data_17799 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; NMR structure of the protein YP_001302112.1 from Parabacteroides distasonis ; _BMRB_accession_number 17799 _BMRB_flat_file_name bmr17799.str _Entry_type original _Submission_date 2011-07-22 _Accession_date 2011-07-22 _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 Serrano Pedro . . 2 Mohanty Biswaranjan . . 3 Geralt Michael . . 4 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" 650 "13C chemical shifts" 488 "15N chemical shifts" 124 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2011-08-25 original author . stop_ loop_ _Related_BMRB_accession_number _Relationship 17806 YP_001302112.1 stop_ _Original_release_date 2011-08-25 save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'NMR structure of the protein YP_001302112.1 from Parabacteroides distasonis' _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 Serrano Pedro . . 2 Mohanty Biswaranjan . . 3 Geralt Michael . . 4 Wuthrich Kurt . . stop_ _Journal_abbreviation 'Not known' _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 YP_001302112.1 _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label YP_001302112 $YP_001302112 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_YP_001302112 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common entity _Molecular_mass 13807.372 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 200 _Mol_residue_sequence ; MRKYLYLSAVCVCMALCFVG CSKDDDEPGGKGAMYEVTIE QSGDFRSFIKSVVVVANGTQ LKDGATGESLASPVILSDEE LAVEKVTLSTTGKAIEFAVS GGVVDGEDGVVNEPMQWVVT VYKNGKEIEKKSLVFRDGKE ISTDDLNLYYNVVDGEDGVV NEPMQWVVTVYKNGKEIEKK SLVFRDGKEISTDDLNLYYN ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 -21 MET 2 -20 ARG 3 -19 LYS 4 -18 TYR 5 -17 LEU 6 -16 TYR 7 -15 LEU 8 -14 SER 9 -13 ALA 10 -12 VAL 11 -11 CYS 12 -10 VAL 13 -9 CYS 14 -8 MET 15 -7 ALA 16 -6 LEU 17 -5 CYS 18 -4 PHE 19 -3 VAL 20 -2 GLY 21 -1 CYS 22 0 SER 23 1 LYS 24 2 ASP 25 3 ASP 26 4 ASP 27 5 GLU 28 6 PRO 29 7 GLY 30 8 GLY 31 9 LYS 32 10 GLY 33 11 ALA 34 12 MET 35 13 TYR 36 14 GLU 37 15 VAL 38 16 THR 39 17 ILE 40 18 GLU 41 19 GLN 42 20 SER 43 21 GLY 44 22 ASP 45 23 PHE 46 24 ARG 47 25 SER 48 26 PHE 49 27 ILE 50 28 LYS 51 29 SER 52 30 VAL 53 31 VAL 54 32 VAL 55 33 VAL 56 34 ALA 57 35 ASN 58 36 GLY 59 37 THR 60 38 GLN 61 39 LEU 62 40 LYS 63 41 ASP 64 42 GLY 65 43 ALA 66 44 THR 67 45 GLY 68 46 GLU 69 47 SER 70 48 LEU 71 49 ALA 72 50 SER 73 51 PRO 74 52 VAL 75 53 ILE 76 54 LEU 77 55 SER 78 56 ASP 79 57 GLU 80 58 GLU 81 59 LEU 82 60 ALA 83 61 VAL 84 62 GLU 85 63 LYS 86 64 VAL 87 65 THR 88 66 LEU 89 67 SER 90 68 THR 91 69 THR 92 70 GLY 93 71 LYS 94 72 ALA 95 73 ILE 96 74 GLU 97 75 PHE 98 76 ALA 99 77 VAL 100 78 SER 101 79 GLY 102 80 GLY 103 81 VAL 104 82 VAL 105 83 ASP 106 84 GLY 107 85 GLU 108 86 ASP 109 87 GLY 110 88 VAL 111 89 VAL 112 90 ASN 113 91 GLU 114 92 PRO 115 93 MET 116 94 GLN 117 95 TRP 118 96 VAL 119 97 VAL 120 98 THR 121 99 VAL 122 100 TYR 123 101 LYS 124 102 ASN 125 103 GLY 126 104 LYS 127 105 GLU 128 106 ILE 129 107 GLU 130 108 LYS 131 109 LYS 132 110 SER 133 111 LEU 134 112 VAL 135 113 PHE 136 114 ARG 137 115 ASP 138 116 GLY 139 117 LYS 140 118 GLU 141 119 ILE 142 120 SER 143 121 THR 144 122 ASP 145 123 ASP 146 124 LEU 147 125 ASN 148 126 LEU 149 127 TYR 150 128 TYR 151 129 ASN 152 130 VAL 153 131 VAL 154 132 ASP 155 133 GLY 156 134 GLU 157 135 ASP 158 136 GLY 159 137 VAL 160 138 VAL 161 139 ASN 162 140 GLU 163 141 PRO 164 142 MET 165 143 GLN 166 144 TRP 167 145 VAL 168 146 VAL 169 147 THR 170 148 VAL 171 149 TYR 172 150 LYS 173 151 ASN 174 152 GLY 175 153 LYS 176 154 GLU 177 155 ILE 178 156 GLU 179 157 LYS 180 158 LYS 181 159 SER 182 160 LEU 183 161 VAL 184 162 PHE 185 163 ARG 186 164 ASP 187 165 GLY 188 166 LYS 189 167 GLU 190 168 ILE 191 169 SER 192 170 THR 193 171 ASP 194 172 ASP 195 173 LEU 196 174 ASN 197 175 LEU 198 176 TYR 199 177 TYR 200 178 ASN stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-10-14 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 17806 entity 64.50 129 100.00 100.00 2.11e-83 PDB 2LG7 "Nmr Structure Of The Protein Yp_001302112.1 From Parabacteroides Distasonis" 64.00 129 100.00 100.00 1.64e-82 