 THR 118 116 ILE 119 117 LEU 120 118 LYS 121 119 ASP 122 120 LEU 123 121 GLY 124 122 VAL 125 123 GLU 126 124 SER 127 125 TYR 128 126 PHE 129 127 THR 130 128 GLU 131 129 ILE 132 130 LEU 133 131 THR 134 132 SER 135 133 GLN 136 134 SER 137 135 GLY 138 136 PHE 139 137 VAL 140 138 ARG 141 139 LYS 142 140 PRO 143 141 SER 144 142 PRO 145 143 GLU 146 144 ALA 147 145 ALA 148 146 THR 149 147 TYR 150 148 LEU 151 149 LEU 152 150 ASP 153 151 LYS 154 152 TYR 155 153 GLN 156 154 LEU 157 155 ASN 158 156 SER 159 157 ASP 160 158 ASN 161 159 THR 162 160 TYR 163 161 TYR 164 162 ILE 165 163 GLY 166 164 ASP 167 165 ARG 168 166 THR 169 167 LEU 170 168 ASP 171 169 VAL 172 170 GLU 173 171 PHE 174 172 ALA 175 173 GLN 176 174 ASN 177 175 SER 178 176 GLY 179 177 ILE 180 178 GLN 181 179 SER 182 180 ILE 183 181 ASN 184 182 PHE 185 183 LEU 186 184 GLU 187 185 SER 188 186 THR 189 187 TYR 190 188 GLU 191 189 GLY 192 190 ASN 193 191 HIS 194 192 ARG 195 193 ILE 196 194 GLN 197 195 ALA 198 196 LEU 199 197 ALA 200 198 ASP 201 199 ILE 202 200 SER 203 201 ARG 204 202 ILE 205 203 PHE 206 204 GLU 207 205 THR 208 206 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-22 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 PDB 2GO7 "Crystal Structure Of A Hydrolase From Haloacid Dehalogenase-Like Family (Sp_2064) From Streptococcus Pneumoniae Tigr4 At 2.10 A" 98.56 207 99.51 99.51 3.19e-145 PDB 2MSN "Nmr Structure Of A Putative Phosphoglycolate Phosphatase (np_346487.1) From Streptococcus Pneumoniae Tigr4" 100.00 208 100.00 100.00 7.39e-150 EMBL CAR69831 "putative haloacid dehalogenase-like hydrolase [Streptococcus pneumoniae ATCC 700669]" 99.04 206 100.00 100.00 1.24e-147 EMBL CBW33471 "putative haloacid dehalogenase-like hydrolase [Streptococcus pneumoniae OXC141]" 99.04 207 99.03 99.51 4.36e-146 EMBL CBW35510 "putative haloacid dehalogenase-like hydrolase [Streptococcus pneumoniae INV200]" 99.04 206 100.00 100.00 1.24e-147 EMBL CBW37461 "putative haloacid dehalogenase-like hydrolase [Streptococcus pneumoniae INV104]" 99.04 206 99.03 99.51 3.00e-146 EMBL CCP31549 "putative haloacid dehalogenase-like hydrolase [Streptococcus pneumoniae SPN994038]" 99.04 207 99.03 99.51 4.36e-146 GB AAK76127 "hydrolase, haloacid dehalogenase-like family [Streptococcus pneumoniae TIGR4]" 99.04 206 100.00 100.00 1.24e-147 GB AAL00678 "Hypothetical protein spr1876 [Streptococcus pneumoniae R6]" 99.04 206 100.00 100.00 1.24e-147 GB ABJ54930 "hydrolase, haloacid dehalogenase-like family protein [Streptococcus pneumoniae D39]" 99.04 206 100.00 100.00 1.24e-147 GB ACA36863 "putative phosphoglycolate phosphatase [Streptococcus pneumoniae Hungary19A-6]" 99.04 206 99.51 100.00 6.77e-147 GB ACB91283 "hydrolase, haloacid dehalogenase-like family [Streptococcus pneumoniae CGSP14]" 99.04 206 100.00 100.00 1.24e-147 REF NP_359467 "hypothetical protein spr1876 [Streptococcus pneumoniae R6]" 99.04 206 100.00 100.00 1.24e-147 REF WP_001172817 "haloacid dehalogenase [Streptococcus pneumoniae]" 99.04 206 99.51 99.51 2.57e-146 REF WP_001172820 "haloacid dehalogenase [Streptococcus pneumoniae]" 99.04 206 99.51 99.51 1.96e-146 REF WP_001172821 "haloacid dehalogenase [Streptococcus pneumoniae]" 99.04 206 99.51 99.51 7.23e-147 REF WP_001172822 "haloacid dehalogenase [Streptococcus pneumoniae]" 99.04 207 99.03 99.51 4.36e-146 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Strain $entity firmicutes 170187 Bacteria . Streptococcus pneumoniae TIGR4 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Saveframe_category experimental_source loop_ _Mol_label _Production_method _Host_organism_name_common _Genus _Species _Strain _Vector_name _Details $entity 'recombinant technology' . Escherichia coli BL21DE3 pET28TEV 'A modified pET28 vector bearing a TEV protease cleavage site' stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $entity 1.5 mM '[U-100% 13C; U-100% 15N]' D2O 5 % '[U-100% 2H]' 'sodium azide' 0.03 % 'natural abundance' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 50 mM 'natural abundance' H2O 95 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Guntert, Mumenthaler and Wuthrich' . . stop_ loop_ _Task 'structure solution' stop_ _Details . save_ save_OPAL _Saveframe_category software _Name OPAL _Version . loop_ _Vendor _Address _Electronic_address 'Luginbuhl, Guntert, Billeter and Wuthrich' . . stop_ loop_ _Task refinement stop_ _Details . save_ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 2.1 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . . stop_ loop_ _Task collection stop_ _Details . save_ save_CARA _Saveframe_category software _Name CARA _Version 1.9 loop_ _Vendor _Address _Electronic_address 'Keller, Wuthrich' . . stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_UNIO-MATCH _Saveframe_category software _Name UNIO-MATCH _Version . loop_ _Vendor _Address _Electronic_address 'Volk, Herrmann, Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_UNIO-ATNOS-ASCAN _Saveframe_category software _Name UNIO-ATNOS-ASCAN _Version . loop_ _Vendor _Address _Electronic_address 'Fiorito, Herrmann, Guntert, Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' stop_ _Details . save_ save_UNIO-ATNOS-CANDID _Saveframe_category software _Name UNIO-ATNOS-CANDID _Version . loop_ _Vendor _Address _Electronic_address 'Herrmann, Guntert, Wuthrich' . . stop_ loop_ _Task 'peak picking' 'structure solution' 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 800 _Details . save_ ############################# # NMR applied experiments # ############################# save_5D_APSY-HACACONH_1 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY-HACACONH' _Sample_label $sample_1 save_ save_4D_APSY-HACANH_2 _Saveframe_category NMR_applied_experiment _Experiment_name '4D APSY-HACANH' _Sample_label $sample_1 save_ save_4D_APSY-HNCOCA_3 _Saveframe_category NMR_applied_experiment _Experiment_name '4D APSY-HNCOCA' _Sample_label $sample_1 save_ save_4D_APSY-HNCACO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '4D APSY-HNCACO' _Sample_label $sample_1 save_ save_5D_APSY-CBCACONH_5 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY-CBCACONH' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units temperature 298 0.2 K pH 6.5 0.1 pH pressure 1 . atm 'ionic strength' 0.08 0.002 M 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 water H 1 protons ppm 4.77 internal direct . . . 1 water C 13 protons ppm 4.77 internal indirect . . . 0.251449530 water N 15 protons ppm 4.77 internal 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_ _Software_label $CARA $UNIO-MATCH $UNIO-ATNOS-ASCAN stop_ loop_ _Experiment_label '5D APSY-HACACONH' '4D APSY-HACANH' '4D APSY-HNCOCA' '4D APSY-HNCACO' '5D APSY-CBCACONH' '3D 1H-15N NOESY' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' stop_ loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name entity _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 1 GLY HA2 H 3.730 0.020 1 2 -2 1 GLY HA3 H 3.730 0.020 1 3 -2 1 GLY CA C 43.220 0.3 1 4 -1 2 HIS HA H 4.648 0.020 1 5 -1 2 HIS HB2 H 3.039 0.020 2 6 -1 2 HIS HB3 H 3.086 0.020 2 7 -1 2 HIS HD2 H 7.051 0.020 1 8 -1 2 HIS HE1 H 8.099 0.020 1 9 -1 2 HIS CA C 55.898 0.3 1 10 -1 2 HIS CB C 30.061 0.3 1 11 -1 2 HIS CD2 C 119.624 0.3 1 12 -1 2 HIS CE1 C 137.421 0.3 1 13 1 3 MET HA H 4.365 0.020 1 14 1 3 MET HB2 H 1.741 0.020 2 15 1 3 MET HB3 H 1.908 0.020 2 16 1 3 MET HG2 H 2.356 0.020 1 17 1 3 MET HG3 H 2.356 0.020 1 18 1 3 MET HE H 1.843 0.020 1 19 1 3 MET CA C 55.481 0.3 1 20 1 3 MET CB C 32.606 0.3 1 21 1 3 MET CG C 31.763 0.3 1 22 1 3 MET CE C 16.810 0.3 1 23 1 3 MET N N 122.414 0.3 1 24 2 4 GLN HA H 4.247 0.020 1 25 2 4 GLN HB2 H 1.878 0.020 2 26 2 4 GLN HB3 H 1.992 0.020 2 27 2 4 GLN HG2 H 2.292 0.020 1 28 2 4 GLN HG3 H 2.292 0.020 1 29 2 4 GLN HE21 H 7.463 0.020 1 30 2 4 GLN HE22 H 6.807 0.020 1 31 2 4 GLN CA C 55.830 0.3 1 32 2 4 GLN CB C 29.136 0.3 1 33 2 4 GLN CG C 33.720 0.3 1 34 2 4 GLN N N 120.814 0.3 1 35 2 4 GLN NE2 N 112.396 0.3 1 36 3 5 LYS HA H 4.184 0.020 1 37 3 5 LYS HB2 H 1.715 0.020 2 38 3 5 LYS HB3 H 1.850 0.020 2 39 3 5 LYS HG2 H 1.347 0.020 2 40 3 5 LYS HG3 H 1.422 0.020 2 41 3 5 LYS HD2 H 1.668 0.020 1 42 3 5 LYS HD3 H 1.668 0.020 1 43 3 5 LYS HE2 H 2.943 0.020 1 44 3 5 LYS HE3 H 2.943 0.020 1 45 3 5 LYS CA C 56.803 0.3 1 46 3 5 LYS CB C 32.088 0.3 1 47 3 5 LYS CG C 24.651 0.3 1 48 3 5 LYS CD C 29.032 0.3 1 49 3 5 LYS CE C 42.226 0.3 1 50 3 5 LYS N N 122.403 0.3 1 51 4 6 THR HA H 5.060 0.020 1 52 4 6 THR HB H 3.585 0.020 1 53 4 6 THR HG2 H 0.992 0.020 1 54 4 6 THR CA C 62.390 0.3 1 55 4 6 THR CB C 70.750 0.3 1 56 4 6 THR CG2 C 21.241 0.3 1 57 4 6 THR N N 122.564 0.3 1 58 5 7 ALA HA H 5.577 0.020 1 59 5 7 ALA HB H 1.514 0.020 1 60 5 7 ALA CA C 50.324 0.3 1 61 5 7 ALA CB C 24.441 0.3 1 62 5 7 ALA N N 127.062 0.3 1 63 6 8 PHE HA H 5.576 0.020 1 64 6 8 PHE HB2 H 2.418 0.020 2 65 6 8 PHE HB3 H 3.077 0.020 2 66 6 8 PHE HD1 H 7.170 0.020 1 67 6 8 PHE HD2 H 7.170 0.020 1 68 6 8 PHE HE1 H 6.700 0.020 1 69 6 8 PHE HE2 H 6.700 0.020 1 70 6 8 PHE HZ H 6.546 0.020 1 71 6 8 PHE CA C 51.706 0.3 1 72 6 8 PHE CB C 41.224 0.3 1 73 6 8 PHE CD2 C 129.228 0.3 1 74 6 8 PHE CE2 C 129.969 0.3 1 75 6 8 PHE CZ C 128.581 0.3 1 76 6 8 PHE N N 121.363 0.3 1 77 7 9 ILE HA H 4.560 0.020 1 78 7 9 ILE HB H 2.027 0.020 1 79 7 9 ILE HG12 H 0.766 0.020 2 80 7 9 ILE HG13 H 1.587 0.020 2 81 7 9 ILE HG2 H 0.979 0.020 1 82 7 9 ILE HD1 H 0.588 0.020 1 83 7 9 ILE CA C 59.953 0.3 1 84 7 9 ILE CB C 39.488 0.3 1 85 7 9 ILE CG1 C 26.468 0.3 1 86 7 9 ILE CG2 C 18.833 0.3 1 87 7 9 ILE CD1 C 13.920 0.3 1 88 7 9 ILE N N 123.065 0.3 1 89 8 10 TRP HA H 4.349 0.020 1 90 8 10 TRP HB2 H 3.000 0.020 2 91 8 10 TRP HB3 H 3.473 0.020 2 92 8 10 TRP HD1 H 7.588 0.020 1 93 8 10 TRP HE1 H 11.173 0.020 1 94 8 10 TRP HE3 H 7.397 0.020 1 95 8 10 TRP HZ2 H 7.239 0.020 1 96 8 10 TRP HZ3 H 6.603 0.020 1 97 8 10 TRP HH2 H 6.780 0.020 1 98 8 10 TRP CA C 58.419 0.3 1 99 8 10 TRP CB C 30.679 0.3 1 100 8 10 TRP CD1 C 126.460 0.3 1 101 8 10 TRP CE3 C 120.177 0.3 1 102 8 10 TRP CZ2 C 113.856 0.3 1 103 8 10 TRP CZ3 C 121.370 0.3 1 104 8 10 TRP CH2 C 123.178 0.3 1 105 8 10 TRP N N 127.163 0.3 1 106 8 10 TRP NE1 N 130.001 0.3 1 107 9 11 ASP HA H 5.008 0.020 1 108 9 11 ASP HB2 H 2.912 0.020 1 109 9 11 ASP HB3 H 2.912 0.020 1 110 9 11 ASP CA C 52.650 0.3 1 111 9 11 ASP CB C 42.458 0.3 1 112 9 11 ASP N N 119.770 0.3 1 113 10 12 LEU HB2 H 1.474 0.020 2 114 10 12 LEU HB3 H 1.348 0.020 2 115 10 12 LEU HG H 1.336 0.020 1 116 10 12 LEU HD1 H 0.652 0.020 1 117 10 12 LEU HD2 H 0.590 0.020 1 118 10 12 LEU CB C 44.069 0.3 1 119 10 12 LEU CG C 26.362 0.3 1 120 10 12 LEU CD1 C 26.081 0.3 1 121 10 12 LEU CD2 C 25.122 0.3 1 122 11 13 ASP HA H 4.170 0.020 1 123 11 13 ASP HB2 H 2.599 0.020 1 124 11 13 ASP HB3 H 2.599 0.020 1 125 11 13 ASP CA C 57.210 0.3 1 126 11 13 ASP CB C 40.580 0.3 1 127 12 14 GLY HA2 H 3.609 0.020 1 128 12 14 GLY CA C 45.817 0.3 1 129 12 14 GLY N N 113.460 0.3 1 130 13 15 THR HA H 4.280 0.020 1 131 13 15 THR HB H 3.697 0.020 1 132 13 15 THR HG2 H 1.249 0.020 1 133 13 15 THR CA C 64.702 0.3 1 134 13 15 THR CB C 68.325 0.3 1 135 13 15 THR CG2 C 22.127 0.3 1 136 13 15 THR N N 114.900 0.3 1 137 14 16 LEU HA H 4.319 0.020 1 138 14 16 LEU HB2 H 0.968 0.020 2 139 14 16 LEU HB3 H 1.591 0.020 2 140 14 16 LEU HG H 1.562 0.020 1 141 14 16 LEU HD1 H 0.133 0.020 1 142 14 16 LEU HD2 H -0.142 0.020 1 143 14 16 LEU CA C 55.551 0.3 1 144 14 16 LEU CB C 45.022 0.3 1 145 14 16 LEU CG C 26.685 0.3 1 146 14 16 LEU CD1 C 25.061 0.3 1 147 14 16 LEU CD2 C 22.897 0.3 1 148 14 16 LEU N N 115.127 0.3 1 149 15 17 LEU HA H 4.555 0.020 1 150 15 17 LEU HB2 H 1.140 0.020 2 151 15 17 LEU HB3 H 1.677 0.020 2 152 15 17 LEU HG H 1.286 0.020 1 153 15 17 LEU HD1 H 0.609 0.020 1 154 15 17 LEU HD2 H 0.417 0.020 1 155 15 17 LEU CA C 52.747 0.3 1 156 15 17 LEU CB C 43.387 0.3 1 157 15 17 LEU CG C 26.188 0.3 1 158 15 17 LEU CD1 C 25.632 0.3 1 159 15 17 LEU CD2 C 22.292 0.3 1 160 15 17 LEU N N 114.497 0.3 1 161 16 18 ASP HA H 4.981 0.020 1 162 16 18 ASP HB2 H 2.275 0.020 2 163 16 18 ASP HB3 H 2.916 0.020 2 164 16 18 ASP CA C 52.322 0.3 1 165 16 18 ASP CB C 39.475 0.3 1 166 16 18 ASP N N 124.003 0.3 1 167 17 19 SER HA H 4.745 0.020 1 168 17 19 SER HB2 H 3.337 0.020 2 169 17 19 SER HB3 H 3.926 0.020 2 170 17 19 SER CA C 57.390 0.3 1 171 17 19 SER CB C 63.756 0.3 1 172 17 19 SER N N 114.347 0.3 1 173 18 20 TYR HA H 4.213 0.020 1 174 18 20 TYR HB2 H 2.861 0.020 2 175 18 20 TYR HB3 H 3.132 0.020 2 176 18 20 TYR HD1 H 7.014 0.020 1 177 18 20 TYR HD2 H 7.014 0.020 1 178 18 20 TYR HE1 H 6.614 0.020 1 179 18 20 TYR HE2 H 6.614 0.020 1 180 18 20 TYR CA C 63.037 0.3 1 181 18 20 TYR CB C 36.913 0.3 1 182 18 20 TYR CD1 C 131.783 0.3 1 183 18 20 TYR CE1 C 118.090 0.3 1 184 18 20 TYR N N 122.052 0.3 1 185 19 21 GLU HA H 4.022 0.020 1 186 19 21 GLU HB2 H 1.953 0.020 2 187 19 21 GLU HB3 H 1.993 0.020 2 188 19 21 GLU HG2 H 2.261 0.020 1 189 19 21 GLU HG3 H 2.261 0.020 1 190 19 21 GLU CA C 59.617 0.3 1 191 19 21 GLU CB C 28.225 0.3 1 192 19 21 GLU CG C 35.997 0.3 1 193 19 21 GLU N N 118.110 0.3 1 194 20 22 ALA HA H 3.855 0.020 1 195 20 22 ALA HB H 1.344 0.020 1 196 20 22 ALA CA C 55.197 0.3 1 197 20 22 ALA CB C 18.324 0.3 1 198 20 22 ALA N N 123.891 0.3 1 199 21 23 ILE HA H 3.585 0.020 1 200 21 23 ILE HB H 1.838 0.020 1 201 21 23 ILE HG12 H 0.929 0.020 2 202 21 23 ILE HG13 H 1.577 0.020 2 203 21 23 ILE HG2 H 0.777 0.020 1 204 21 23 ILE HD1 H 0.506 0.020 1 205 21 23 ILE CA C 64.297 0.3 1 206 21 23 ILE CB C 38.337 0.3 1 207 21 23 ILE CG1 C 28.722 0.3 1 208 21 23 ILE CG2 C 16.855 0.3 1 209 21 23 ILE CD1 C 12.801 0.3 1 210 21 23 ILE N N 119.273 0.3 1 211 22 24 LEU HA H 3.875 0.020 1 212 22 24 LEU HB2 H 1.653 0.020 2 213 22 24 LEU HB3 H 1.922 0.020 2 214 22 24 LEU HG H 1.818 0.020 1 215 22 24 LEU HD1 H 0.739 0.020 1 216 22 24 LEU HD2 H 0.788 0.020 1 217 22 24 LEU CA C 58.470 0.3 1 218 22 24 LEU CB C 39.871 0.3 1 219 22 24 LEU CG C 27.264 0.3 1 220 22 24 LEU CD1 C 25.955 0.3 1 221 22 24 LEU CD2 C 23.469 0.3 1 222 22 24 LEU N N 121.307 0.3 1 223 23 25 SER HA H 4.085 0.020 1 224 23 25 SER HB2 H 3.678 0.020 2 225 23 25 SER HB3 H 3.894 0.020 2 226 23 25 SER CA C 62.551 0.3 1 227 23 25 SER CB C 62.334 0.3 1 228 23 25 SER N N 116.237 0.3 1 229 24 26 GLY HA2 H 4.080 0.020 1 230 24 26 GLY CA C 46.744 0.3 1 231 24 26 GLY N N 109.813 0.3 1 232 25 27 ILE HA H 3.208 0.020 1 233 25 27 ILE HB H 1.867 0.020 1 234 25 27 ILE HG12 H 0.712 0.020 2 235 25 27 ILE HG13 H 1.674 0.020 2 236 25 27 ILE HG2 H 0.073 0.020 1 237 25 27 ILE HD1 H 0.714 0.020 1 238 25 27 ILE CA C 65.163 0.3 1 239 25 27 ILE CB C 36.781 0.3 1 240 25 27 ILE CG1 C 28.766 0.3 1 241 25 27 ILE CG2 C 17.304 0.3 1 242 25 27 ILE CD1 C 13.811 0.3 1 243 25 27 ILE N N 125.721 0.3 1 244 26 28 GLU HA H 2.424 0.020 1 245 26 28 GLU HB2 H 1.054 0.020 2 246 26 28 GLU HB3 H 1.743 0.020 2 247 26 28 GLU HG2 H 1.423 0.020 2 248 26 28 GLU HG3 H 1.658 0.020 2 249 26 28 GLU CA C 59.967 0.3 1 250 26 28 GLU CB C 28.857 0.3 1 251 26 28 GLU CG C 35.250 0.3 1 252 26 28 GLU N N 122.409 0.3 1 253 27 29 GLU HA H 3.916 0.020 1 254 27 29 GLU HB2 H 1.970 0.020 2 255 27 29 GLU HB3 H 2.010 0.020 2 256 27 29 GLU HG2 H 2.277 0.020 1 257 27 29 GLU HG3 H 2.277 0.020 1 258 27 29 GLU CA C 59.390 0.3 1 259 27 29 GLU CB C 29.837 0.3 1 260 27 29 GLU CG C 36.175 0.3 1 261 27 29 GLU N N 118.448 0.3 1 262 28 30 THR HA H 3.778 0.020 1 263 28 30 THR HB H 4.371 0.020 1 264 28 30 THR HG2 H 1.272 0.020 1 265 28 30 THR CA C 67.418 0.3 1 266 28 30 THR CB C 68.057 0.3 1 267 28 30 THR CG2 C 20.738 0.3 1 268 28 30 THR N N 117.810 0.3 1 269 29 31 PHE HA H 4.223 0.020 1 270 29 31 PHE HB2 H 3.127 0.020 2 271 29 31 PHE HB3 H 3.713 0.020 2 272 29 31 PHE HD1 H 7.000 0.020 1 273 29 31 PHE HD2 H 7.000 0.020 1 274 29 31 PHE HE1 H 7.043 0.020 1 275 29 31 PHE HE2 H 7.043 0.020 1 276 29 31 PHE HZ H 6.832 0.020 1 277 29 31 PHE CA C 59.329 0.3 1 278 29 31 PHE CB C 34.988 0.3 1 279 29 31 PHE CD1 C 130.240 0.3 1 280 29 31 PHE CE1 C 130.313 0.3 1 281 29 31 PHE CZ C 128.616 0.3 1 282 29 31 PHE N N 121.353 0.3 1 283 30 32 ALA HA H 4.190 0.020 1 284 30 32 ALA HB H 1.475 0.020 1 285 30 32 ALA CA C 55.066 0.3 1 286 30 32 ALA CB C 17.523 0.3 1 287 30 32 ALA N N 121.612 0.3 1 288 31 33 GLN HA H 3.850 0.020 1 289 31 33 GLN HB2 H 1.816 0.020 2 290 31 33 GLN HB3 H 2.028 0.020 2 291 31 33 GLN HG2 H 1.903 0.020 2 292 31 33 GLN HG3 H 2.047 0.020 2 293 31 33 GLN HE21 H 6.706 0.020 1 294 31 33 GLN HE22 H 7.030 0.020 1 295 31 33 GLN CA C 58.169 0.3 1 296 31 33 GLN CB C 27.732 0.3 1 297 31 33 GLN CG C 33.621 0.3 1 298 31 33 GLN N N 117.110 0.3 1 299 31 33 GLN NE2 N 111.661 0.3 1 300 32 34 PHE HA H 4.551 0.020 1 301 32 34 PHE HB2 H 2.290 0.020 2 302 32 34 PHE HB3 H 3.371 0.020 2 303 32 34 PHE HD1 H 7.399 0.020 1 304 32 34 PHE HD2 H 7.399 0.020 1 305 32 34 PHE HE1 H 7.154 0.020 1 306 32 34 PHE HE2 H 7.154 0.020 1 307 32 34 PHE HZ H 7.097 0.020 1 308 32 34 PHE CA C 57.540 0.3 1 309 32 34 PHE CB C 40.387 0.3 1 310 32 34 PHE CD1 C 132.462 0.3 1 311 32 34 PHE CE1 C 130.515 0.3 1 312 32 34 PHE CZ C 129.555 0.3 1 313 32 34 PHE N N 114.473 0.3 1 314 33 35 SER HA H 3.925 0.020 1 315 33 35 SER HB2 H 3.974 0.020 1 316 33 35 SER HB3 H 3.974 0.020 1 317 33 35 SER CA C 58.846 0.3 1 318 33 35 SER CB C 61.052 0.3 1 319 33 35 SER N N 113.652 0.3 1 320 34 36 ILE HA H 3.970 0.020 1 321 34 36 ILE HB H 1.010 0.020 1 322 34 36 ILE HG12 H 0.395 0.020 2 323 34 36 ILE HG13 H 1.388 0.020 2 324 34 36 ILE HG2 H 0.002 0.020 1 325 34 36 ILE HD1 H 0.209 0.020 1 326 34 36 ILE CA C 58.227 0.3 1 327 34 36 ILE CB C 39.020 0.3 1 328 34 36 ILE CG1 C 27.189 0.3 1 329 34 36 ILE CG2 C 16.486 0.3 1 330 34 36 ILE CD1 C 13.617 0.3 1 331 34 36 ILE N N 122.257 0.3 1 332 35 37 PRO HA H 4.158 0.020 1 333 35 37 PRO HB2 H 1.755 0.020 2 334 35 37 PRO HB3 H 2.196 0.020 2 335 35 37 PRO HG2 H 1.838 0.020 2 336 35 37 PRO HG3 H 1.984 0.020 2 337 35 37 PRO HD2 H 3.347 0.020 2 338 35 37 PRO HD3 H 3.880 0.020 2 339 35 37 PRO CA C 63.986 0.3 1 340 35 37 PRO CB C 31.901 0.3 1 341 35 37 PRO CG C 27.609 0.3 1 342 35 37 PRO CD C 50.761 0.3 1 343 36 38 TYR HA H 4.652 0.020 1 344 36 38 TYR HB2 H 3.012 0.020 1 345 36 38 TYR HB3 H 3.012 0.020 1 346 36 38 TYR HD1 H 6.779 0.020 1 347 36 38 TYR HD2 H 6.779 0.020 1 348 36 38 TYR HE1 H 6.341 0.020 1 349 36 38 TYR HE2 H 6.341 0.020 1 350 36 38 TYR CA C 57.238 0.3 1 351 36 38 TYR CB C 41.453 0.3 1 352 36 38 TYR CD2 C 132.834 0.3 1 353 36 38 TYR CE2 C 118.787 0.3 1 354 36 38 TYR N N 125.280 0.3 1 355 37 39 ASP HA H 4.441 0.020 1 356 37 39 ASP HB2 H 2.233 0.020 2 357 37 39 ASP HB3 H 2.634 0.020 2 358 37 39 ASP CA C 51.992 0.3 1 359 37 39 ASP CB C 42.016 0.3 1 360 37 39 ASP N N 130.120 0.3 1 361 38 40 LYS HA H 3.144 0.020 1 362 38 40 LYS HB2 H 1.595 0.020 2 363 38 40 LYS HB3 H 1.720 0.020 2 364 38 40 LYS