PDB 2LGE "Nmr Structure Of The Calcium-Bound Form Of The Protein Yp_001302112.1 From Parabacteroides Distasonis" 64.00 129 100.00 100.00 1.64e-82 EMBL CUP04873 "Uncharacterised protein [Bacteroides vulgatus]" 75.50 151 100.00 100.00 3.58e-102 EMBL CUP86285 "Uncharacterised protein [Parabacteroides merdae]" 75.50 151 100.00 100.00 3.58e-102 EMBL CUQ25107 "Uncharacterised protein [Bacteroides thetaiotaomicron]" 75.50 151 100.00 100.00 3.58e-102 GB AAO45318 "hypothetical protein BT_p548220 [Bacteroides thetaiotaomicron VPI-5482]" 75.50 151 100.00 100.00 3.58e-102 GB ABR42490 "conserved hypothetical protein [Parabacteroides distasonis ATCC 8503]" 75.50 151 100.00 100.00 3.58e-102 GB EFG18115 "conserved hypothetical protein [Bacteroides vulgatus PC510]" 75.50 151 99.34 100.00 1.92e-101 GB EFK63750 "hypothetical protein HMPREF9008_04638 [Parabacteroides sp. 20_3]" 75.50 151 100.00 100.00 3.58e-102 GB EIY16653 "hypothetical protein HMPREF1063_05125 [Bacteroides dorei CL02T00C15]" 75.50 151 100.00 100.00 3.58e-102 REF NP_818973 "hypothetical protein BT_p548220 [Bacteroides thetaiotaomicron VPI-5482]" 75.50 151 100.00 100.00 3.58e-102 REF WP_005842168 "peptide chain release factor 2 [Bacteroides vulgatus]" 75.50 151 99.34 100.00 1.92e-101 REF WP_007659490 "MULTISPECIES: peptide chain release factor 2 [Bacteroidales]" 75.50 151 100.00 100.00 3.58e-102 REF WP_032583709 "peptide chain release factor 2, partial [Bacteroides fragilis]" 71.50 143 99.30 100.00 5.22e-95 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $YP_001302112 'Parabacteroides distasonis' 823 Bacteria Parabacteroides Parabacteroides distasonis 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 $YP_001302112 'recombinant technology' . Escherichia coli 'BL21 DE3' pSpeedET 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 $YP_001302112 1.2 mM '[U-98% 13C; U-98% 15N]' 'sodium phosphate' 20 mM 'natural abundance' 'sodium chloride' 25 mM 'natural abundance' 'sodium azide' 5 mM 'natural abundance' H2O 95 % 'natural abundance' D2O 5 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Saveframe_category software _Name CYANA _Version . loop_ _Vendor _Address _Electronic_address 'G ntert P.' . . stop_ loop_ _Task refinement 'structure solution' 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_ 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_UNIO _Saveframe_category software _Name UNIO _Version . loop_ _Vendor _Address _Electronic_address 'Unio Herrmann Wuthrich' . . stop_ loop_ _Task 'chemical shift assignment' 'peak picking' 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_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aliphatic_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aliphatic' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_aromatic_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY aromatic' _Sample_label $sample_1 save_ save_3D_1H-15N_NOESY_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _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_4D_APSY_HACANH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '4D APSY HACANH' _Sample_label $sample_1 save_ save_5D_APSY_HACACONH_7 _Saveframe_category NMR_applied_experiment _Experiment_name '5D APSY HACACONH' _Sample_label $sample_1 save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.18 . M pH 6.0 . 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 n/a indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.00 internal direct . . . 1.000000000 DSS N 15 'methyl protons' ppm 0.00 n/a indirect . . . 