HG2 H 1.448 0.020 2 365 38 40 LYS HG3 H 1.102 0.020 2 366 38 40 LYS HD2 H 1.645 0.020 2 367 38 40 LYS HD3 H 1.726 0.020 2 368 38 40 LYS HE2 H 2.831 0.020 1 369 38 40 LYS HE3 H 2.831 0.020 1 370 38 40 LYS CA C 60.355 0.3 1 371 38 40 LYS CB C 33.554 0.3 1 372 38 40 LYS CG C 24.980 0.3 1 373 38 40 LYS CD C 29.996 0.3 1 374 38 40 LYS CE C 42.284 0.3 1 375 38 40 LYS N N 125.978 0.3 1 376 39 41 GLU HA H 3.944 0.020 1 377 39 41 GLU HB2 H 1.894 0.020 2 378 39 41 GLU HB3 H 1.949 0.020 2 379 39 41 GLU HG2 H 2.187 0.020 2 380 39 41 GLU HG3 H 2.269 0.020 2 381 39 41 GLU CA C 58.622 0.3 1 382 39 41 GLU CB C 28.674 0.3 1 383 39 41 GLU CG C 36.011 0.3 1 384 39 41 GLU N N 114.411 0.3 1 385 40 42 LYS HA H 4.037 0.020 1 386 40 42 LYS HB2 H 1.738 0.020 1 387 40 42 LYS HB3 H 1.738 0.020 1 388 40 42 LYS HG2 H 1.292 0.020 2 389 40 42 LYS HG3 H 1.432 0.020 2 390 40 42 LYS HD2 H 1.516 0.020 2 391 40 42 LYS HD3 H 1.599 0.020 2 392 40 42 LYS HE2 H 2.895 0.020 1 393 40 42 LYS HE3 H 2.895 0.020 1 394 40 42 LYS CA C 58.647 0.3 1 395 40 42 LYS CB C 32.272 0.3 1 396 40 42 LYS CG C 25.169 0.3 1 397 40 42 LYS CD C 28.695 0.3 1 398 40 42 LYS CE C 41.945 0.3 1 399 40 42 LYS N N 120.252 0.3 1 400 41 43 VAL HA H 3.477 0.020 1 401 41 43 VAL HB H 1.823 0.020 1 402 41 43 VAL HG1 H 0.813 0.020 1 403 41 43 VAL HG2 H 0.870 0.020 1 404 41 43 VAL CA C 67.209 0.3 1 405 41 43 VAL CB C 30.955 0.3 1 406 41 43 VAL CG1 C 22.726 0.3 1 407 41 43 VAL CG2 C 23.432 0.3 1 408 41 43 VAL N N 122.149 0.3 1 409 42 44 ARG HA H 3.528 0.020 1 410 42 44 ARG HB2 H 1.687 0.020 2 411 42 44 ARG HB3 H 1.769 0.020 2 412 42 44 ARG HG2 H 1.069 0.020 2 413 42 44 ARG HG3 H 1.179 0.020 2 414 42 44 ARG HD2 H 2.915 0.020 2 415 42 44 ARG HD3 H 3.021 0.020 2 416 42 44 ARG HE H 7.748 0.020 1 417 42 44 ARG CA C 60.002 0.3 1 418 42 44 ARG CB C 29.920 0.3 1 419 42 44 ARG CG C 26.733 0.3 1 420 42 44 ARG CD C 43.000 0.3 1 421 42 44 ARG N N 120.182 0.3 1 422 42 44 ARG NE N 83.246 0.3 1 423 43 45 GLU HA H 3.850 0.020 1 424 43 45 GLU HB2 H 2.028 0.020 1 425 43 45 GLU HB3 H 2.028 0.020 1 426 43 45 GLU HG2 H 2.158 0.020 2 427 43 45 GLU HG3 H 2.336 0.020 2 428 43 45 GLU CA C 59.047 0.3 1 429 43 45 GLU CB C 29.688 0.3 1 430 43 45 GLU CG C 36.120 0.3 1 431 43 45 GLU N N 115.453 0.3 1 432 44 46 PHE HA H 4.131 0.020 1 433 44 46 PHE HB2 H 3.213 0.020 2 434 44 46 PHE HB3 H 3.322 0.020 2 435 44 46 PHE HD1 H 7.185 0.020 1 436 44 46 PHE HD2 H 7.185 0.020 1 437 44 46 PHE HE1 H 7.186 0.020 1 438 44 46 PHE HE2 H 7.186 0.020 1 439 44 46 PHE HZ H 6.833 0.020 1 440 44 46 PHE CA C 62.113 0.3 1 441 44 46 PHE CB C 39.815 0.3 1 442 44 46 PHE CD1 C 132.340 0.3 1 443 44 46 PHE CE1 C 131.247 0.3 1 444 44 46 PHE CZ C 129.394 0.3 1 445 44 46 PHE N N 119.694 0.3 1 446 45 47 ILE HA H 3.892 0.020 1 447 45 47 ILE HB H 1.964 0.020 1 448 45 47 ILE HG12 H 1.387 0.020 2 449 45 47 ILE HG13 H 1.511 0.020 2 450 45 47 ILE HG2 H 1.023 0.020 1 451 45 47 ILE HD1 H 0.687 0.020 1 452 45 47 ILE CA C 64.764 0.3 1 453 45 47 ILE CB C 37.783 0.3 1 454 45 47 ILE CG1 C 26.165 0.3 1 455 45 47 ILE CG2 C 19.028 0.3 1 456 45 47 ILE CD1 C 14.398 0.3 1 457 45 47 ILE N N 113.389 0.3 1 458 46 48 PHE HA H 4.249 0.020 1 459 46 48 PHE HB2 H 2.954 0.020 2 460 46 48 PHE HB3 H 3.028 0.020 2 461 46 48 PHE HD1 H 7.012 0.020 1 462 46 48 PHE HD2 H 7.012 0.020 1 463 46 48 PHE HE1 H 6.841 0.020 1 464 46 48 PHE HE2 H 6.841 0.020 1 465 46 48 PHE CA C 59.203 0.3 1 466 46 48 PHE CB C 38.529 0.3 1 467 46 48 PHE CD1 C 130.658 0.3 1 468 46 48 PHE CE1 C 130.717 0.3 1 469 46 48 PHE N N 119.349 0.3 1 470 47 49 LYS HA H 3.793 0.020 1 471 47 49 LYS HB2 H 0.972 0.020 2 472 47 49 LYS HB3 H 1.320 0.020 2 473 47 49 LYS HG2 H 0.505 0.020 2 474 47 49 LYS HG3 H 0.979 0.020 2 475 47 49 LYS HD2 H 1.332 0.020 2 476 47 49 LYS HD3 H 1.373 0.020 2 477 47 49 LYS HE2 H 2.731 0.020 2 478 47 49 LYS HE3 H 2.752 0.020 2 479 47 49 LYS CA C 58.171 0.3 1 480 47 49 LYS CB C 33.615 0.3 1 481 47 49 LYS CG C 24.907 0.3 1 482 47 49 LYS CD C 29.185 0.3 1 483 47 49 LYS CE C 41.849 0.3 1 484 47 49 LYS N N 119.458 0.3 1 485 48 50 TYR HA H 4.640 0.020 1 486 48 50 TYR HB2 H 2.291 0.020 2 487 48 50 TYR HB3 H 3.139 0.020 2 488 48 50 TYR HD1 H 6.264 0.020 1 489 48 50 TYR HD2 H 6.264 0.020 1 490 48 50 TYR HE1 H 6.490 0.020 1 491 48 50 TYR HE2 H 6.490 0.020 1 492 48 50 TYR CA C 56.263 0.3 1 493 48 50 TYR CB C 36.947 0.3 1 494 48 50 TYR CD1 C 133.681 0.3 1 495 48 50 TYR CE1 C 117.165 0.3 1 496 48 50 TYR N N 119.211 0.3 1 497 49 51 SER HA H 4.790 0.020 1 498 49 51 SER HB2 H 4.281 0.020 2 499 49 51 SER HB3 H 4.366 0.020 2 500 49 51 SER CA C 57.955 0.3 1 501 49 51 SER CB C 65.271 0.3 1 502 49 51 SER N N 110.613 0.3 1 503 50 52 VAL HA H 3.689 0.020 1 504 50 52 VAL HB H 2.187 0.020 1 505 50 52 VAL HG1 H 0.804 0.020 1 506 50 52 VAL HG2 H 1.080 0.020 1 507 50 52 VAL CA C 66.710 0.3 1 508 50 52 VAL CB C 31.236 0.3 1 509 50 52 VAL CG1 C 20.952 0.3 1 510 50 52 VAL CG2 C 23.451 0.3 1 511 51 53 GLN HA H 3.907 0.020 1 512 51 53 GLN HB2 H 1.857 0.020 2 513 51 53 GLN HB3 H 2.061 0.020 2 514 51 53 GLN HG2 H 2.243 0.020 2 515 51 53 GLN HG3 H 2.316 0.020 2 516 51 53 GLN HE21 H 6.916 0.020 1 517 51 53 GLN HE22 H 7.288 0.020 1 518 51 53 GLN CA C 59.509 0.3 1 519 51 53 GLN CB C 27.360 0.3 1 520 51 53 GLN CG C 33.219 0.3 1 521 51 53 GLN N N 120.020 0.3 1 522 51 53 GLN NE2 N 111.077 0.3 1 523 52 54 ASP HA H 4.307 0.020 1 524 52 54 ASP HB2 H 2.704 0.020 2 525 52 54 ASP HB3 H 2.785 0.020 2 526 52 54 ASP CA C 57.493 0.3 1 527 52 54 ASP CB C 40.877 0.3 1 528 52 54 ASP N N 116.384 0.3 1 529 53 55 LEU HA H 3.636 0.020 1 530 53 55 LEU HB2 H 1.569 0.020 2 531 53 55 LEU HB3 H 2.329 0.020 2 532 53 55 LEU HG H 1.447 0.020 1 533 53 55 LEU HD1 H 0.428 0.020 1 534 53 55 LEU HD2 H 0.910 0.020 1 535 53 55 LEU CA C 57.677 0.3 1 536 53 55 LEU CB C 40.864 0.3 1 537 53 55 LEU CG C 27.139 0.3 1 538 53 55 LEU CD1 C 21.883 0.3 1 539 53 55 LEU CD2 C 28.201 0.3 1 540 53 55 LEU N N 121.833 0.3 1 541 54 56 LEU HA H 3.877 0.020 1 542 54 56 LEU HB2 H 1.221 0.020 2 543 54 56 LEU HB3 H 1.836 0.020 2 544 54 56 LEU HG H 1.925 0.020 1 545 54 56 LEU HD1 H 0.749 0.020 1 546 54 56 LEU HD2 H 0.770 0.020 1 547 54 56 LEU CA C 57.851 0.3 1 548 54 56 LEU CB C 40.004 0.3 1 549 54 56 LEU CG C 26.969 0.3 1 550 54 56 LEU CD1 C 22.014 0.3 1 551 54 56 LEU CD2 C 25.576 0.3 1 552 54 56 LEU N N 117.282 0.3 1 553 55 57 VAL HA H 3.436 0.020 1 554 55 57 VAL HB H 2.041 0.020 1 555 55 57 VAL HG1 H 0.853 0.020 1 556 55 57 VAL HG2 H 1.037 0.020 1 557 55 57 VAL CA C 66.618 0.3 1 558 55 57 VAL CB C 31.999 0.3 1 559 55 57 VAL CG1 C 20.920 0.3 1 560 55 57 VAL CG2 C 23.396 0.3 1 561 55 57 VAL N N 118.307 0.3 1 562 56 58 ARG HA H 3.982 0.020 1 563 56 58 ARG HB2 H 1.847 0.020 1 564 56 58 ARG HB3 H 1.847 0.020 1 565 56 58 ARG HG2 H 1.523 0.020 2 566 56 58 ARG HG3 H 1.590 0.020 2 567 56 58 ARG HD2 H 3.070 0.020 1 568 56 58 ARG HD3 H 3.070 0.020 1 569 56 58 ARG HE H 7.286 0.020 1 570 56 58 ARG CA C 58.609 0.3 1 571 56 58 ARG CB C 29.933 0.3 1 572 56 58 ARG CG C 26.467 0.3 1 573 56 58 ARG CD C 43.096 0.3 1 574 56 58 ARG N N 119.881 0.3 1 575 56 58 ARG NE N 85.310 0.3 1 576 57 59 VAL HA H 3.730 0.020 1 577 57 59 VAL HB H 1.780 0.020 1 578 57 59 VAL HG1 H 0.797 0.020 1 579 57 59 VAL HG2 H 0.591 0.020 1 580 57 59 VAL CA C 64.976 0.3 1 581 57 59 VAL CB C 31.216 0.3 1 582 57 59 VAL CG1 C 21.228 0.3 1 583 57 59 VAL CG2 C 21.535 0.3 1 584 57 59 VAL N N 115.815 0.3 1 585 58 60 ALA HA H 3.640 0.020 1 586 58 60 ALA HB H 1.294 0.020 1 587 58 60 ALA CA C 55.345 0.3 1 588 58 60 ALA CB C 17.556 0.3 1 589 58 60 ALA N N 122.132 0.3 1 590 59 61 GLU HA H 4.004 0.020 1 591 59 61 GLU HB2 H 1.983 0.020 2 592 59 61 GLU HB3 H 2.105 0.020 2 593 59 61 GLU HG2 H 2.182 0.020 2 594 59 61 GLU HG3 H 2.364 0.020 2 595 59 61 GLU CA C 58.871 0.3 1 596 59 61 GLU CB C 29.244 0.3 1 597 59 61 GLU CG C 36.236 0.3 1 598 59 61 GLU N N 117.496 0.3 1 599 60 62 ASP HA H 4.298 0.020 1 600 60 62 ASP HB2 H 2.540 0.020 2 601 60 62 ASP HB3 H 2.649 0.020 2 602 60 62 ASP CA C 56.881 0.3 1 603 60 62 ASP CB C 41.121 0.3 1 604 60 62 ASP N N 118.807 0.3 1 605 61 63 ARG HA H 4.312 0.020 1 606 61 63 ARG HB2 H 1.380 0.020 2 607 61 63 ARG HB3 H 1.951 0.020 2 608 61 63 ARG HG2 H 1.447 0.020 2 609 61 63 ARG HG3 H 1.523 0.020 2 610 61 63 ARG HD2 H 2.978 0.020 1 611 61 63 ARG HD3 H 2.978 0.020 1 612 61 63 ARG HE H 7.525 0.020 1 613 61 63 ARG CA C 54.130 0.3 1 614 61 63 ARG CB C 29.993 0.3 1 615 61 63 ARG CG C 27.372 0.3 1 616 61 63 ARG CD C 42.322 0.3 1 617 61 63 ARG N N 114.261 0.3 1 618 61 63 ARG NE N 83.709 0.3 1 619 62 64 ASN HA H 4.329 0.020 1 620 62 64 ASN HB2 H 2.659 0.020 2 621 62 64 ASN HB3 H 3.023 0.020 2 622 62 64 ASN HD21 H 7.410 0.020 1 623 62 64 ASN HD22 H 6.704 0.020 1 624 62 64 ASN CA C 54.228 0.3 1 625 62 64 ASN CB C 36.795 0.3 1 626 62 64 ASN N N 117.542 0.3 1 627 62 64 ASN ND2 N 111.835 0.3 1 628 63 65 LEU HA H 4.536 0.020 1 629 63 65 LEU HB2 H 1.059 0.020 1 630 63 65 LEU HB3 H 1.059 0.020 1 631 63 65 LEU HG H 1.336 0.020 1 632 63 65 LEU HD1 H 0.426 0.020 1 633 63 65 LEU HD2 H 0.729 0.020 1 634 63 65 LEU CA C 52.588 0.3 1 635 63 65 LEU CB C 45.196 0.3 1 636 63 65 LEU CG C 26.130 0.3 1 637 63 65 LEU CD1 C 26.101 0.3 1 638 63 65 LEU CD2 C 22.582 0.3 1 639 63 65 LEU N N 117.915 0.3 1 640 64 66 ASP HA H 4.585 0.020 1 641 64 66 ASP HB2 H 2.460 0.020 2 642 64 66 ASP HB3 H 2.715 0.020 2 643 64 66 ASP CA C 52.711 0.3 1 644 64 66 ASP CB C 41.699 0.3 1 645 64 66 ASP N N 120.276 