0.101329118 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D 1H-13C NOESY aliphatic' '3D 1H-13C NOESY aromatic' '3D 1H-15N NOESY' '5D APSY CBCACONH' '4D APSY HACANH' '5D APSY HACACONH' 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 YP_001302112 _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 1 23 LYS HB2 H 3.814 0.025 2 2 1 23 LYS HB3 H 3.814 0.025 2 3 1 23 LYS C C 167.901 0.16 1 4 1 23 LYS CA C 40.731 0.16 1 5 2 24 ASP H H 8.661 0.025 1 6 2 24 ASP HA H 4.506 0.025 1 7 2 24 ASP HB2 H 3.806 0.025 2 8 2 24 ASP C C 173.484 0.16 1 9 2 24 ASP CA C 52.589 0.16 1 10 2 24 ASP CB C 38.351 0.16 1 11 2 24 ASP N N 120.668 0.12 1 12 3 25 ASP H H 8.430 0.025 1 13 3 25 ASP HA H 4.524 0.025 1 14 3 25 ASP HB2 H 2.515 0.025 2 15 3 25 ASP HB3 H 2.515 0.025 2 16 3 25 ASP C C 173.175 0.16 1 17 3 25 ASP CA C 51.688 0.16 1 18 3 25 ASP CB C 38.154 0.16 1 19 3 25 ASP N N 118.932 0.12 1 20 4 26 ASP H H 7.995 0.025 1 21 4 26 ASP HA H 4.505 0.025 1 22 4 26 ASP HB2 H 2.550 0.025 2 23 4 26 ASP HB3 H 2.586 0.025 2 24 4 26 ASP CA C 52.277 0.16 1 25 4 26 ASP CB C 38.606 0.16 1 26 4 26 ASP N N 119.579 0.12 1 27 5 27 GLU H H 8.111 0.025 1 28 5 27 GLU HA H 4.505 0.025 1 29 5 27 GLU HB2 H 1.941 0.025 2 30 5 27 GLU HB3 H 1.843 0.025 2 31 5 27 GLU HG2 H 2.192 0.025 2 32 5 27 GLU HG3 H 2.192 0.025 2 33 5 27 GLU CA C 51.629 0.16 1 34 5 27 GLU CB C 27.189 0.16 1 35 5 27 GLU CG C 33.194 0.16 1 36 5 27 GLU N N 121.980 0.12 1 37 6 28 PRO HA H 4.334 0.025 1 38 6 28 PRO HB2 H 2.232 0.025 2 39 6 28 PRO HB3 H 1.874 0.025 2 40 6 28 PRO HG2 H 2.204 0.025 2 41 6 28 PRO HG3 H 2.204 0.025 2 42 6 28 PRO HD2 H 3.638 0.025 2 43 6 28 PRO HD3 H 3.768 0.025 2 44 6 28 PRO C C 174.360 0.16 1 45 6 28 PRO CA C 61.142 0.16 1 46 6 28 PRO CB C 29.400 0.16 1 47 6 28 PRO CG C 27.295 0.16 1 48 6 28 PRO CD C 47.570 0.16 1 49 7 29 GLY H H 8.544 0.025 1 50 7 29 GLY HA2 H 4.727 0.025 2 51 7 29 GLY HA3 H 3.885 0.025 2 52 7 29 GLY CA C 43.015 0.16 1 53 7 29 GLY N N 109.596 0.12 1 54 8 30 GLY H H 8.144 0.025 1 55 8 30 GLY HA2 H 3.921 0.025 2 56 8 30 GLY HA3 H 4.727 0.025 2 57 8 30 GLY CA C 42.723 0.16 1 58 8 30 GLY N N 108.523 0.12 1 59 9 31 LYS H H 8.092 0.025 1 60 9 31 LYS HA H 4.315 0.025 1 61 9 31 LYS HB2 H 1.778 0.025 2 62 9 31 LYS HB3 H 1.636 0.025 2 63 9 31 LYS HG2 H 1.332 0.025 2 64 9 31 LYS HG3 H 1.395 0.025 2 65 9 31 LYS HD2 H 1.706 0.025 2 66 9 31 LYS HD3 H 1.613 0.025 2 67 9 31 LYS CA C 53.180 0.16 1 68 9 31 LYS CB C 31.071 0.16 1 69 9 31 LYS CG C 22.349 0.16 1 70 9 31 LYS CD C 26.361 0.16 1 71 9 31 LYS N N 119.925 0.12 1 72 10 32 GLY H H 8.335 0.025 1 73 10 32 GLY HA2 H 4.003 0.025 2 74 10 32 GLY HA3 H 3.762 0.025 2 75 10 32 GLY C C 170.161 0.16 1 76 10 32 GLY CA C 41.887 0.16 1 77 10 32 GLY N N 107.433 0.12 1 78 11 33 ALA H H 8.188 0.025 1 79 11 33 ALA HA H 4.516 0.025 1 80 11 33 ALA HB H 0.907 0.025 1 81 11 33 ALA C C 172.107 0.16 1 82 11 33 ALA CA C 48.211 0.16 1 83 11 33 ALA CB C 20.443 0.16 1 84 11 33 ALA N N 121.013 0.12 1 85 12 34 MET H H 7.721 0.025 1 86 12 34 MET HA H 4.420 0.025 1 87 12 34 MET HB2 H 1.920 0.025 2 88 12 34 MET HB3 H 1.718 0.025 2 89 12 34 MET HG2 H 2.394 0.025 2 90 12 34 MET HG3 H 2.162 0.025 2 91 12 34 MET HE H 1.807 0.025 1 92 12 34 MET C C 173.076 0.16 1 93 12 34 MET CA C 51.300 0.16 1 94 12 34 MET CB C 29.727 0.16 1 95 12 34 MET CG C 29.626 0.16 1 96 12 34 MET CE C 14.340 0.16 1 97 12 34 MET N N 118.322 0.12 1 98 13 35 TYR H H 8.089 0.025 1 99 13 35 TYR HA H 5.325 0.025 1 100 13 35 TYR HB2 H 1.294 0.025 2 101 13 35 TYR HB3 H 1.294 0.025 2 102 13 35 TYR HD1 H 6.735 0.025 3 103 13 35 TYR HD2 H 6.735 0.025 3 104 13 35 TYR HE1 H 6.649 0.025 3 105 13 35 TYR HE2 H 6.649 0.025 3 106 13 35 TYR C C 172.542 0.16 1 107 13 35 TYR CA C 53.978 0.16 1 108 13 35 TYR CB C 39.412 0.16 1 109 13 35 TYR CD1 C 125.657 0.16 3 110 13 35 TYR CD2 C 125.657 0.16 3 111 13 35 TYR CE1 C 123.128 0.16 3 112 13 35 TYR CE2 C 123.128 0.16 3 113 13 35 TYR N N 118.776 0.12 1 114 14 36 GLU H H 8.483 0.025 1 115 14 36 GLU HA H 5.016 0.025 1 116 14 36 GLU HB2 H 1.846 0.025 2 117 14 36 GLU HB3 H 1.846 0.025 2 118 14 36 GLU HG2 H 1.839 0.025 2 119 14 36 GLU HG3 H 2.080 0.025 2 120 14 36 GLU C C 170.553 0.16 1 121 14 36 GLU CA C 52.287 0.16 1 122 14 36 GLU CB C 31.691 0.16 1 123 14 36 GLU CG C 33.927 0.16 1 124 14 36 GLU N N 121.267 0.12 1 125 15 37 VAL H H 9.443 0.025 1 126 15 37 VAL HA H 5.871 0.025 1 127 15 37 VAL HB H 2.078 0.025 1 128 15 37 VAL HG1 H 0.857 0.025 2 129 15 37 VAL HG2 H 1.052 0.025 2 130 15 37 VAL C C 169.552 0.16 1 131 15 37 VAL CA C 55.174 0.16 1 132 15 37 VAL CB C 32.919 0.16 1 133 15 37 VAL CG1 C 20.071 0.16 2 134 15 37 VAL CG2 C 17.302 0.16 2 135 15 37 VAL N N 123.336 0.12 1 136 16 38 THR H H 9.128 0.025 1 137 16 38 THR HA H 5.394 0.025 1 138 16 38 THR HB H 3.924 0.025 1 139 16 38 THR HG2 H 1.173 0.025 1 140 