0.3 1 646 65 67 VAL HA H 3.408 0.020 1 647 65 67 VAL HB H 1.922 0.020 1 648 65 67 VAL HG1 H 0.850 0.020 1 649 65 67 VAL HG2 H 0.833 0.020 1 650 65 67 VAL CA C 65.238 0.3 1 651 65 67 VAL CB C 31.564 0.3 1 652 65 67 VAL CG1 C 19.812 0.3 1 653 65 67 VAL CG2 C 22.669 0.3 1 654 65 67 VAL N N 128.221 0.3 1 655 66 68 GLU HA H 4.119 0.020 1 656 66 68 GLU HB2 H 1.946 0.020 1 657 66 68 GLU HB3 H 1.946 0.020 1 658 66 68 GLU HG2 H 2.190 0.020 2 659 66 68 GLU HG3 H 2.277 0.020 2 660 66 68 GLU CA C 58.740 0.3 1 661 66 68 GLU CB C 28.611 0.3 1 662 66 68 GLU CG C 35.864 0.3 1 663 66 68 GLU N N 120.317 0.3 1 664 67 69 VAL HA H 3.704 0.020 1 665 67 69 VAL HB H 2.189 0.020 1 666 67 69 VAL HG1 H 0.976 0.020 1 667 67 69 VAL HG2 H 0.991 0.020 1 668 67 69 VAL CA C 65.671 0.3 1 669 67 69 VAL CB C 31.416 0.3 1 670 67 69 VAL CG1 C 22.266 0.3 1 671 67 69 VAL CG2 C 21.170 0.3 1 672 67 69 VAL N N 120.128 0.3 1 673 68 70 LEU HA H 3.720 0.020 1 674 68 70 LEU HB2 H 1.139 0.020 2 675 68 70 LEU HB3 H 1.744 0.020 2 676 68 70 LEU HG H 1.204 0.020 1 677 68 70 LEU HD1 H 0.110 0.020 1 678 68 70 LEU HD2 H 0.430 0.020 1 679 68 70 LEU CA C 58.337 0.3 1 680 68 70 LEU CB C 41.701 0.3 1 681 68 70 LEU CG C 27.057 0.3 1 682 68 70 LEU CD1 C 23.427 0.3 1 683 68 70 LEU CD2 C 26.214 0.3 1 684 68 70 LEU N N 118.223 0.3 1 685 69 71 ASN HA H 4.258 0.020 1 686 69 71 ASN HB2 H 2.669 0.020 2 687 69 71 ASN HB3 H 2.763 0.020 2 688 69 71 ASN HD21 H 7.363 0.020 1 689 69 71 ASN HD22 H 6.928 0.020 1 690 69 71 ASN CA C 55.971 0.3 1 691 69 71 ASN CB C 38.425 0.3 1 692 69 71 ASN N N 115.822 0.3 1 693 69 71 ASN ND2 N 112.222 0.3 1 694 70 72 GLN HA H 4.012 0.020 1 695 70 72 GLN HB2 H 2.120 0.020 2 696 70 72 GLN HB3 H 2.191 0.020 2 697 70 72 GLN HG2 H 2.341 0.020 2 698 70 72 GLN HG3 H 2.470 0.020 2 699 70 72 GLN HE21 H 7.422 0.020 1 700 70 72 GLN HE22 H 6.694 0.020 1 701 70 72 GLN CA C 58.849 0.3 1 702 70 72 GLN CB C 28.149 0.3 1 703 70 72 GLN CG C 33.612 0.3 1 704 70 72 GLN N N 121.411 0.3 1 705 70 72 GLN NE2 N 111.273 0.3 1 706 71 73 VAL HA H 3.613 0.020 1 707 71 73 VAL HB H 2.227 0.020 1 708 71 73 VAL HG1 H 1.033 0.020 1 709 71 73 VAL HG2 H 1.210 0.020 1 710 71 73 VAL CA C 66.367 0.3 1 711 71 73 VAL CB C 31.585 0.3 1 712 71 73 VAL CG1 C 22.339 0.3 1 713 71 73 VAL CG2 C 23.375 0.3 1 714 71 73 VAL N N 120.434 0.3 1 715 72 74 ARG HA H 3.834 0.020 1 716 72 74 ARG HB2 H 1.856 0.020 1 717 72 74 ARG HB3 H 1.856 0.020 1 718 72 74 ARG HG2 H 1.322 0.020 2 719 72 74 ARG HG3 H 1.420 0.020 2 720 72 74 ARG HD2 H 2.792 0.020 2 721 72 74 ARG HD3 H 3.159 0.020 2 722 72 74 ARG HE H 7.627 0.020 1 723 72 74 ARG CA C 59.718 0.3 1 724 72 74 ARG CB C 30.068 0.3 1 725 72 74 ARG CG C 27.894 0.3 1 726 72 74 ARG CD C 43.785 0.3 1 727 72 74 ARG N N 122.174 0.3 1 728 72 74 ARG NE N 82.911 0.3 1 729 73 75 ALA HA H 3.953 0.020 1 730 73 75 ALA HB H 1.445 0.020 1 731 73 75 ALA CA C 54.381 0.3 1 732 73 75 ALA CB C 18.135 0.3 1 733 73 75 ALA N N 120.614 0.3 1 734 74 76 GLN HA H 4.275 0.020 1 735 74 76 GLN HB2 H 1.999 0.020 2 736 74 76 GLN HB3 H 2.225 0.020 2 737 74 76 GLN HG2 H 2.365 0.020 2 738 74 76 GLN HG3 H 2.472 0.020 2 739 74 76 GLN HE21 H 7.397 0.020 1 740 74 76 GLN HE22 H 6.779 0.020 1 741 74 76 GLN CA C 54.842 0.3 1 742 74 76 GLN CB C 28.863 0.3 1 743 74 76 GLN CG C 33.596 0.3 1 744 74 76 GLN N N 114.424 0.3 1 745 74 76 GLN NE2 N 111.725 0.3 1 746 75 77 SER HA H 4.222 0.020 1 747 75 77 SER HB2 H 3.850 0.020 2 748 75 77 SER HB3 H 4.109 0.020 2 749 75 77 SER CA C 58.931 0.3 1 750 75 77 SER CB C 63.641 0.3 1 751 75 77 SER N N 113.737 0.3 1 752 76 78 LEU HA H 4.049 0.020 1 753 76 78 LEU HB2 H 1.482 0.020 2 754 76 78 LEU HB3 H 1.744 0.020 2 755 76 78 LEU HG H 1.710 0.020 1 756 76 78 LEU HD1 H 0.793 0.020 1 757 76 78 LEU HD2 H 0.848 0.020 1 758 76 78 LEU CA C 56.992 0.3 1 759 76 78 LEU CB C 41.652 0.3 1 760 76 78 LEU CG C 26.844 0.3 1 761 76 78 LEU CD1 C 23.465 0.3 1 762 76 78 LEU CD2 C 24.692 0.3 1 763 76 78 LEU N N 132.236 0.3 1 764 77 79 ALA HA H 3.905 0.020 1 765 77 79 ALA HB H 1.167 0.020 1 766 77 79 ALA CA C 54.677 0.3 1 767 77 79 ALA CB C 18.300 0.3 1 768 77 79 ALA N N 122.734 0.3 1 769 78 80 GLU HA H 3.849 0.020 1 770 78 80 GLU HB2 H 1.775 0.020 1 771 78 80 GLU HB3 H 1.775 0.020 1 772 78 80 GLU HG2 H 1.913 0.020 2 773 78 80 GLU HG3 H 1.964 0.020 2 774 78 80 GLU CA C 58.714 0.3 1 775 78 80 GLU CB C 29.120 0.3 1 776 78 80 GLU CG C 36.045 0.3 1 777 78 80 GLU N N 116.091 0.3 1 778 79 81 LYS HA H 3.940 0.020 1 779 79 81 LYS HB2 H 1.776 0.020 2 780 79 81 LYS HB3 H 1.810 0.020 2 781 79 81 LYS HG2 H 1.357 0.020 2 782 79 81 LYS HG3 H 1.430 0.020 2 783 79 81 LYS HD2 H 1.557 0.020 1 784 79 81 LYS HD3 H 1.557 0.020 1 785 79 81 LYS HE2 H 2.868 0.020 1 786 79 81 LYS HE3 H 2.868 0.020 1 787 79 81 LYS CA C 58.657 0.3 1 788 79 81 LYS CB C 32.541 0.3 1 789 79 81 LYS CG C 24.652 0.3 1 790 79 81 LYS CD C 28.920 0.3 1 791 79 81 LYS CE C 41.980 0.3 1 792 79 81 LYS N N 119.239 0.3 1 793 80 82 ASN HA H 4.577 0.020 1 794 80 82 ASN HB2 H 2.630 0.020 2 795 80 82 ASN HB3 H 2.793 0.020 2 796 80 82 ASN HD21 H 7.438 0.020 1 797 80 82 ASN HD22 H 6.814 0.020 1 798 80 82 ASN CA C 52.937 0.3 1 799 80 82 ASN CB C 38.585 0.3 1 800 80 82 ASN N N 114.534 0.3 1 801 80 82 ASN ND2 N 111.676 0.3 1 802 81 83 ALA HA H 4.126 0.020 1 803 81 83 ALA HB H 1.346 0.020 1 804 81 83 ALA CA C 52.384 0.3 1 805 81 83 ALA CB C 19.065 0.3 1 806 81 83 ALA N N 123.795 0.3 1 807 82 84 GLN HA H 4.246 0.020 1 808 82 84 GLN HB2 H 1.898 0.020 2 809 82 84 GLN HB3 H 1.938 0.020 2 810 82 84 GLN HG2 H 2.191 0.020 2 811 82 84 GLN HG3 H 2.248 0.020 2 812 82 84 GLN HE21 H 6.766 0.020 1 813 82 84 GLN HE22 H 7.421 0.020 1 814 82 84 GLN CA C 55.792 0.3 1 815 82 84 GLN CB C 28.931 0.3 1 816 82 84 GLN CG C 33.885 0.3 1 817 82 84 GLN N N 120.773 0.3 1 818 82 84 GLN NE2 N 112.419 0.3 1 819 83 85 VAL HA H 4.179 0.020 1 820 83 85 VAL HB H 1.840 0.020 1 821 83 85 VAL HG1 H 0.722 0.020 1 822 83 85 VAL HG2 H 0.793 0.020 1 823 83 85 VAL CA C 61.998 0.3 1 824 83 85 VAL CB C 33.163 0.3 1 825 83 85 VAL CG1 C 22.929 0.3 1 826 83 85 VAL CG2 C 21.286 0.3 1 827 83 85 VAL N N 124.751 0.3 1 828 84 86 VAL HA H 4.637 0.020 1 829 84 86 VAL HB H 2.300 0.020 1 830 84 86 VAL HG1 H 0.851 0.020 1 831 84 86 VAL HG2 H 0.870 0.020 1 832 84 86 VAL CA C 58.712 0.3 1 833 84 86 VAL CB C 35.158 0.3 1 834 84 86 VAL CG1 C 21.394 0.3 1 835 84 86 VAL CG2 C 18.566 0.3 1 836 84 86 VAL N N 117.432 0.3 1 837 85 87 LEU HA H 4.584 0.020 1 838 85 87 LEU HB2 H 1.588 0.020 2 839 85 87 LEU HB3 H 1.740 0.020 2 840 85 87 LEU HG H 1.753 0.020 1 841 85 87 LEU HD1 H 0.604 0.020 1 842 85 87 LEU HD2 H 0.841 0.020 1 843 85 87 LEU CA C 54.538 0.3 1 844 85 87 LEU CB C 42.554 0.3 1 845 85 87 LEU CG C 26.979 0.3 1 846 85 87 LEU CD1 C 22.899 0.3 1 847 85 87 LEU CD2 C 26.440 0.3 1 848 85 87 LEU N N 119.969 0.3 1 849 86 88 MET HA H 4.493 0.020 1 850 86 88 MET HB2 H 1.684 0.020 2 851 86 88 MET HB3 H 1.894 0.020 2 852 86 88 MET HG2 H 1.898 0.020 2 853 86 88 MET HG3 H 2.395 0.020 2 854 86 88 MET HE H 1.988 0.020 1 855 86 88 MET CA C 53.201 0.3 1 856 86 88 MET CB C 31.619 0.3 1 857 86 88 MET CG C 32.408 0.3 1 858 86 88 MET CE C 16.795 0.3 1 859 86 88 MET N N 120.935 0.3 1 860 87 89 PRO HA H 4.343 0.020 1 861 87 89 PRO HB2 H 1.838 0.020 2 862 87 89 PRO HB3 H 2.301 0.020 2 863 87 89 PRO HG2 H 2.001 0.020 2 864 87 89 PRO HG3 H 2.116 0.020 2 865 87 89 PRO HD2 H 3.554 0.020 2 866 87 89 PRO HD3 H 4.053 0.020 2 867 87 89 PRO CA C 64.058 0.3 1 868 87 89 PRO CB C 31.414 0.3 1 869 87 89 PRO CG C 27.949 0.3 1 870 87 89 PRO CD C 50.754 0.3 1 871 88 90 GLY HA2 H 3.864 0.020 1 872 88 90 GLY CA C 45.567 0.3 1 873 88 90 GLY N N 113.384 0.3 1 874 89 91 ALA HA H 3.863 0.020 1 875 89 91 ALA HB H 1.367 0.020 1 876 89 91 ALA CA C 55.435 0.3 1 877 89 91 ALA CB C 20.206 0.3 1 878 89 91 ALA N N 123.112 0.3 1 879 90 92 ARG HA H 3.524 0.020 1 880 90 92 ARG HB2 H 1.623 0.020 2 881 90 92 ARG HB3 H 1.689 0.020 2 882 90 92 ARG HG2 H 1.497 0.020 2 883 90 92 ARG HG3 H 1.578 0.020 2 884 90 92 ARG HD2 H 3.083 0.020 2 885 90 92 ARG HD3 H 3.216 0.020 2 886 90 92 ARG HE H 7.309 0.020 1 887 90 92 ARG CA C 60.278 0.3 1 888 90 92 ARG CB C 29.361 0.3 1 889 90 92 ARG CG C 28.376 0.3 1 890 90 92 ARG CD C 42.824 0.3 1 891 90 92 ARG N N 116.517 0.3 1 892 90 92 ARG NE N 83.561 0.3 1 893 91 93 GLU HA H 3.904 0.020 1 894 91 93 GLU HB2 H 1.833 0.020 2 895 91 93 GLU HB3 H 2.106 0.020 2 896 91 93 GLU HG2 H 2.154 0.020 2 897 91 93 GLU HG3 H 2.476 0.020 2 898 91 93 GLU CA C 60.710 0.3 1 899 91 93 GLU CB C 28.357 0.3 1 900 91 93 GLU CG C 37.580 0.3 1 901 91 93 GLU N N 117.674 0.3 1 902 92 94 VAL HA H 4.231 0.020 1 903 92 94 VAL HB H 2.101 0.020 1 904 92 94 VAL HG1 H 1.203 0.020 1 905 92 94 VAL HG2 H 1.311 0.020 1 906 92 94 VAL CA C 65.955 0.3 1 907 92 94 VAL CB C 31.110 0.3 1 908 92 94 VAL CG1 C 23.551 0.3 1 909 92 94 VAL CG2 C 22.050 0.3 1 910 92 94 VAL N N 121.435 0.3 1 911 93 95 LEU HA H 3.958 0.020 1 912 93 95 LEU HB2 H -0.141 0.020 2 913 93 95 LEU HB3 H 1.266 0.020 2 914 93 95 LEU HG H 1.412 0.020 1 915 93 95 LEU HD1 H 0.182 0.020 1 916 93 95 LEU HD2 H 0.405 0.020 1 917 93 95 LEU CA C 58.084 0.3 1 918 93 95 LEU CB C 40.955 0.3 1 919 93 95 LEU CG C 26.180 0.3 1 920 93 95 LEU CD1 C 23.202 0.3 1 921 93 95 LEU CD2 C 25.006 0.3 1 922 93 95 LEU N N 122.574 0.3 1 923 94 96 ALA HA H 3.922 0.020 1 924 94 96 ALA HB H 1.431 0.020 1 925 94 96 ALA CA C 54.930 0.3 1 926 94 96 ALA CB C 18.285 0.3 1 927 94 96 ALA N N 118.710 