16 38 THR C C 170.871 0.16 1 141 16 38 THR CA C 56.593 0.16 1 142 16 38 THR CB C 68.987 0.16 1 143 16 38 THR CG2 C 19.333 0.16 1 144 16 38 THR N N 118.655 0.12 1 145 17 39 ILE H H 9.044 0.025 1 146 17 39 ILE HA H 4.288 0.025 1 147 17 39 ILE HB H 1.250 0.025 1 148 17 39 ILE HG12 H 1.132 0.025 2 149 17 39 ILE HG13 H 0.427 0.025 2 150 17 39 ILE HG2 H 0.161 0.025 1 151 17 39 ILE HD1 H -0.283 0.025 1 152 17 39 ILE C C 171.480 0.16 1 153 17 39 ILE CA C 58.207 0.16 1 154 17 39 ILE CB C 37.554 0.16 1 155 17 39 ILE CG1 C 25.113 0.16 1 156 17 39 ILE CG2 C 11.416 0.16 1 157 17 39 ILE CD1 C 13.179 0.16 1 158 17 39 ILE N N 124.438 0.12 1 159 18 40 GLU H H 8.617 0.025 1 160 18 40 GLU HA H 4.949 0.025 1 161 18 40 GLU HB2 H 1.908 0.025 2 162 18 40 GLU HB3 H 2.046 0.025 2 163 18 40 GLU HG2 H 1.996 0.025 2 164 18 40 GLU HG3 H 2.038 0.025 2 165 18 40 GLU C C 173.334 0.16 1 166 18 40 GLU CA C 51.894 0.16 1 167 18 40 GLU CB C 29.964 0.16 1 168 18 40 GLU CG C 35.081 0.16 1 169 18 40 GLU N N 125.227 0.12 1 170 19 41 GLN H H 9.418 0.025 1 171 19 41 GLN HA H 5.499 0.025 1 172 19 41 GLN HB2 H 0.756 0.025 2 173 19 41 GLN HB3 H 1.289 0.025 2 174 19 41 GLN HG2 H 1.588 0.025 2 175 19 41 GLN HG3 H 1.588 0.025 2 176 19 41 GLN HE21 H 6.798 0.025 2 177 19 41 GLN HE22 H 7.094 0.025 2 178 19 41 GLN C C 172.069 0.16 1 179 19 41 GLN CA C 51.557 0.16 1 180 19 41 GLN CB C 30.008 0.16 1 181 19 41 GLN CG C 32.724 0.16 1 182 19 41 GLN N N 123.845 0.12 1 183 19 41 GLN NE2 N 112.193 0.12 1 184 20 42 SER H H 9.025 0.025 1 185 20 42 SER HA H 4.938 0.025 1 186 20 42 SER HB2 H 4.055 0.025 2 187 20 42 SER HB3 H 3.930 0.025 2 188 20 42 SER C C 172.342 0.16 1 189 20 42 SER CA C 55.203 0.16 1 190 20 42 SER CB C 62.802 0.16 1 191 20 42 SER N N 114.592 0.12 1 192 21 43 GLY H H 8.971 0.025 1 193 21 43 GLY HA2 H 3.947 0.025 2 194 21 43 GLY HA3 H 3.947 0.025 2 195 21 43 GLY CA C 42.907 0.16 1 196 21 43 GLY N N 109.069 0.12 1 197 22 44 ASP H H 8.278 0.025 1 198 22 44 ASP HA H 4.963 0.025 1 199 22 44 ASP HB2 H 2.463 0.025 2 200 22 44 ASP HB3 H 3.117 0.025 2 201 22 44 ASP CA C 51.108 0.16 1 202 22 44 ASP CB C 36.441 0.16 1 203 22 44 ASP N N 126.077 0.12 1 204 23 45 PHE H H 7.840 0.025 1 205 23 45 PHE HA H 4.979 0.025 1 206 23 45 PHE HB2 H 2.758 0.025 2 207 23 45 PHE HB3 H 2.758 0.025 2 208 23 45 PHE HD1 H 6.907 0.025 3 209 23 45 PHE HD2 H 6.907 0.025 3 210 23 45 PHE HE1 H 7.238 0.025 3 211 23 45 PHE HE2 H 7.238 0.025 3 212 23 45 PHE CA C 57.200 0.16 1 213 23 45 PHE CB C 36.444 0.16 1 214 23 45 PHE CD1 C 127.929 0.16 3 215 23 45 PHE CD2 C 127.929 0.16 3 216 23 45 PHE CE1 C 127.878 0.16 3 217 23 45 PHE CE2 C 127.878 0.16 3 218 23 45 PHE N N 116.315 0.12 1 219 24 46 ARG H H 8.120 0.025 1 220 24 46 ARG HA H 3.953 0.025 1 221 24 46 ARG HB2 H 1.751 0.025 2 222 24 46 ARG HB3 H 1.222 0.025 2 223 24 46 ARG HG2 H 0.916 0.025 2 224 24 46 ARG HG3 H 1.489 0.025 2 225 24 46 ARG HD2 H 2.885 0.025 2 226 24 46 ARG HD3 H 3.079 0.025 2 227 24 46 ARG C C 174.334 0.16 1 228 24 46 ARG CA C 55.659 0.16 1 229 24 46 ARG CB C 26.310 0.16 1 230 24 46 ARG CG C 26.572 0.16 1 231 24 46 ARG CD C 40.396 0.16 1 232 24 46 ARG N N 121.565 0.12 1 233 25 47 SER H H 7.457 0.025 1 234 25 47 SER HA H 4.261 0.025 1 235 25 47 SER HB2 H 3.655 0.025 2 236 25 47 SER HB3 H 3.604 0.025 2 237 25 47 SER C C 169.972 0.16 1 238 25 47 SER CA C 56.716 0.16 1 239 25 47 SER CB C 60.594 0.16 1 240 25 47 SER N N 113.660 0.12 1 241 26 48 PHE H H 6.975 0.025 1 242 26 48 PHE HA H 4.405 0.025 1 243 26 48 PHE HB2 H 2.534 0.025 2 244 26 48 PHE HB3 H 2.653 0.025 2 245 26 48 PHE HD1 H 6.967 0.025 3 246 26 48 PHE HD2 H 6.967 0.025 3 247 26 48 PHE HE1 H 7.032 0.025 3 248 26 48 PHE HE2 H 7.032 0.025 3 249 26 48 PHE C C 172.020 0.16 1 250 26 48 PHE CA C 54.316 0.16 1 251 26 48 PHE CB C 39.395 0.16 1 252 26 48 PHE CD1 C 128.120 0.16 3 253 26 48 PHE CD2 C 128.120 0.16 3 254 26 48 PHE CE1 C 128.082 0.16 3 255 26 48 PHE CE2 C 128.080 0.16 3 256 26 48 PHE N N 119.076 0.12 1 257 27 49 ILE H H 8.798 0.025 1 258 27 49 ILE HA H 5.051 0.025 1 259 27 49 ILE HB H 1.748 0.025 1 260 27 49 ILE HG12 H 1.408 0.025 2 261 27 49 ILE HG13 H 1.058 0.025 2 262 27 49 ILE HG2 H 0.753 0.025 1 263 27 49 ILE HD1 H 0.789 