0.3 1 928 95 97 TRP HA H 4.073 0.020 1 929 95 97 TRP HB2 H 3.329 0.020 2 930 95 97 TRP HB3 H 3.530 0.020 2 931 95 97 TRP HD1 H 7.221 0.020 1 932 95 97 TRP HE1 H 10.052 0.020 1 933 95 97 TRP HE3 H 7.680 0.020 1 934 95 97 TRP HZ2 H 7.261 0.020 1 935 95 97 TRP HZ3 H 6.681 0.020 1 936 95 97 TRP HH2 H 6.607 0.020 1 937 95 97 TRP CA C 61.147 0.3 1 938 95 97 TRP CB C 27.769 0.3 1 939 95 97 TRP CD1 C 126.914 0.3 1 940 95 97 TRP CE3 C 120.079 0.3 1 941 95 97 TRP CZ2 C 114.275 0.3 1 942 95 97 TRP CZ3 C 120.115 0.3 1 943 95 97 TRP CH2 C 123.612 0.3 1 944 95 97 TRP N N 121.304 0.3 1 945 95 97 TRP NE1 N 130.900 0.3 1 946 96 98 ALA HA H 2.621 0.020 1 947 96 98 ALA HB H 1.169 0.020 1 948 96 98 ALA CA C 54.953 0.3 1 949 96 98 ALA CB C 17.740 0.3 1 950 96 98 ALA N N 125.853 0.3 1 951 97 99 ASP HA H 4.162 0.020 1 952 97 99 ASP HB2 H 2.658 0.020 2 953 97 99 ASP HB3 H 2.719 0.020 2 954 97 99 ASP CA C 57.550 0.3 1 955 97 99 ASP CB C 43.189 0.3 1 956 97 99 ASP N N 118.094 0.3 1 957 98 100 GLU HA H 3.828 0.020 1 958 98 100 GLU HB2 H 1.896 0.020 2 959 98 100 GLU HB3 H 1.995 0.020 2 960 98 100 GLU HG2 H 2.243 0.020 1 961 98 100 GLU HG3 H 2.243 0.020 1 962 98 100 GLU CA C 58.620 0.3 1 963 98 100 GLU CB C 29.005 0.3 1 964 98 100 GLU CG C 36.040 0.3 1 965 98 100 GLU N N 120.130 0.3 1 966 99 101 SER HA H 4.021 0.020 1 967 99 101 SER HB2 H 2.928 0.020 2 968 99 101 SER HB3 H 3.265 0.020 2 969 99 101 SER CA C 58.908 0.3 1 970 99 101 SER CB C 62.867 0.3 1 971 99 101 SER N N 112.957 0.3 1 972 100 102 GLY HA2 H 3.571 0.020 1 973 100 102 GLY CA C 45.374 0.3 1 974 100 102 GLY N N 108.185 0.3 1 975 101 103 ILE HA H 3.415 0.020 1 976 101 103 ILE HB H 0.861 0.020 1 977 101 103 ILE HG12 H -0.051 0.020 2 978 101 103 ILE HG13 H 0.720 0.020 2 979 101 103 ILE HG2 H -0.533 0.020 1 980 101 103 ILE HD1 H -0.482 0.020 1 981 101 103 ILE CA C 61.293 0.3 1 982 101 103 ILE CB C 37.746 0.3 1 983 101 103 ILE CG1 C 28.102 0.3 1 984 101 103 ILE CG2 C 14.762 0.3 1 985 101 103 ILE CD1 C 12.944 0.3 1 986 101 103 ILE N N 123.259 0.3 1 987 102 104 GLN HA H 3.988 0.020 1 988 102 104 GLN HB2 H 1.805 0.020 1 989 102 104 GLN HB3 H 1.805 0.020 1 990 102 104 GLN HG2 H 1.944 0.020 2 991 102 104 GLN HG3 H 2.198 0.020 2 992 102 104 GLN HE21 H 6.609 0.020 1 993 102 104 GLN HE22 H 7.104 0.020 1 994 102 104 GLN CA C 56.172 0.3 1 995 102 104 GLN CB C 30.265 0.3 1 996 102 104 GLN CG C 34.847 0.3 1 997 102 104 GLN N N 128.828 0.3 1 998 102 104 GLN NE2 N 109.481 0.3 1 999 103 105 GLN HA H 5.871 0.020 1 1000 103 105 GLN HB2 H 2.068 0.020 1 1001 103 105 GLN HB3 H 2.068 0.020 1 1002 103 105 GLN HG2 H 1.624 0.020 2 1003 103 105 GLN HG3 H 2.515 0.020 2 1004 103 105 GLN HE21 H 8.130 0.020 1 1005 103 105 GLN HE22 H 5.658 0.020 1 1006 103 105 GLN CA C 55.881 0.3 1 1007 103 105 GLN CB C 33.253 0.3 1 1008 103 105 GLN CG C 37.391 0.3 1 1009 103 105 GLN N N 121.585 0.3 1 1010 103 105 GLN NE2 N 107.655 0.3 1 1011 104 106 PHE HA H 5.377 0.020 1 1012 104 106 PHE HB2 H 2.763 0.020 2 1013 104 106 PHE HB3 H 3.265 0.020 2 1014 104 106 PHE HD1 H 7.133 0.020 1 1015 104 106 PHE HD2 H 7.133 0.020 1 1016 104 106 PHE HE1 H 6.403 0.020 1 1017 104 106 PHE HE2 H 6.403 0.020 1 1018 104 106 PHE HZ H 6.247 0.020 1 1019 104 106 PHE CA C 55.957 0.3 1 1020 104 106 PHE CB C 44.324 0.3 1 1021 104 106 PHE CD2 C 131.781 0.3 1 1022 104 106 PHE CE2 C 131.285 0.3 1 1023 104 106 PHE CZ C 129.005 0.3 1 1024 104 106 PHE N N 120.327 0.3 1 1025 105 107 ILE HA H 5.277 0.020 1 1026 105 107 ILE HB H 1.373 0.020 1 1027 105 107 ILE HG12 H 0.525 0.020 2 1028 105 107 ILE HG13 H 0.803 0.020 2 1029 105 107 ILE HG2 H 0.713 0.020 1 1030 105 107 ILE HD1 H -0.389 0.020 1 1031 105 107 ILE CA C 59.076 0.3 1 1032 105 107 ILE CB C 43.036 0.3 1 1033 105 107 ILE CG1 C 28.768 0.3 1 1034 105 107 ILE CG2 C 17.370 0.3 1 1035 105 107 ILE CD1 C 13.676 0.3 1 1036 105 107 ILE N N 120.427 0.3 1 1037 106 108 TYR HA H 5.706 0.020 1 1038 106 108 TYR HB2 H 2.676 0.020 2 1039 106 108 TYR HB3 H 2.803 0.020 2 1040 106 108 TYR HD1 H 6.598 0.020 1 1041 106 108 TYR HD2 H 6.598 0.020 1 1042 106 108 TYR HE1 H 6.300 0.020 1 1043 106 108 TYR HE2 H 6.300 0.020 1 1044 106 108 TYR CA C 56.801 0.3 1 1045 106 108 TYR CB C 38.800 0.3 1 1046 106 108 TYR CD2 C 131.621 0.3 1 1047 106 108 TYR CE2 C 118.688 0.3 1 1048 106 108 TYR N N 123.027 0.3 1 1049 107 109 THR HA H 4.737 0.020 1 1050 107 109 THR HB H 3.772 0.020 1 1051 107 109 THR HG2 H 1.091 0.020 1 1052 107 109 THR CA C 57.450 0.3 1 1053 107 109 THR CB C 70.580 0.3 1 1054 107 109 THR CG2 C 18.510 0.3 1 1055 107 109 THR N N 124.164 0.3 1 1056 108 110 HIS HB2 H 3.165 0.020 2 1057 108 110 HIS HB3 H 3.202 0.020 2 1058 108 110 HIS HD2 H 6.412 0.020 1 1059 108 110 HIS HE1 H 7.642 0.020 1 1060 108 110 HIS CB C 29.242 0.3 1 1061 108 110 HIS CD2 C 122.623 0.3 1 1062 108 110 HIS CE1 C 137.760 0.3 1 1063 109 111 LYS HA H 4.124 0.020 1 1064 109 111 LYS HB2 H 1.704 0.020 2 1065 109 111 LYS HB3 H 1.778 0.020 2 1066 109 111 LYS HG2 H 1.598 0.020 2 1067 109 111 LYS HG3 H 1.669 0.020 2 1068 109 111 LYS HD2 H 1.239 0.020 2 1069 109 111 LYS HD3 H 1.620 0.020 2 1070 109 111 LYS HE2 H 2.614 0.020 2 1071 109 111 LYS HE3 H 2.667 0.020 2 1072 109 111 LYS CA C 57.887 0.3 1 1073 109 111 LYS CB C 33.884 0.3 1 1074 109 111 LYS CG C 24.759 0.3 1 1075 109 111 LYS CD C 29.091 0.3 1 1076 109 111 LYS CE C 40.760 0.3 1 1077 109 111 LYS N N 125.156 0.3 1 1078 110 112 GLY HA2 H 3.773 0.020 1 1079 110 112 GLY CA C 44.252 0.3 1 1080 110 112 GLY N N 107.585 0.3 1 1081 111 113 ASN HA H 4.577 0.020 1 1082 111 113 ASN HB2 H 2.831 0.020 2 1083 111 113 ASN HB3 H 3.002 0.020 2 1084 111 113 ASN HD21 H 6.931 0.020 1 1085 111 113 ASN HD22 H 7.576 0.020 1 1086 111 113 ASN CA C 55.173 0.3 1 1087 111 113 ASN CB C 37.272 0.3 1 1088 111 113 ASN N N 116.521 0.3 1 1089 111 113 ASN ND2 N 111.195 0.3 1 1090 112 114 ASN HA H 4.578 0.020 1 1091 112 114 ASN HB2 H 2.784 0.020 2 1092 112 114 ASN HB3 H 2.876 0.020 2 1093 112 114 ASN HD21 H 7.683 0.020 1 1094 112 114 ASN HD22 H 6.870 0.020 1 1095 112 114 ASN CA C 55.348 0.3 1 1096 112 114 ASN CB C 35.821 0.3 1 1097 112 114 ASN N N 119.869 0.3 1 1098 112 114 ASN ND2 N 112.464 0.3 1 1099 113 115 ALA HA H 3.547 0.020 1 1100 113 115 ALA HB H 0.967 0.020 1 1101 113 115 ALA CA C 55.663 0.3 1 1102 113 115 ALA CB C 18.456 0.3 1 1103 113 115 ALA N N 120.951 0.3 1 1104 114 116 PHE HA H 3.822 0.020 1 1105 114 116 PHE HB2 H 3.020 0.020 2 1106 114 116 PHE HB3 H 3.132 0.020 2 1107 114 116 PHE HD1 H 7.388 0.020 1 1108 114 116 PHE HD2 H 7.388 0.020 1 1109 114 116 PHE HE1 H 7.389 0.020 1 1110 114 116 PHE HE2 H 7.389 0.020 1 1111 114 116 PHE CA C 62.380 0.3 1 1112 114 116 PHE CB C 38.583 0.3 1 1113 114 116 PHE CD1 C 131.108 0.3 1 1114 114 116 PHE CE1 C 130.370 0.3 1 1115 114 116 PHE N N 112.128 0.3 1 1116 115 117 THR HA H 3.789 0.020 1 1117 115 117 THR HB H 4.210 0.020 1 1118 115 117 THR HG2 H 1.209 0.020 1 1119 115 117 THR CA C 65.689 0.3 1 1120 115 117 THR CB C 68.577 0.3 1 1121 115 117 THR CG2 C 22.292 0.3 1 1122 115 117 THR N N 114.082 0.3 1 1123 116 118 ILE HA H 3.758 0.020 1 1124 116 118 ILE HB H 1.496 0.020 1 1125 116 118 ILE HG12 H 0.950 0.020 2 1126 116 118 ILE HG13 H 1.658 0.020 2 1127 116 118 ILE HG2 H 0.687 0.020 1 1128 116 118 ILE HD1 H 0.607 0.020 1 1129 116 118 ILE CA C 64.654 0.3 1 1130 116 118 ILE CB C 38.977 0.3 1 1131 116 118 ILE CG1 C 28.434 0.3 1 1132 116 118 ILE CG2 C 17.845 0.3 1 1133 116 118 ILE CD1 C 14.140 0.3 1 1134 116 118 ILE N N 121.065 0.3 1 1135 117 119 LEU HA H 3.735 0.020 1 1136 117 119 LEU HB2 H 0.947 0.020 2 1137 117 119 LEU HB3 H 1.756 0.020 2 1138 117 119 LEU HG H 1.787 0.020 1 1139 117 119 LEU HD1 H 0.436 0.020 1 1140 117 119 LEU HD2 H 0.403 0.020 1 1141 117 119 LEU CA C 57.642 0.3 1 1142 117 119 LEU CB C 41.196 0.3 1 1143 117 119 LEU CG C 26.221 0.3 1 1144 117 119 LEU CD1 C 21.555 0.3 1 1145 117 119 LEU CD2 C 26.653 0.3 1 1146 117 119 LEU N N 116.126 0.3 1 1147 118 120 LYS HA H 4.260 0.020 1 1148 118 120 LYS HB2 H 1.783 0.020 2 1149 118 120 LYS HB3 H 1.876 0.020 2 1150 118 120 LYS HG2 H 1.342 0.020 2 1151 118 120 LYS HG3 H 1.431 0.020 2 1152 118 120 LYS HD2 H 1.619 0.020 1 1153 118 120 LYS HD3 H 1.619 0.020 1 1154 118 120 LYS HE2 H 2.907 0.020 1 1155 118 120 LYS HE3 H 2.907 0.020 1 1156 118 120 LYS CA C 59.008 0.3 1 1157 118 120 LYS CB C 32.072 0.3 1 1158 118 120 LYS CG C 24.683 0.3 1 1159 118 120 LYS CD C 29.140 0.3 1 1160 118 120 LYS CE C 41.805 0.3 1 1161 118 120 LYS N N 119.753 0.3 1 1162 119 121 ASP HA H 4.318 0.020 1 1163 119 121 ASP HB2 H 2.600 0.020 2 1164 119 121 ASP HB3 H 2.840 0.020 2 1165 119 121 ASP CA C 57.456 0.3 1 1166 119 121 ASP CB C 39.937 0.3 1 1167 119 121 ASP N N 123.294 0.3 1 1168 120 122 LEU HA H 4.339 0.020 1 1169 120 122 LEU HB2 H 1.477 0.020 2 1170 120 122 LEU HB3 H 1.670 0.020 2 1171 120 122 LEU HG H 1.872 0.020 1 1172 120 122 LEU HD1 H 0.906 0.020 1 1173 120 122 LEU HD2 H 0.534 0.020 1 1174 120 122 LEU CA C 54.787 0.3 1 1175 120 122 LEU CB C 42.807 0.3 1 1176 120 122 LEU CG C 26.325 0.3 1 1177 120 122 LEU CD1 C 21.956 0.3 1 1178 120 122 LEU CD2 C 26.181 0.3 1 1179 120 122 LEU N N 116.265 0.3 1 1180 121 123 GLY HA2 H 4.087 0.020 1 1181 121 123 GLY HA3 H 4.087 0.020 1 1182 121 123 GLY CA C 46.536 0.3 1 1183 121 123 GLY N N 107.679 0.3 1 1184 122 124 VAL HA H 4.736 0.020 1 1185 122 124 VAL HB H 2.687 0.020 1 1186 122 124 VAL HG1 H 0.723 0.020 1 1187 122 124 VAL HG2 H 0.808 0.020 1 1188 122 124 VAL CA C 59.678 0.3 1 1189 122 124 VAL CB C 33.131 0.3 1 1190 122 124 VAL CG1 C 19.350 0.3 1 1191 122 124 VAL CG2 C 21.544 0.3 1 1192 122 124 VAL N N 106.458 0.3 1 1193 123 125 GLU HA H 3.903 0.020 1 1194 123 125 GLU HB2 H 1.814 0.020 1 1195 123 125 GLU HB3 H 1.814 0.020 1 1196 123 125 GLU HG2 H 2.172 0.020 2 1197 123 125 GLU HG3 H 2.246 0.020 2 1198 123 125 GLU CA C 59.787 0.3 1 1199 123 125 GLU CB C 28.359 0.3 1 1200 123 125 GLU CG C 35.445 0.3 1 1201 123 125 GLU N N 123.570 0.3 1 1202 124 126 SER HA H 4.054 0.020 1 1203 124 126 SER HB2 H 3.597 0.020 1 1204 124 126 SER HB3 H 3.597 0.020 1 1205 124 126 SER CA C 59.945 0.3 1 1206 124 126 SER CB C 62.342 0.3 1 1207 124 126 SER N N 111.925 0.3 1 1208 125 127 TYR HA H 3.901 0.020 1 1209 125 127 TYR HB2 H 1.388 0.020 2 1210 125 127 TYR HB3 H 2.247 0.020 2 1211 125 127 TYR HD1 H 6.937 0.020 1 1212 125 127 TYR HD2 H 6.937 0.020 1 1213 125 127 TYR HE1 H 6.547 0.020 1 1214 125 127 TYR HE2 H 6.547 0.020 1 1215 125 127 TYR CA C 59.927 0.3 1 1216 125 127 TYR CB C 37.344 0.3 1 1217 125 127 TYR CD2 C 132.460 0.3 1 1218 125 127 TYR CE2 C 117.404 0.3 1 1219 125 127 TYR N N 116.799 0.3 1 1220 126 128 PHE HA H 4.437 0.020 1 1221 126 128 PHE HB2 H 2.672 0.020 1 1222 126 128 PHE HB3 H 2.672 0.020 1 1223 126 128 PHE HD1 H 6.913 0.020 1 1224 126 128 PHE HD2 H 6.913 0.020 1 1225 126 128 PHE HE1 H 6.501 0.020 1 1226 126 128 PHE HE2 H 6.501 0.020 1 1227 126 128 PHE CA C 56.868 0.3 1 1228 126 128 PHE CB C 40.104 0.3 1 1229 126 128 PHE CD1 C 131.378 0.3 1 1230 126 128 PHE CE1 C 129.685 0.3 1 1231 126 128 PHE N N 114.900 0.3 1 1232 127 129 THR HA H 3.890 0.020 1 1233 127 129 THR HB H 3.149 0.020 1 1234 127 129 THR HG2 H 1.153 0.020 1 1235 127 129 THR CA C 66.202 0.3 1 1236 127 129 THR CB C 69.043 0.3 1 1237 127 129 THR CG2 C 21.552 0.3 1 1238 127 129 THR N N 123.007 0.3 1 1239 128 130 GLU HA H 4.632 0.020 1 1240 128 130 GLU HB2 H 2.081 0.020 2 1241 128 130 GLU HB3 H 2.414 0.020 2 1242 128 130 GLU HG2 H 2.475 0.020 2 1243 128 130 GLU HG3 H 2.712 0.020 2 1244 128 130 GLU CA C 57.061 0.3 1 1245 128 130 GLU CB C 32.666 0.3 1 1246 128 130 GLU CG C 36.308 0.3 1 1247 128 130 GLU N N 116.250 0.3 1 1248 129 131 ILE HA H 4.182 0.020 1 1249 129 131 ILE HB H 1.872 0.020 1 1250 129 131 ILE HG12 H 0.475 0.020 2 1251 129 131 ILE HG13 H 1.498 0.020 2 1252 129 131 ILE HG2 H 0.056 0.020 1 1253 129 131 ILE HD1 H 0.808 0.020 1 1254 129 131 ILE CA C 61.410 0.3 1 1255 129 131 ILE CB C 39.038 0.3 1 1256 129 131 ILE CG1 C 27.193 0.3 1 1257 129 131 ILE CG2 C 15.148 0.3 1 1258 129 131 ILE CD1 C 13.914 0.3 1 1259 129 131 ILE N N 127.170 0.3 1 1260 130 132 LEU HA H 5.085 0.020 1 1261 130 132 LEU HB2 H 1.497 0.020 2 1262 130 132 LEU HB3 H 2.487 0.020 2 1263 130 132 LEU HG H 1.940 0.020 1 1264 130 132 LEU HD1 H 0.806 0.020 1 1265 130 132 LEU HD2 H 1.131 0.020 1 1266 130 132 LEU CA C 53.385 0.3 1 1267 130 132 LEU CB C 44.029 0.3 1 1268 130 132 LEU CG C 27.582 0.3 1 1269 130 132 LEU CD1 C 25.797 0.3 1 1270 130 132 LEU CD2 C 23.946 0.3 1 1271 130 132 LEU N N 128.197 0.3 1 1272 131 133 THR HA H 5.450 0.020 1 1273 131 133 THR HB H 5.064 0.020 1 1274 131 133 THR HG2 H 0.745 0.020 1 1275 131 133 THR CA C 59.538 0.3 1 1276 131 133 THR CB C 71.719 0.3 1 1277 131 133 THR CG2 C 21.587 0.3 1 1278 131 133 THR N N 113.134 0.3 1 1279 132 134 SER HA H 4.563 0.020 1 1280 132 134 SER HB2 H 3.884 0.020 2 1281 132 134 SER HB3 H 3.989 0.020 2 1282 132 134 SER CA C 60.584 0.3 1 1283 132 134 SER CB C 62.613 0.3 1 1284 132 134 SER N N 117.025 0.3 1 1285 133 135 GLN HA H 4.420 0.020 1 1286 133 135 GLN HB2 H 1.823 0.020 2 1287 133 135 GLN HB3 H 2.344 0.020 2 1288 133 135 GLN HG2 H 2.282 0.020 1 1289 133 135 GLN HG3 H 2.282 0.020 1 1290 133 135 GLN HE21 H 6.874 0.020 1 1291 133 135 GLN HE22 H 7.543 0.020 1 1292 133 135 GLN CA C 55.509 0.3 1 1293 133 135 GLN CB C 29.113 0.3 1 1294 133 135 GLN CG C 35.246 0.3 1 1295 133 135 GLN N N 119.901 0.3 1 1296 133 135 GLN NE2 N 112.862 0.3 1 1297 134 136 SER HA H 4.290 0.020 1 1298 134 136 SER HB2 H 4.169 0.020 1 1299 134 136 SER HB3 H 4.169 0.020 1 1300 134 136 SER CA C 60.999 0.3 1 1301 134 136 SER CB C 63.306 0.3 1 1302 134 136 SER N N 115.961 0.3 1 1303 135 137 GLY HA2 H 3.436 0.020 1 1304 135 137 GLY CA C 45.304 0.3 1 1305 135 137 GLY N N 106.469 0.3 1 1306 136 138 PHE HA H 4.720 0.020 1 1307 136 138 PHE HB2 H 2.737 0.020 2 1308 136 138 PHE HB3 H 2.897 0.020 2 1309 136 138 PHE HD1 H 6.898 0.020 1 1310 136 138 PHE HD2 H 6.898 0.020 1 1311 136 138 PHE HE1 H 6.825 0.020 1 1312 136 138 PHE HE2 H 6.825 0.020 1 1313 136 138 PHE HZ H 5.694 0.020 1 1314 136 138 PHE CA C 56.865 0.3 1 1315 136 138 PHE CB C 40.494 0.3 1 1316 136 138 PHE CD1 C 130.506 0.3 1 1317 136 138 PHE CE1 C 130.694 0.3 1 1318 136 138 PHE CZ C 129.770 0.3 1 1319 136 138 PHE N N 119.126 0.3 1 1320 137 139 VAL HA H 3.781 0.020 1 1321 137 139 VAL HB H 1.934 0.020 1 1322 137 139 VAL HG1 H 1.037 0.020 1 1323 137 139 VAL HG2 H 1.173 0.020 1 1324 137 139 VAL CA C 63.511 0.3 1 1325 137 139 VAL CB C 31.403 0.3 1 1326 137 139 VAL CG1 C 22.237 0.3 1 1327 137 139 VAL CG2 C 22.435 0.3 1 1328 137 139 VAL N N 123.508 0.3 1 1329 138 140 ARG HA H 4.088 0.020 1 1330 138 140 ARG HB2 H 1.534 0.020 2 1331 138 140 ARG HB3 H 1.876 0.020 2 1332 138 140 ARG HG2 H 1.165 0.020 2 1333 138 140 ARG HG3 H 1.545 0.020 2 1334 138 140 ARG HD2 H 2.916 0.020 1 1335 138 140 ARG HD3 H 2.916 0.020 1 1336 138 140 ARG HE H 7.146 0.020 1 1337 138 140 ARG CA C 56.883 0.3 1 1338 138 140 ARG CB C 31.299 0.3 1 1339 138 140 ARG CG C 27.623 0.3 1 1340 138 140 ARG CD C 43.178 0.3 1 1341 138 140 ARG N N 125.266 0.3 1 1342 138 140 ARG NE N 83.794 0.3 1 1343 140 142 PRO HA H 4.171 0.020 1 1344 140 142 PRO HB2 H 2.089 0.020 2 1345 140 142 PRO HB3 H 2.250 0.020 2 1346 140 142 PRO HG2 H 1.560 0.020 2 1347 140 142 PRO HG3 H 1.990 0.020 2 1348 140 142 PRO HD2 H 3.430 0.020 1 1349 140 142 PRO HD3 H 3.430 0.020 1 1350 140 142 PRO CA C 63.902 0.3 1 1351 140 142 PRO CB C 32.508 0.3 1 1352 140 142 PRO CG C 23.760 0.3 1 1353 140 142 PRO CD C 49.110 0.3 1 1354 141 143 SER HA H 4.647 0.020 1 1355 141 143 SER HB2 H 3.732 0.020 2 1356 141 143 SER HB3 H 3.937 0.020 2 1357 141 143 SER CA C 57.046 0.3 1 1358 141 143 SER CB C 63.590 0.3 1 1359 141 143 SER N N 122.628 0.3 1 1360 142 144 PRO HA H 4.530 0.020 1 1361 142 144 PRO HB2 H 1.579 0.020 2 1362 142 144 PRO HB3 H 1.950 0.020 2 1363 142 144 PRO HG2 H 1.763 0.020 1 1364 142 144 PRO HG3 H 1.763 0.020 1 1365 142 144 PRO HD2 H 3.602 0.020 2 1366 142 144 PRO HD3 H 3.895 0.020 2 1367 142 144 PRO CA C 63.582 0.3 1 1368 142 144 PRO CB C 33.353 0.3 1 1369 142 144 PRO CG C 26.250 0.3 1 1370 142 144 PRO CD C 50.980 0.3 1 1371 143 145 GLU HA H 3.756 0.020 1 1372 143 145 GLU HB2 H 2.072 0.020 1 1373 143 145 GLU HB3 H 2.072 0.020 1 1374 143 145 GLU HG2 H 2.332 0.020 2 1375 143 145 GLU HG3 H 2.383 0.020 2 1376 143 145 GLU CA C 61.767 0.3 1 1377 143 145 GLU CB C 30.363 0.3 1 1378 143 145 GLU CG C 37.186 0.3 1 1379 143 145 GLU N N 122.858 0.3 1 1380 144 146 ALA HA H 2.565 0.020 1 1381 144 146 ALA HB H 0.157 0.020 1 1382 144 146 ALA CA C 54.814 0.3 1 1383 144 146 ALA CB C 18.091 0.3 1 1384 144 146 ALA N N 119.464 0.3 1 1385 145 147 ALA HA H 3.714 0.020 1 1386 145 147 ALA HB H 1.070 0.020 1 1387 145 147 ALA CA C 55.010 0.3 1 1388 145 147 ALA CB C 17.786 0.3 1 1389 145 147 ALA N N 115.442 0.3 1 1390 146 148 THR HA H 3.557 0.020 1 1391 146 148 THR HB H 3.977 0.020 1 1392 146 148 THR HG2 H 1.115 0.020 1 1393 146 148 THR CA C 66.495 0.3 1 1394 146 148 THR CB C 68.300 0.3 1 1395 146 148 THR CG2 C 22.029 0.3 1 1396 146 148 THR N N 114.397 0.3 1 1397 147 149 TYR HA H 4.234 0.020 1 1398 147 149 TYR HB2 H 2.601 0.020 2 1399 147 149 TYR HB3 H 3.032 0.020 2 1400 147 149 TYR HD1 H 6.961 0.020 1 1401 147 149 TYR HD2 H 6.961 0.020 1 1402 147 149 TYR HE1 H 6.811 0.020 1 1403 147 149 TYR HE2 H 6.811 0.020 1 1404 147 149 TYR CA C 60.170 0.3 1 1405 147 149 TYR CB C 37.540 0.3 1 1406 147 149 TYR CD1 C 133.952 0.3 1 1407 147 149 TYR CE1 C 117.557 0.3 1 1408 147 149 TYR N N 119.928 0.3 1 1409 148 150 LEU HA H 3.527 0.020 1 1410 148 150 LEU HB2 H 0.509 0.020 2 1411 148 150 LEU HB3 H 1.628 0.020 2 1412 148 150 LEU HG H 1.826 0.020 1 1413 148 150 LEU HD1 H 0.376 0.020 1 1414 148 150 LEU HD2 H 0.516 0.020 1 1415 148 150 LEU CA C 57.700 0.3 1 1416 148 150 LEU CB C 42.129 0.3 1 1417 148 150 LEU CG C 25.980 0.3 1 1418 148 150 LEU CD1 C 25.078 0.3 1 1419 148 150 LEU CD2 C 22.875 0.3 1 1420 148 150 LEU N N 120.501 0.3 1 1421 149 151 LEU HA H 3.523 0.020 1 1422 149 151 LEU HB2 H 1.353 0.020 2 1423 149 151 LEU HB3 H 1.729 0.020 2 1424 149 151 LEU HG H 1.600 0.020 1 1425 149 151 LEU HD1 H 0.559 0.020 1 1426 149 151 LEU HD2 H 0.587 0.020 1 1427 149 151 LEU CA C 58.605 0.3 1 1428 149 151 LEU CB C 41.636 0.3 1 1429 149 151 LEU CG C 27.182 0.3 1 1430 149 151 LEU CD1 C 24.058 0.3 1 1431 149 151 LEU CD2 C 25.054 0.3 1 1432 149 151 LEU N N 117.961 0.3 1 1433 150 152 ASP HA H 4.273 0.020 1 1434 150 152 ASP HB2 H 2.453 0.020 2 1435 150 152 ASP HB3 H 2.639 0.020 2 1436 150 152 ASP CA C 56.308 0.3 1 1437 150 152 ASP CB C 41.280 0.3 1 1438 150 152 ASP N N 115.806 0.3 1 1439 151 153 LYS HA H 3.548 0.020 1 1440 151 153 LYS HB2 H 0.991 0.020 2 1441 151 153 LYS HB3 H 1.195 0.020 2 1442 151 153 LYS HG2 H -0.366 0.020 2 1443 151 153 LYS HG3 H 0.718 0.020 2 1444 151 153 LYS HD2 H 1.106 0.020 2 1445 151 153 LYS HD3 H 1.261 0.020 2 1446 151 153 LYS HE2 H 2.722 0.020 