0.025 1 264 27 49 ILE C C 174.616 0.16 1 265 27 49 ILE CA C 57.838 0.16 1 266 27 49 ILE CB C 34.659 0.16 1 267 27 49 ILE CG1 C 24.724 0.16 1 268 27 49 ILE CG2 C 10.403 0.16 1 269 27 49 ILE CD1 C 14.611 0.16 1 270 27 49 ILE N N 124.120 0.12 1 271 28 50 LYS H H 10.162 0.025 1 272 28 50 LYS HA H 4.843 0.025 1 273 28 50 LYS HB3 H 1.637 0.025 2 274 28 50 LYS HD2 H 1.979 0.025 2 275 28 50 LYS HD3 H 1.979 0.025 2 276 28 50 LYS C C 173.128 0.16 1 277 28 50 LYS CA C 52.972 0.16 1 278 28 50 LYS CB C 31.563 0.16 1 279 28 50 LYS CG C 25.047 0.16 1 280 28 50 LYS CD C 31.720 0.16 1 281 28 50 LYS N N 130.910 0.12 1 282 29 51 SER H H 8.304 0.025 1 283 29 51 SER HA H 5.033 0.025 1 284 29 51 SER HB2 H 3.630 0.025 2 285 29 51 SER HB3 H 3.578 0.025 2 286 29 51 SER C C 170.705 0.16 1 287 29 51 SER CA C 54.694 0.16 1 288 29 51 SER CB C 62.702 0.16 1 289 29 51 SER N N 113.735 0.12 1 290 30 52 VAL H H 8.256 0.025 1 291 30 52 VAL HA H 4.843 0.025 1 292 30 52 VAL HB H 1.579 0.025 1 293 30 52 VAL HG1 H 0.451 0.025 2 294 30 52 VAL HG2 H 0.491 0.025 2 295 30 52 VAL C C 170.448 0.16 1 296 30 52 VAL CA C 58.578 0.16 1 297 30 52 VAL CB C 34.024 0.16 1 298 30 52 VAL CG1 C 21.100 0.16 2 299 30 52 VAL CG2 C 18.703 0.16 2 300 30 52 VAL N N 124.176 0.12 1 301 31 53 VAL H H 9.212 0.025 1 302 31 53 VAL HA H 4.941 0.025 1 303 31 53 VAL HB H 1.779 0.025 1 304 31 53 VAL HG1 H 0.652 0.025 2 305 31 53 VAL HG2 H 0.782 0.025 2 306 31 53 VAL C C 172.625 0.16 1 307 31 53 VAL CA C 58.195 0.16 1 308 31 53 VAL CB C 31.450 0.16 1 309 31 53 VAL CG1 C 18.586 0.16 2 310 31 53 VAL CG2 C 18.586 0.16 2 311 31 53 VAL N N 127.058 0.12 1 312 32 54 VAL H H 9.059 0.025 1 313 32 54 VAL HA H 4.627 0.025 1 314 32 54 VAL HB H 1.658 0.025 1 315 32 54 VAL HG1 H 0.652 0.025 2 316 32 54 VAL HG2 H 0.545 0.025 2 317 32 54 VAL C C 171.005 0.16 1 318 32 54 VAL CA C 58.237 0.16 1 319 32 54 VAL CB C 31.301 0.16 1 320 32 54 VAL CG1 C 18.645 0.16 2 321 32 54 VAL CG2 C 20.106 0.16 2 322 32 54 VAL N N 128.081 0.12 1 323 33 55 VAL H H 8.719 0.025 1 324 33 55 VAL HA H 4.123 0.025 1 325 33 55 VAL HB H 1.649 0.025 1 326 33 55 VAL HG1 H 0.678 0.025 2 327 33 55 VAL C C 171.311 0.16 1 328 33 55 VAL CA C 57.797 0.16 1 329 33 55 VAL CB C 32.468 0.16 1 330 33 55 VAL CG1 C 18.645 0.16 2 331 33 55 VAL N N 127.005 0.12 1 332 34 56 ALA H H 8.751 0.025 1 333 34 56 ALA HA H 5.047 0.025 1 334 34 56 ALA HB H 1.226 0.025 1 335 34 56 ALA C C 171.877 0.16 1 336 34 56 ALA CA C 47.183 0.16 1 337 34 56 ALA CB C 19.382 0.16 1 338 34 56 ALA N N 127.996 0.12 1 339 35 57 ASN H H 7.859 0.025 1 340 35 57 ASN HA H 4.728 0.025 1 341 35 57 ASN HB2 H 2.870 0.025 2 342 35 57 ASN HB3 H 2.701 0.025 2 343 35 57 ASN HD21 H 6.836 0.025 2 344 35 57 ASN HD22 H 8.122 0.025 2 345 35 57 ASN C C 174.005 0.16 1 346 35 57 ASN CA C 50.947 0.16 1 347 35 57 ASN CB C 36.625 0.16 1 348 35 57 ASN N N 119.661 0.12 1 349 35 57 ASN ND2 N 111.908 0.12 1 350 36 58 GLY H H 8.783 0.025 1 351 36 58 GLY HA2 H 4.504 0.025 2 352 36 58 GLY HA3 H 3.724 0.025 2 353 36 58 GLY C C 170.574 0.16 1 354 36 58 GLY CA C 42.370 0.16 1 355 36 58 GLY N N 113.137 0.12 1 356 37 59 THR H H 7.563 0.025 1 357 37 59 THR HA H 4.658 0.025 1 358 37 59 THR HB H 4.005 0.025 1 359 37 59 THR HG2 H 1.034 0.025 1 360 37 59 THR C C 169.726 0.16 1 361 37 59 THR CA C 56.604 0.16 1 362 37 59 THR CB C 66.512 0.16 1 363 37 59 THR CG2 C 16.597 0.16 1 364 37 59 THR N N 114.010 0.12 1 365 38 60 GLN H H 8.122 0.025 1 366 38 60 GLN HA H 4.744 0.025 1 367 38 60 GLN HB2 H 2.097 0.025 2 368 38 60 GLN HB3 H 2.097 0.025 2 369 38 60 GLN HG2 H 2.302 0.025 2 370 38 60 GLN HG3 H 2.220 0.025 2 371 38 60 GLN HE21 H 7.179 0.025 2 372 38 60 GLN HE22 H 6.718 0.025 2 373 38 60 GLN C C 172.387 0.16 1 374 38 60 GLN CA C 52.442 0.16 1 375 38 60 GLN CB C 28.864 0.16 1 376 38 60 GLN CG C 32.709 0.16 1 377 38 60 GLN N N 119.228 0.12 1 378 38 60 GLN NE2 N 110.828 0.12 1 379 39 61 LEU H H 8.924 0.025 1 380 39 61 LEU HA H 5.168 0.025 1 381 39 61 LEU HB2 H 1.671 0.025 2 382 39 61 LEU HB3 H 1.291 0.025 2 383 39 61 LEU HG H 1.547 0.025 1 384 39 61 LEU HD1 H 0.915 0.025 2 385 39 61 LEU HD2 H 0.839 0.025 2 386 39 61 LEU C C 172.005 0.16 1 387 39 61 LEU CA C 50.331 0.16 1 388 39 61 LEU CB C 42.806 0.16 1 389 39 61 LEU CG C 25.852 0.16 1 390 39 61 LEU CD1 C 21.906 0.16 2 391 39 61 LEU CD2 C 23.006 0.16 2 392 39 61 LEU N N 120.960 0.12 1 393 40 62 LYS H H 9.479 0.025 1 394 40 62 LYS HA H 4.979 0.025 1 395 40 62 LYS HB2 H 1.291 0.025 2 396 40 62 LYS HB3 H 1.591 0.025 2 397 40 62 LYS HG2 H 0.915 0.025 2 398 40 62 LYS HG3 H 0.915 0.025 2 399 40 62 LYS HD2 H 1.425 0.025 2 400 40 62 LYS HD3 H 1.425 0.025 2 401 40 62 LYS HE2 H 2.756 0.025 2 402 40 62 LYS HE3 H 2.756 0.025 2 403 40 62 LYS C C 173.825 0.16 1 404 40 62 LYS CA C 51.794 0.16 1 405 40 62 LYS CB C 32.055 0.16 1 406 40 62 LYS CG C 21.777 0.16 1 407 40 62 LYS CD C 26.887 0.16 1 408 40 62 LYS CE C 39.307 0.16 1 409 40 62 LYS N N 121.523 0.12 1 410 41 63 ASP H H 8.517 0.025 1 411 41 63 ASP HA H 4.875 0.025 1 412 41 63 ASP HB2 H 2.967 0.025 2 413 41 63 ASP HB3 H 2.477 0.025 2 414 41 63 ASP C C 175.288 0.16 1 415 41 63 ASP CA C 51.118 0.16 1 416 41 63 ASP CB C 39.974 0.16 1 417 41 63 ASP N N 127.705 0.12 1 418 42 64 GLY H H 8.823 0.025 1 419 42 64 GLY HA2 H 3.727 0.025 2 420 42 64 GLY HA3 H 3.676 0.025 2 421 42 64 GLY C C 171.977 0.16 1 422 42 64 GLY CA C 44.507 0.16 1 423 42 64 GLY N N 115.583 0.12 1 424 43 65 ALA H H 8.674 0.025 1 425 43 65 ALA HA H 4.366 0.025 1 426 43 65 ALA HB H 1.555 0.025 1 427 43 65 ALA C C 176.946 0.16 1 428 43 65 ALA CA C 51.487 0.16 1 429 43 65 ALA CB C 16.872 0.16 1 430 43 65 ALA N N 122.284 0.12 1 431 44 66 THR H H 7.828 0.025 1 432 44 66 THR HA H 4.400 0.025 1 433 44 66 THR HB H 4.332 0.025 1 434 44 66 THR HG2 H 1.202 0.025 1 435 44 66 THR C C 174.047 0.16 1 436 44 66 THR CA C 59.015 0.16 1 437 44 66 THR CB C 68.606 0.16 1 438 44 66 THR CG2 C 18.761 0.16 1 439 44 66 THR N N 105.891 0.12 1 440 45 67 GLY H H 8.403 0.025 1 441 45 67 GLY HA2 H 4.125 0.025 2 442 45 67 GLY HA3 H 3.624 0.025 2 443 45 67 GLY C C 171.067 0.16 1 444 45 67 GLY CA C 42.986 0.16 1 445 45 67 GLY N N 111.376 0.12 1 446 46 68 GLU H H 7.827 0.025 1 447 46 68 GLU HA H 4.143 0.025 1 448 46 68 GLU HB2 H 1.926 0.025 2 449 46 68 GLU HB3 H 1.837 0.025 2 450 46 68 GLU HG2 H 2.152 0.025 2 451 46 68 GLU HG3 H 2.245 0.025 2 452 46 68 GLU C C 172.792 0.16 1 453 46 68 GLU CA C 53.872 0.16 1 454 46 68 GLU CB C 28.224 0.16 1 455 46 68 GLU CG C 33.420 0.16 1 456 46 68 GLU N N 121.010 0.12 1 457 47 69 SER H H 8.470 0.025 1 458 47 69 SER HA H 4.874 0.025 1 459 47 69 SER HB2 H 3.605 0.025 2 460 47 69 SER HB3 H 3.697 0.025 2 461 47 69 SER C C 170.945 0.16 1 462 47 69 SER CA C 55.593 0.16 1 463 47 69 SER CB C 61.402 0.16 1 464 47 69 SER N N 117.737 0.12 1 465 48 70 LEU H H 9.506 0.025 1 466 48 70 LEU HA H 4.555 0.025 1 467 48 70 LEU HB2 H 1.495 0.025 2 468 48 70 LEU HB3 H 1.495 0.025 2 469 48 70 LEU HG H 1.529 0.025 1 470 48 70 LEU HD1 H 0.812 0.025 2 471 48 70 LEU HD2 H 0.820 0.025 2 472 48 70 LEU C C 172.821 0.16 1 473 48 70 LEU CA C 50.951 0.16 1 474 48 70 LEU CB C 42.818 0.16 1 475 48 70 LEU CG C 24.170 0.16 1 476 48 70 LEU CD1 C 23.782 0.16 2 477 48 70 LEU CD2 C 20.823 0.16 2 478 48 70 LEU N N 127.186 0.12 1 479 49 71 ALA H H 8.144 0.025 1 480 49 71 ALA HA H 4.281 0.025 1 481 49 71 ALA HB H 1.297 0.025 1 482 49 71 ALA C C 173.800 0.16 1 483 49 71 ALA CA C 48.919 0.16 1 484 49 71 ALA CB C 16.370 0.16 1 485 49 71 ALA N N 123.108 0.12 1 486 50 72 SER H H 8.314 0.025 1 487 50 72 SER HA H 4.649 0.025 1 488 50 72 SER HB2 H 4.266 0.025 2 489 50 72 SER HB3 H 4.266 0.025 2 490 50 72 SER CA C 51.994 0.16 1 491 50 72 SER CB C 59.296 0.16 1 492 50 72 SER N N 112.462 0.12 1 493 51 73 PRO HA H 5.175 0.025 1 494 51 73 PRO HB2 H 1.616 0.025 2 495 51 73 PRO HB3 H 2.019 0.025 2 496 51 73 PRO HG2 H 1.867 0.025 2 497 51 73 PRO HG3 H 1.809 0.025 2 498 51 73 PRO HD2 H 3.561 0.025 2 499 51 73 PRO HD3 H 3.519 0.025 2 500 51 73 PRO C C 172.784 0.16 1 501 51 73 PRO CA C 59.644 0.16 1 502 51 73 PRO CB C 32.117 0.16 1 503 51 73 PRO CG C 22.058 0.16 1 504 51 73 PRO CD C 48.000 0.16 1 505 52 74 VAL H H 9.029 0.025 1 506 52 74 VAL HA H 4.127 0.025 1 507 52 74 VAL HB H 1.764 0.025 1 508 52 74 VAL HG1 H 0.916 0.025 2 509 52 74 VAL HG2 H 0.764 0.025 2 510 52 74 VAL C C 171.466 0.16 1 511 52 74 VAL CA C 59.230 0.16 1 512 52 74 VAL CB C 30.875 0.16 1 513 