2 1447 151 153 LYS HE3 H 2.563 0.020 2 1448 151 153 LYS CA C 59.473 0.3 1 1449 151 153 LYS CB C 32.847 0.3 1 1450 151 153 LYS CG C 24.445 0.3 1 1451 151 153 LYS CD C 30.796 0.3 1 1452 151 153 LYS CE C 42.310 0.3 1 1453 151 153 LYS N N 120.627 0.3 1 1454 152 154 TYR HA H 4.338 0.020 1 1455 152 154 TYR HB2 H 2.423 0.020 2 1456 152 154 TYR HB3 H 3.294 0.020 2 1457 152 154 TYR CA C 58.205 0.3 1 1458 152 154 TYR CB C 37.017 0.3 1 1459 152 154 TYR N N 111.882 0.3 1 1460 153 155 GLN HA H 3.935 0.020 1 1461 153 155 GLN HB2 H 2.018 0.020 2 1462 153 155 GLN HB3 H 2.077 0.020 2 1463 153 155 GLN HG2 H 2.135 0.020 2 1464 153 155 GLN HG3 H 2.202 0.020 2 1465 153 155 GLN HE21 H 7.619 0.020 1 1466 153 155 GLN HE22 H 6.688 0.020 1 1467 153 155 GLN CA C 56.255 0.3 1 1468 153 155 GLN CB C 25.780 0.3 1 1469 153 155 GLN CG C 34.217 0.3 1 1470 153 155 GLN N N 117.831 0.3 1 1471 153 155 GLN NE2 N 113.706 0.3 1 1472 154 156 LEU HA H 4.148 0.020 1 1473 154 156 LEU HB2 H 1.503 0.020 2 1474 154 156 LEU HB3 H 1.558 0.020 2 1475 154 156 LEU HG H 1.450 0.020 1 1476 154 156 LEU HD1 H 0.748 0.020 1 1477 154 156 LEU HD2 H 0.389 0.020 1 1478 154 156 LEU CA C 53.615 0.3 1 1479 154 156 LEU CB C 41.724 0.3 1 1480 154 156 LEU CG C 26.512 0.3 1 1481 154 156 LEU CD1 C 21.774 0.3 1 1482 154 156 LEU CD2 C 24.198 0.3 1 1483 154 156 LEU N N 117.373 0.3 1 1484 155 157 ASN HA H 4.881 0.020 1 1485 155 157 ASN HB2 H 2.751 0.020 2 1486 155 157 ASN HB3 H 2.896 0.020 2 1487 155 157 ASN HD21 H 7.592 0.020 1 1488 155 157 ASN HD22 H 7.130 0.020 1 1489 155 157 ASN CA C 51.682 0.3 1 1490 155 157 ASN CB C 40.198 0.3 1 1491 155 157 ASN N N 118.564 0.3 1 1492 155 157 ASN ND2 N 112.934 0.3 1 1493 156 158 SER HA H 3.732 0.020 1 1494 156 158 SER HB2 H 3.863 0.020 2 1495 156 158 SER HB3 H 3.947 0.020 2 1496 156 158 SER CA C 62.952 0.3 1 1497 156 158 SER CB C 62.077 0.3 1 1498 156 158 SER N N 127.297 0.3 1 1499 157 159 ASP HA H 4.421 0.020 1 1500 157 159 ASP HB2 H 2.461 0.020 2 1501 157 159 ASP HB3 H 2.560 0.020 2 1502 157 159 ASP CA C 55.867 0.3 1 1503 157 159 ASP CB C 40.399 0.3 1 1504 157 159 ASP N N 117.391 0.3 1 1505 158 160 ASN HA H 5.069 0.020 1 1506 158 160 ASN HB2 H 2.602 0.020 2 1507 158 160 ASN HB3 H 3.466 0.020 2 1508 158 160 ASN HD21 H 7.308 0.020 1 1509 158 160 ASN HD22 H 6.877 0.020 1 1510 158 160 ASN CA C 51.617 0.3 1 1511 158 160 ASN CB C 40.756 0.3 1 1512 158 160 ASN N N 114.852 0.3 1 1513 158 160 ASN ND2 N 112.961 0.3 1 1514 159 161 THR HA H 5.324 0.020 1 1515 159 161 THR HB H 3.659 0.020 1 1516 159 161 THR HG2 H 0.974 0.020 1 1517 159 161 THR CA C 62.577 0.3 1 1518 159 161 THR CB C 69.772 0.3 1 1519 159 161 THR CG2 C 21.068 0.3 1 1520 159 161 THR N N 117.228 0.3 1 1521 160 162 TYR HA H 4.612 0.020 1 1522 160 162 TYR HB2 H 2.144 0.020 2 1523 160 162 TYR HB3 H 2.824 0.020 2 1524 160 162 TYR HD1 H 6.993 0.020 1 1525 160 162 TYR HD2 H 6.993 0.020 1 1526 160 162 TYR HE1 H 6.449 0.020 1 1527 160 162 TYR HE2 H 6.449 0.020 1 1528 160 162 TYR CA C 55.231 0.3 1 1529 160 162 TYR CB C 40.746 0.3 1 1530 160 162 TYR CD1 C 133.647 0.3 1 1531 160 162 TYR CE1 C 117.119 0.3 1 1532 160 162 TYR N N 124.030 0.3 1 1533 161 163 TYR HA H 5.806 0.020 1 1534 161 163 TYR HB2 H 2.833 0.020 2 1535 161 163 TYR HB3 H 3.014 0.020 2 1536 161 163 TYR HD1 H 7.161 0.020 1 1537 161 163 TYR HD2 H 7.161 0.020 1 1538 161 163 TYR HE1 H 6.756 0.020 1 1539 161 163 TYR HE2 H 6.756 0.020 1 1540 161 163 TYR CA C 56.462 0.3 1 1541 161 163 TYR CB C 40.141 0.3 1 1542 161 163 TYR CD1 C 133.651 0.3 1 1543 161 163 TYR CE1 C 117.113 0.3 1 1544 161 163 TYR N N 124.249 0.3 1 1545 162 164 ILE HA H 4.972 0.020 1 1546 162 164 ILE HB H 0.940 0.020 1 1547 162 164 ILE HG12 H -0.168 0.020 2 1548 162 164 ILE HG13 H 0.473 0.020 2 1549 162 164 ILE HG2 H 0.226 0.020 1 1550 162 164 ILE HD1 H -1.468 0.020 1 1551 162 164 ILE CA C 60.034 0.3 1 1552 162 164 ILE CB C 37.221 0.3 1 1553 162 164 ILE CG1 C 27.151 0.3 1 1554 162 164 ILE CG2 C 17.272 0.3 1 1555 162 164 ILE CD1 C 10.746 0.3 1 1556 162 164 ILE N N 131.645 0.3 1 1557 163 165 GLY HA2 H 3.764 0.020 1 1558 163 165 GLY CA C 45.523 0.3 1 1559 163 165 GLY N N 109.681 0.3 1 1560 164 166 ASP HA H 5.064 0.020 1 1561 164 166 ASP HB2 H 2.576 0.020 2 1562 164 166 ASP HB3 H 2.864 0.020 2 1563 164 166 ASP CA C 53.345 0.3 1 1564 164 166 ASP CB C 41.876 0.3 1 1565 164 166 ASP N N 113.822 0.3 1 1566 165 167 ARG HA H 5.091 0.020 1 1567 165 167 ARG HB2 H 1.820 0.020 2 1568 165 167 ARG HB3 H 1.999 0.020 2 1569 165 167 ARG HG2 H 1.703 0.020 1 1570 165 167 ARG HG3 H 1.703 0.020 1 1571 165 167 ARG HD2 H 3.127 0.020 1 1572 165 167 ARG HD3 H 3.127 0.020 1 1573 165 167 ARG HE H 7.628 0.020 1 1574 165 167 ARG CA C 54.305 0.3 1 1575 165 167 ARG CB C 34.387 0.3 1 1576 165 167 ARG CG C 26.003 0.3 1 1577 165 167 ARG CD C 43.546 0.3 1 1578 165 167 ARG N N 119.576 0.3 1 1579 165 167 ARG NE N 85.496 0.3 1 1580 166 168 THR HA H 3.715 0.020 1 1581 166 168 THR HB H 4.090 0.020 1 1582 166 168 THR HG2 H 1.204 0.020 1 1583 166 168 THR CA C 66.995 0.3 1 1584 166 168 THR CB C 67.943 0.3 1 1585 166 168 THR CG2 C 22.558 0.3 1 1586 166 168 THR N N 120.316 0.3 1 1587 167 169 LEU HA H 4.106 0.020 1 1588 167 169 LEU HB2 H 1.420 0.020 2 1589 167 169 LEU HB3 H 1.566 0.020 2 1590 167 169 LEU HG H 1.420 0.020 1 1591 167 169 LEU HD1 H 0.801 0.020 1 1592 167 169 LEU HD2 H 0.758 0.020 1 1593 167 169 LEU CA C 57.541 0.3 1 1594 167 169 LEU CB C 42.120 0.3 1 1595 167 169 LEU CG C 26.850 0.3 1 1596 167 169 LEU CD1 C 25.856 0.3 1 1597 167 169 LEU CD2 C 24.588 0.3 1 1598 167 169 LEU N N 120.408 0.3 1 1599 168 170 ASP HA H 4.431 0.020 1 1600 168 170 ASP HB2 H 2.907 0.020 2 1601 168 170 ASP HB3 H 3.069 0.020 2 1602 168 170 ASP CA C 57.240 0.3 1 1603 168 170 ASP CB C 40.862 0.3 1 1604 168 170 ASP N N 118.800 0.3 1 1605 169 171 VAL HA H 3.620 0.020 1 1606 169 171 VAL HB H 2.161 0.020 1 1607 169 171 VAL HG1 H 0.845 0.020 1 1608 169 171 VAL HG2 H 0.957 0.020 1 1609 169 171 VAL CA C 65.980 0.3 1 1610 169 171 VAL CB C 31.171 0.3 1 1611 169 171 VAL CG1 C 21.408 0.3 1 1612 169 171 VAL CG2 C 22.152 0.3 1 1613 169 171 VAL N N 119.820 0.3 1 1614 170 172 GLU HA H 3.749 0.020 1 1615 170 172 GLU HB2 H 1.887 0.020 2 1616 170 172 GLU HB3 H 1.972 0.020 2 1617 170 172 GLU HG2 H 2.059 0.020 2 1618 170 172 GLU HG3 H 2.270 0.020 2 1619 170 172 GLU CA C 59.353 0.3 1 1620 170 172 GLU CB C 29.208 0.3 1 1621 170 172 GLU CG C 36.245 0.3 1 1622 170 172 GLU N N 118.557 0.3 1 1623 171 173 PHE HA H 4.400 0.020 1 1624 171 173 PHE HB2 H 2.876 0.020 2 1625 171 173 PHE HB3 H 3.111 0.020 2 1626 171 173 PHE HD1 H 6.406 0.020 1 1627 171 173 PHE HD2 H 6.406 0.020 1 1628 171 173 PHE HE1 H 6.991 0.020 1 1629 171 173 PHE HE2 H 6.991 0.020 1 1630 171 173 PHE HZ H 6.665 0.020 1 1631 171 173 PHE CA C 59.306 0.3 1 1632 171 173 PHE CB C 39.393 0.3 1 1633 171 173 PHE CD2 C 131.823 0.3 1 1634 171 173 PHE CE2 C 130.665 0.3 1 1635 171 173 PHE CZ C 129.598 0.3 1 1636 171 173 PHE N N 119.706 0.3 1 1637 172 174 ALA HA H 3.343 0.020 1 1638 172 174 ALA HB H 1.492 0.020 1 1639 172 174 ALA CA C 54.638 0.3 1 1640 172 174 ALA CB C 18.505 0.3 1 1641 172 174 ALA N N 123.752 0.3 1 1642 173 175 GLN HA H 3.263 0.020 1 1643 173 175 GLN HB2 H 0.587 0.020 2 1644 173 175 GLN HB3 H 1.559 0.020 2 1645 173 175 GLN HG2 H 1.652 0.020 2 1646 173 175 GLN HG3 H 1.756 0.020 2 1647 173 175 GLN HE21 H 6.556 0.020 1 1648 173 175 GLN HE22 H 7.292 0.020 1 1649 173 175 GLN CA C 58.850 0.3 1 1650 173 175 GLN CB C 27.690 0.3 1 1651 173 175 GLN CG C 33.151 0.3 1 1652 173 175 GLN N N 118.543 0.3 1 1653 173 175 GLN NE2 N 110.091 0.3 1 1654 174 176 ASN HA H 4.259 0.020 1 1655 174 176 ASN HB2 H 2.581 0.020 2 1656 174 176 ASN HB3 H 2.938 0.020 2 1657 174 176 ASN HD21 H 7.219 0.020 1 1658 174 176 ASN HD22 H 7.183 0.020 1 1659 174 176 ASN CA C 54.632 0.3 1 1660 174 176 ASN CB C 37.060 0.3 1 1661 174 176 ASN N N 118.639 0.3 1 1662 174 176 ASN ND2 N 109.759 0.3 1 1663 175 177 SER HA H 4.065 0.020 1 1664 175 177 SER HB2 H 3.194 0.020 2 1665 175 177 SER HB3 H 3.352 0.020 2 1666 175 177 SER CA C 58.692 0.3 1 1667 175 177 SER CB C 63.575 0.3 1 1668 175 177 SER N N 113.373 0.3 1 1669 176 178 GLY HA2 H 3.765 0.020 1 1670 176 178 GLY CA C 45.692 0.3 1 1671 176 178 GLY N N 109.599 0.3 1 1672 177 179 ILE HA H 5.041 0.020 1 1673 177 179 ILE HB H 2.065 0.020 1 1674 177 179 ILE HG12 H 1.429 0.020 1 1675 177 179 ILE HG13 H 1.429 0.020 1 1676 177 179 ILE HG2 H 0.589 0.020 1 1677 177 179 ILE HD1 H 0.521 0.020 1 1678 177 179 ILE CA C 58.893 0.3 1 1679 177 179 ILE CB C 38.635 0.3 1 1680 177 179 ILE CG1 C 24.513 0.3 1 1681 177 179 ILE CG2 C 17.151 0.3 1 1682 177 179 ILE CD1 C 13.854 0.3 1 1683 177 179 ILE N N 110.604 0.3 1 1684 178 180 GLN HA H 4.319 0.020 1 1685 178 180 GLN HB2 H 1.928 0.020 1 1686 178 180 GLN HB3 H 1.928 0.020 1 1687 178 180 GLN HG2 H 1.721 0.020 2 1688 178 180 GLN HG3 H 2.046 0.020 2 1689 178 180 GLN HE21 H 7.627 0.020 1 1690 178 180 GLN HE22 H 6.853 0.020 1 1691 178 180 GLN CA C 54.267 0.3 1 1692 178 180 GLN CB C 31.266 0.3 1 1693 178 180 GLN CG C 33.464 0.3 1 1694 178 180 GLN N N 117.813 0.3 1 1695 178 180 GLN NE2 N 116.252 0.3 1 1696 179 181 SER HA H 5.601 0.020 1 1697 179 181 SER HB2 H 3.635 0.020 2 1698 179 181 SER HB3 H 3.797 0.020 2 1699 179 181 SER CA C 55.517 0.3 1 1700 179 181 SER CB C 64.547 0.3 1 1701 179 181 SER N N 113.682 0.3 1 1702 180 182 ILE HA H 4.904 0.020 1 1703 180 182 ILE HB H 1.365 0.020 1 1704 180 182 ILE HG12 H 