52 74 VAL CG1 C 21.841 0.16 2 514 52 74 VAL CG2 C 18.995 0.16 2 515 52 74 VAL N N 122.611 0.12 1 516 53 75 ILE H H 8.396 0.025 1 517 53 75 ILE HA H 4.550 0.025 1 518 53 75 ILE HB H 1.698 0.025 1 519 53 75 ILE HG12 H 0.995 0.025 2 520 53 75 ILE HG13 H 1.409 0.025 2 521 53 75 ILE HG2 H 0.709 0.025 1 522 53 75 ILE HD1 H 0.773 0.025 1 523 53 75 ILE C C 173.360 0.16 1 524 53 75 ILE CA C 57.709 0.16 1 525 53 75 ILE CB C 36.086 0.16 1 526 53 75 ILE CG1 C 25.194 0.16 1 527 53 75 ILE CG2 C 14.948 0.16 1 528 53 75 ILE CD1 C 10.780 0.16 1 529 53 75 ILE N N 127.603 0.12 1 530 54 76 LEU H H 9.642 0.025 1 531 54 76 LEU HA H 4.526 0.025 1 532 54 76 LEU HB2 H 1.944 0.025 2 533 54 76 LEU HB3 H 1.147 0.025 2 534 54 76 LEU HG H 1.420 0.025 1 535 54 76 LEU HD1 H 0.656 0.025 2 536 54 76 LEU HD2 H 0.561 0.025 2 537 54 76 LEU C C 172.472 0.16 1 538 54 76 LEU CA C 51.163 0.16 1 539 54 76 LEU CB C 39.709 0.16 1 540 54 76 LEU CG C 24.012 0.16 1 541 54 76 LEU CD1 C 20.725 0.16 2 542 54 76 LEU CD2 C 23.188 0.16 2 543 54 76 LEU N N 129.088 0.12 1 544 55 77 SER H H 9.011 0.025 1 545 55 77 SER HA H 5.107 0.025 1 546 55 77 SER HB2 H 4.272 0.025 2 547 55 77 SER HB3 H 4.040 0.025 2 548 55 77 SER C C 172.050 0.16 1 549 55 77 SER CA C 53.578 0.16 1 550 55 77 SER CB C 63.741 0.16 1 551 55 77 SER N N 120.477 0.12 1 552 56 78 ASP H H 8.363 0.025 1 553 56 78 ASP HA H 4.373 0.025 1 554 56 78 ASP HB2 H 2.548 0.025 2 555 56 78 ASP HB3 H 2.682 0.025 2 556 56 78 ASP C C 175.885 0.16 1 557 56 78 ASP CA C 56.871 0.16 1 558 56 78 ASP CB C 39.268 0.16 1 559 56 78 ASP N N 119.628 0.12 1 560 57 79 GLU H H 8.287 0.025 1 561 57 79 GLU HA H 4.031 0.025 1 562 57 79 GLU HB2 H 1.895 0.025 2 563 57 79 GLU HB3 H 1.929 0.025 2 564 57 79 GLU HG2 H 2.264 0.025 2 565 57 79 GLU HG3 H 2.264 0.025 2 566 57 79 GLU C C 176.147 0.16 1 567 57 79 GLU CA C 56.867 0.16 1 568 57 79 GLU CB C 26.463 0.16 1 569 57 79 GLU CG C 33.796 0.16 1 570 57 79 GLU N N 117.568 0.12 1 571 58 80 GLU H H 7.831 0.025 1 572 58 80 GLU HA H 4.210 0.025 1 573 58 80 GLU HB2 H 2.221 0.025 2 574 58 80 GLU HB3 H 2.123 0.025 2 575 58 80 GLU HG2 H 2.233 0.025 2 576 58 80 GLU HG3 H 2.614 0.025 2 577 58 80 GLU C C 174.206 0.16 1 578 58 80 GLU CA C 56.894 0.16 1 579 58 80 GLU CB C 27.411 0.16 1 580 58 80 GLU CG C 34.694 0.16 1 581 58 80 GLU N N 118.660 0.12 1 582 59 81 LEU H H 7.779 0.025 1 583 59 81 LEU HA H 4.421 0.025 1 584 59 81 LEU HB2 H 1.608 0.025 2 585 59 81 LEU HB3 H 1.952 0.025 2 586 59 81 LEU HG H 1.479 0.025 1 587 59 81 LEU HD1 H 0.524 0.025 2 588 59 81 LEU HD2 H 0.623 0.025 2 589 59 81 LEU C C 172.889 0.16 1 590 59 81 LEU CA C 50.656 0.16 1 591 59 81 LEU CB C 39.265 0.16 1 592 59 81 LEU CG C 24.048 0.16 1 593 59 81 LEU CD1 C 19.256 0.16 2 594 59 81 LEU CD2 C 24.266 0.16 2 595 59 81 LEU N N 116.569 0.12 1 596 60 82 ALA H H 7.255 0.025 1 597 60 82 ALA HA H 4.561 0.025 1 598 60 82 ALA HB H 1.511 0.025 1 599 60 82 ALA C C 174.586 0.16 1 600 60 82 ALA CA C 50.450 0.16 1 601 60 82 ALA CB C 16.180 0.16 1 602 60 82 ALA N N 121.609 0.12 1 603 61 83 VAL H H 6.781 0.025 1 604 61 83 VAL HA H 4.554 0.025 1 605 61 83 VAL HB H 2.302 0.025 1 606 61 83 VAL HG1 H 0.832 0.025 2 607 61 83 VAL HG2 H 0.962 0.025 2 608 61 83 VAL C C 171.900 0.16 1 609 61 83 VAL CA C 56.600 0.16 1 610 61 83 VAL CB C 31.057 0.16 1 611 61 83 VAL CG1 C 15.834 0.16 2 612 61 83 VAL CG2 C 19.026 0.16 2 613 61 83 VAL N N 109.673 0.12 1 614 62 84 GLU H H 8.678 0.025 1 615 62 84 GLU HA H 3.606 0.025 1 616 62 84 GLU HB2 H 2.133 0.025 2 617 62 84 GLU HG2 H 2.477 0.025 2 618 62 84 GLU HG3 H 2.508 0.025 2 619 62 84 GLU C C 172.392 0.16 1 620 62 84 GLU CA C 56.956 0.16 1 621 62 84 GLU CB C 27.528 0.16 1 622 62 84 GLU CG C 34.540 0.16 1 623 62 84 GLU N N 117.673 0.12 1 624 63 85 LYS H H 7.428 0.025 1 625 63 85 LYS HA H 5.415 0.025 1 626 63 85 LYS HB2 H 1.638 0.025 2 627 63 85 LYS HG3 H 1.074 0.025 2 628 63 85 LYS HD2 H 1.552 0.025 2 629 63 85 LYS HD3 H 1.552 0.025 2 630 63 85 LYS HE2 H 2.666 0.025 2 631 63 85 LYS HE3 H 2.666 0.025 2 632 63 85 LYS C C 171.964 0.16 1 633 63 85 LYS CA C 52.353 0.16 1 634 63 85 LYS CB C 32.919 0.16 1 635 63 85 LYS CG C 23.001 0.16 1 636 63 85 LYS CD C 27.092 0.16 1 637 63 85 LYS CE C 