0.665 0.020 2 1705 180 182 ILE HG13 H 1.535 0.020 2 1706 180 182 ILE HG2 H 0.508 0.020 1 1707 180 182 ILE HD1 H 0.115 0.020 1 1708 180 182 ILE CA C 60.730 0.3 1 1709 180 182 ILE CB C 39.280 0.3 1 1710 180 182 ILE CG1 C 28.111 0.3 1 1711 180 182 ILE CG2 C 18.452 0.3 1 1712 180 182 ILE CD1 C 12.364 0.3 1 1713 180 182 ILE N N 130.824 0.3 1 1714 181 183 ASN HA H 5.671 0.020 1 1715 181 183 ASN HB2 H 2.319 0.020 2 1716 181 183 ASN HB3 H 2.674 0.020 2 1717 181 183 ASN HD21 H 8.078 0.020 1 1718 181 183 ASN HD22 H 6.321 0.020 1 1719 181 183 ASN CA C 51.075 0.3 1 1720 181 183 ASN CB C 43.432 0.3 1 1721 181 183 ASN N N 125.980 0.3 1 1722 181 183 ASN ND2 N 113.200 0.3 1 1723 182 184 PHE HA H 5.109 0.020 1 1724 182 184 PHE HB2 H 2.722 0.020 2 1725 182 184 PHE HB3 H 3.374 0.020 2 1726 182 184 PHE HD1 H 7.237 0.020 1 1727 182 184 PHE HD2 H 7.237 0.020 1 1728 182 184 PHE HE1 H 7.033 0.020 1 1729 182 184 PHE HE2 H 7.033 0.020 1 1730 182 184 PHE HZ H 7.149 0.020 1 1731 182 184 PHE CA C 59.022 0.3 1 1732 182 184 PHE CB C 40.331 0.3 1 1733 182 184 PHE CD2 C 131.955 0.3 1 1734 182 184 PHE CE2 C 130.494 0.3 1 1735 182 184 PHE CZ C 129.346 0.3 1 1736 182 184 PHE N N 123.613 0.3 1 1737 183 185 LEU HA H 4.400 0.020 1 1738 183 185 LEU HB2 H 1.329 0.020 2 1739 183 185 LEU HB3 H 1.359 0.020 2 1740 183 185 LEU HG H 1.715 0.020 1 1741 183 185 LEU HD1 H 0.805 0.020 1 1742 183 185 LEU HD2 H 0.823 0.020 1 1743 183 185 LEU CA C 53.821 0.3 1 1744 183 185 LEU CB C 42.719 0.3 1 1745 183 185 LEU CG C 26.315 0.3 1 1746 183 185 LEU CD1 C 26.554 0.3 1 1747 183 185 LEU CD2 C 22.639 0.3 1 1748 183 185 LEU N N 122.398 0.3 1 1749 184 186 GLU HA H 3.940 0.020 1 1750 184 186 GLU HB2 H 1.743 0.020 2 1751 184 186 GLU HB3 H 1.839 0.020 2 1752 184 186 GLU HG2 H 2.125 0.020 1 1753 184 186 GLU HG3 H 2.125 0.020 1 1754 184 186 GLU CA C 55.430 0.3 1 1755 184 186 GLU CB C 30.780 0.3 1 1756 184 186 GLU CG C 36.012 0.3 1 1757 184 186 GLU N N 116.574 0.3 1 1758 185 187 SER HA H 4.601 0.020 1 1759 185 187 SER HB2 H 3.071 0.020 2 1760 185 187 SER HB3 H 3.734 0.020 2 1761 185 187 SER CA C 56.629 0.3 1 1762 185 187 SER CB C 64.665 0.3 1 1763 185 187 SER N N 114.820 0.3 1 1764 186 188 THR HA H 4.152 0.020 1 1765 186 188 THR HB H 4.344 0.020 1 1766 186 188 THR HG2 H 1.187 0.020 1 1767 186 188 THR CA C 62.539 0.3 1 1768 186 188 THR CB C 68.705 0.3 1 1769 186 188 THR CG2 C 21.769 0.3 1 1770 186 188 THR N N 115.455 0.3 1 1771 187 189 TYR HA H 4.615 0.020 1 1772 187 189 TYR HB2 H 2.496 0.020 2 1773 187 189 TYR HB3 H 2.986 0.020 2 1774 187 189 TYR HD1 H 7.053 0.020 1 1775 187 189 TYR HD2 H 7.053 0.020 1 1776 187 189 TYR HE1 H 6.754 0.020 1 1777 187 189 TYR HE2 H 6.754 0.020 1 1778 187 189 TYR CA C 56.240 0.3 1 1779 187 189 TYR CB C 37.176 0.3 1 1780 187 189 TYR CD2 C 132.785 0.3 1 1781 187 189 TYR CE2 C 117.715 0.3 1 1782 187 189 TYR N N 123.322 0.3 1 1783 188 190 GLU HA H 3.800 0.020 1 1784 188 190 GLU HB2 H 1.803 0.020 2 1785 188 190 GLU HB3 H 1.892 0.020 2 1786 188 190 GLU HG2 H 2.120 0.020 2 1787 188 190 GLU HG3 H 2.207 0.020 2 1788 188 190 GLU CA C 58.389 0.3 1 1789 188 190 GLU CB C 28.479 0.3 1 1790 188 190 GLU CG C 35.786 0.3 1 1791 188 190 GLU N N 133.693 0.3 1 1792 189 191 GLY HA2 H 2.483 0.020 1 1793 189 191 GLY CA C 45.383 0.3 1 1794 190 192 ASN HA H 5.371 0.020 1 1795 190 192 ASN HB2 H 2.164 0.020 2 1796 190 192 ASN HB3 H 2.761 0.020 2 1797 190 192 ASN HD21 H 6.488 0.020 1 1798 190 192 ASN HD22 H 7.948 0.020 1 1799 190 192 ASN CA C 52.942 0.3 1 1800 190 192 ASN CB C 42.010 0.3 1 1801 190 192 ASN N N 117.760 0.3 1 1802 190 192 ASN ND2 N 113.550 0.3 1 1803 191 193 HIS HA H 4.436 0.020 1 1804 191 193 HIS HB2 H 2.927 0.020 2 1805 191 193 HIS HB3 H 3.137 0.020 2 1806 191 193 HIS HD2 H 7.526 0.020 1 1807 191 193 HIS HE1 H 8.578 0.020 1 1808 191 193 HIS CA C 54.051 0.3 1 1809 191 193 HIS CB C 28.771 0.3 1 1810 191 193 HIS CD2 C 121.053 0.3 1 1811 191 193 HIS CE1 C 137.135 0.3 1 1812 191 193 HIS N N 125.920 0.3 1 1813 192 194 ARG HA H 5.029 0.020 1 1814 192 194 ARG HB2 H 1.348 0.020 2 1815 192 194 ARG HB3 H 1.532 0.020 2 1816 192 194 ARG HG2 H 1.342 0.020 1 1817 192 194 ARG HG3 H 1.342 0.020 1 1818 192 194 ARG HD2 H 2.776 0.020 1 1819 192 194 ARG HD3 H 2.776 0.020 1 1820 192 194 ARG HE H 6.734 0.020 1 1821 192 194 ARG CA C 55.781 0.3 1 1822 192 194 ARG CB C 30.357 0.3 1 1823 192 194 ARG CG C 27.442 0.3 1 1824 192 194 ARG CD C 43.811 0.3 1 1825 192 194 ARG N N 125.626 0.3 1 1826 192 194 ARG NE N 85.549 0.3 1 1827 193 195 ILE HA H 4.508 0.020 1 1828 193 195 ILE HB H 1.780 0.020 1 1829 193 195 ILE HG12 H 0.089 0.020 2 1830 193 195 ILE HG13 H 0.236 0.020 2 1831 193 195 ILE HG2 H 0.492 0.020 1 1832 193 195 ILE HD1 H -0.060 0.020 1 1833 193 195 ILE CA C 59.286 0.3 1 1834 193 195 ILE CB C 41.468 0.3 1 1835 193 195 ILE CG1 C 23.624 0.3 1 1836 193 195 ILE CG2 C 18.581 0.3 1 1837 193 195 ILE CD1 C 13.291 0.3 1 1838 193 195 ILE N N 120.996 0.3 1 1839 194 196 GLN HA H 4.619 0.020 1 1840 194 196 GLN HB2 H 1.989 0.020 2 1841 194 196 GLN HB3 H 2.140 0.020 2 1842 194 196 GLN HG2 H 2.273 0.020 1 1843 194 196 GLN HG3 H 2.273 0.020 1 1844 194 196 GLN HE21 H 7.541 0.020 1 1845 194 196 GLN HE22 H 6.705 0.020 1 1846 194 196 GLN CA C 55.862 0.3 1 1847 194 196 GLN CB C 30.379 0.3 1 1848 194 196 GLN CG C 34.321 0.3 1 1849 194 196 GLN N N 116.823 0.3 1 1850 194 196 GLN NE2 N 111.954 0.3 1 1851 195 197 ALA HA H 4.649 0.020 1 1852 195 197 ALA HB H 1.394 0.020 1 1853 195 197 ALA CA C 50.744 0.3 1 1854 195 197 ALA CB C 21.711 0.3 1 1855 195 197 ALA N N 121.893 0.3 1 1856 196 198 LEU HA H 3.931 0.020 1 1857 196 198 LEU HB2 H 1.306 0.020 2 1858 196 198 LEU HB3 H 1.864 0.020 2 1859 196 198 LEU HG H 2.061 0.020 1 1860 196 198 LEU HD1 H 0.959 0.020 1 1861 196 198 LEU HD2 H 0.975 0.020 1 1862 196 198 LEU CA C 58.151 0.3 1 1863 196 198 LEU CB C 40.945 0.3 1 1864 196 198 LEU CG C 27.136 0.3 1 1865 196 198 LEU CD1 C 22.139 0.3 1 1866 196 198 LEU CD2 C 24.911 0.3 1 1867 196 198 LEU N N 122.418 0.3 1 1868 197 199 ALA HA H 3.933 0.020 1 1869 197 199 ALA HB H 1.246 0.020 1 1870 197 199 ALA CA C 53.997 0.3 1 1871 197 199 ALA CB C 18.263 0.3 1 1872 197 199 ALA N N 117.953 0.3 1 1873 198 200 ASP HA H 4.177 0.020 1 1874 198 200 ASP HB2 H 2.731 0.020 2 1875 198 200 ASP HB3 H 2.794 0.020 2 1876 198 200 ASP CA C 55.874 0.3 1 1877 198 200 ASP CB C 41.095 0.3 1 1878 198 200 ASP N N 115.994 0.3 1 1879 199 201 ILE HA H 3.184 0.020 1 1880 199 201 ILE HB H 1.776 0.020 1 1881 199 201 ILE HG12 H 0.558 0.020 2 1882 199 201 ILE HG13 H 1.767 0.020 2 1883 199 201 ILE HG2 H 0.678 0.020 1 1884 199 201 ILE HD1 H 0.768 0.020 1 1885 199 201 ILE CA C 66.489 0.3 1 1886 199 201 ILE CB C 37.038 0.3 1 1887 199 201 ILE CG1 C 32.062 0.3 1 1888 199 201 ILE CG2 C 17.151 0.3 1 1889 199 201 ILE CD1 C 14.425 0.3 1 1890 199 201 ILE N N 120.350 0.3 1 1891 200 202 SER HA H 2.845 0.020 1 1892 200 202 SER HB2 H 2.119 0.020 2 1893 200 202 SER HB3 H 2.612 0.020 2 1894 200 202 SER CA C 60.718 0.3 1 1895 200 202 SER CB C 60.653 0.3 1 1896 200 202 SER N N 111.475 0.3 1 1897 201 203 ARG HA H 3.981 0.020 1 1898 201 203 ARG HB2 H 1.713 0.020 2 1899 201 203 ARG HB3 H 1.788 0.020 2 1900 201 203 ARG HG2 H 1.496 0.020 2 1901 201 203 ARG HG3 H 1.549 0.020 2 1902 201 203 ARG HD2 H 3.072 0.020 1 1903 201 203 ARG HD3 H 3.072 0.020 1 1904 201 203 ARG HE H 7.153 0.020 1 1905 201 203 ARG CA C 57.621 0.3 1 1906 201 203 ARG CB C 29.644 0.3 1 1907 201 203 ARG CG C 27.395 0.3 1 1908 201 203 ARG CD C 43.096 0.3 1 1909 201 203 ARG N N 119.614 0.3 1 1910 201 203 ARG NE N 84.304 0.3 1 1911 202 204 ILE HA H 3.388 0.020 1 1912 202 204 ILE HB H 1.438 0.020 1 1913 202 204 ILE HG12 H 0.698 0.020 2 1914 202 204 ILE HG13 H 1.372 0.020 2 1915 202 204 ILE HG2 H -0.256 0.020 1 1916 202 204 ILE HD1 H 0.387 0.020 1 1917 202 204 ILE CA C 64.107 0.3 1 1918 202 204 ILE CB C 37.519 0.3 1 1919 202 204 ILE CG1 C 28.218 0.3 1 1920 202 204 ILE CG2 C 15.147 0.3 1 1921 202 204 ILE CD1 C 13.829 0.3 1 1922 202 204 ILE N N 119.347 0.3 1 1923 203 205 PHE HA H 4.260 0.020 1 1924 203 205 PHE HB2 H 2.860 0.020 2 1925 203 205 PHE HB3 H 3.529 0.020 2 1926 203 205 PHE HD1 H 7.358 0.020 1 1927 203 205 PHE HD2 H 7.358 0.020 1 1928 203 205 PHE HE1 H 6.933 0.020 1 1929 203 205 PHE HE2 H 6.933 0.020 1 1930 203 205 PHE HZ H 5.776 0.020 1 1931 203 205 PHE CA C 58.686 0.3 1 1932 203 205 PHE CB C 40.070 0.3 1 1933 203 205 PHE CD2 C 132.149 0.3 1 1934 203 205 PHE CE2 C 131.016 0.3 1 1935 203 205 PHE CZ C 128.906 0.3 1 1936 203 205 PHE N N 115.479 0.3 1 1937 204 206 GLU HA H 4.385 0.020 1 1938 204 206 GLU HB2 H 1.950 0.020 2 1939 204 206 GLU HB3 H 2.020 0.020 2 1940 204 206 GLU HG2 H 2.281 0.020 2 1941 204 206 GLU HG3 H 2.345 0.020 2 1942 204 206 GLU CA C 56.706 0.3 1 1943 204 206 GLU CB C 30.363 0.3 1 1944 204 206 GLU CG C 36.125 0.3 1 1945 204 206 GLU N N 120.316 0.3 1 1946 205 207 THR HA H 4.308 0.020 1 1947 205 207 THR HB H 4.192 0.020 1 1948 205 207 THR HG2 H 1.141 0.020 1 1949 205 207 THR CA C 61.673 0.3 1 1950 205 207 THR CB C 69.606 0.3 1 1951 205 207 THR CG2 C 21.391 0.3 1 1952 205 207 THR N N 114.855 0.3 1 1953 206 208 LYS HA H 4.107 0.020 1 1954 206 208 LYS HB2 H 1.654 0.020 2 1955 206 208 LYS HB3 H 1.774 0.020 2 1956 206 208 LYS HG2 H 1.317 0.020 1 1957 206 208 LYS HG3 H 1.317 0.020 1 1958 206 208 LYS CA C 57.498 0.3 1 1959 206 208 LYS CB C 33.549 0.3 1 1960 206 208 LYS CG C 24.632 0.3 1 1961 206 208 LYS N N 129.024 0.3 1 stop_ save_