38.998 0.16 1 638 63 85 LYS N N 117.380 0.12 1 639 64 86 VAL H H 8.537 0.025 1 640 64 86 VAL HA H 4.242 0.025 1 641 64 86 VAL HB H 1.606 0.025 1 642 64 86 VAL HG1 H 0.737 0.025 2 643 64 86 VAL C C 171.457 0.16 1 644 64 86 VAL CA C 58.293 0.16 1 645 64 86 VAL CB C 32.893 0.16 1 646 64 86 VAL CG1 C 18.361 0.16 2 647 64 86 VAL N N 125.912 0.12 1 648 65 87 THR H H 8.869 0.025 1 649 65 87 THR HA H 5.255 0.025 1 650 65 87 THR HB H 3.751 0.025 1 651 65 87 THR HG2 H 1.029 0.025 1 652 65 87 THR C C 170.763 0.16 1 653 65 87 THR CA C 58.669 0.16 1 654 65 87 THR CB C 68.981 0.16 1 655 65 87 THR CG2 C 18.538 0.16 1 656 65 87 THR N N 122.340 0.12 1 657 66 88 LEU H H 8.805 0.025 1 658 66 88 LEU HA H 5.360 0.025 1 659 66 88 LEU HB2 H 1.270 0.025 2 660 66 88 LEU HB3 H 1.600 0.025 2 661 66 88 LEU HG H 1.572 0.025 1 662 66 88 LEU HD1 H 0.857 0.025 2 663 66 88 LEU HD2 H 1.031 0.025 2 664 66 88 LEU C C 172.734 0.16 1 665 66 88 LEU CA C 50.980 0.16 1 666 66 88 LEU CB C 44.446 0.16 1 667 66 88 LEU CG C 25.092 0.16 1 668 66 88 LEU CD1 C 21.955 0.16 2 669 66 88 LEU CD2 C 18.549 0.16 2 670 66 88 LEU N N 124.999 0.12 1 671 67 89 SER H H 8.376 0.025 1 672 67 89 SER HA H 5.336 0.025 1 673 67 89 SER HB2 H 3.721 0.025 2 674 67 89 SER HB3 H 3.844 0.025 2 675 67 89 SER C C 171.435 0.16 1 676 67 89 SER CA C 53.468 0.16 1 677 67 89 SER CB C 62.699 0.16 1 678 67 89 SER N N 114.398 0.12 1 679 68 90 THR H H 9.046 0.025 1 680 68 90 THR HA H 5.063 0.025 1 681 68 90 THR HB H 5.028 0.025 1 682 68 90 THR HG2 H 1.313 0.025 1 683 68 90 THR C C 173.606 0.16 1 684 68 90 THR CA C 58.826 0.16 1 685 68 90 THR CB C 66.456 0.16 1 686 68 90 THR CG2 C 21.285 0.16 1 687 68 90 THR N N 114.169 0.12 1 688 69 91 THR H H 8.636 0.025 1 689 69 91 THR HA H 3.980 0.025 1 690 69 91 THR HB H 4.179 0.025 1 691 69 91 THR HG2 H 0.996 0.025 1 692 69 91 THR C C 172.686 0.16 1 693 69 91 THR CA C 60.929 0.16 1 694 69 91 THR CB C 65.127 0.16 1 695 69 91 THR CG2 C 20.581 0.16 1 696 69 91 THR N N 115.559 0.12 1 697 70 92 GLY H H 7.599 0.025 1 698 70 92 GLY HA2 H 4.153 0.025 2 699 70 92 GLY HA3 H 4.153 0.025 2 700 70 92 GLY CA C 40.929 0.16 1 701 70 92 GLY N N 112.611 0.12 1 702 71 93 LYS H H 8.310 0.025 1 703 71 93 LYS HA H 3.746 0.025 1 704 71 93 LYS HB2 H 1.496 0.025 2 705 71 93 LYS HB3 H 1.199 0.025 2 706 71 93 LYS HG2 H 0.765 0.025 2 707 71 93 LYS HG3 H 0.765 0.025 2 708 71 93 LYS HD2 H 1.307 0.025 2 709 71 93 LYS HD3 H 1.307 0.025 2 710 71 93 LYS HE2 H 2.755 0.025 2 711 71 93 LYS HE3 H 2.755 0.025 2 712 71 93 LYS C C 173.228 0.16 1 713 71 93 LYS CA C 54.715 0.16 1 714 71 93 LYS CB C 30.928 0.16 1 715 71 93 LYS CG C 24.230 0.16 1 716 71 93 LYS CD C 27.076 0.16 1 717 71 93 LYS CE C 39.612 0.16 1 718 71 93 LYS N N 120.383 0.12 1 719 72 94 ALA H H 9.163 0.025 1 720 72 94 ALA HA H 4.851 0.025 1 721 72 94 ALA HB H 1.569 0.025 1 722 72 94 ALA C C 175.415 0.16 1 723 72 94 ALA CA C 47.206 0.16 1 724 72 94 ALA CB C 19.322 0.16 1 725 72 94 ALA N N 123.731 0.12 1 726 73 95 ILE H H 8.644 0.025 1 727 73 95 ILE HA H 4.048 0.025 1 728 73 95 ILE HB H 1.829 0.025 1 729 73 95 ILE HG12 H 1.410 0.025 2 730 73 95 ILE HG13 H 1.127 0.025 2 731 73 95 ILE HG2 H 0.889 0.025 1 732 73 95 ILE C C 173.411 0.16 1 733 73 95 ILE CA C 60.058 0.16 1 734 73 95 ILE CB C 36.159 0.16 1 735 73 95 ILE CG1 C 24.962 0.16 1 736 73 95 ILE CG2 C 15.639 0.16 1 737 73 95 ILE N N 120.084 0.12 1 738 74 96 GLU H H 7.307 0.025 1 739 74 96 GLU HA H 4.873 0.025 1 740 74 96 GLU HB2 H 2.071 0.025 2 741 74 96 GLU HB3 H 1.897 0.025 2 742 74 96 GLU HG2 H 2.162 0.025 2 743 74 96 GLU HG3 H 2.310 0.025 2 744 74 96 GLU C C 171.058 0.16 1 745 74 96 GLU CA C 52.340 0.16 1 746 74 96 GLU CB C 31.974 0.16 1 747 74 96 GLU CG C 34.522 0.16 1 748 74 96 GLU N N 115.137 0.12 1 749 75 97 PHE H H 8.676 0.025 1 750 75 97 PHE HA H 5.168 0.025 1 751 75 97 PHE HB2 H 1.600 0.025 2 752 75 97 PHE HB3 H 1.650 0.025 2 753 75 97 PHE HD1 H 6.670 0.025 3 754 75 97 PHE HD2 H 6.670 0.025 3 755 75 97 PHE HE1 H 7.001 0.025 3 756 75 97 PHE HE2 H 7.001 0.025 3 757 75 97 PHE C C 169.397 0.16 1 758 75 97 PHE CA C 53.414 0.16 1 759 75 97 PHE CB C 39.926 0.16 1 760 75 97 PHE CD1 C 127.491 0.16 3 761 75 97 PHE CD2 C 127.491 0.16 3 762 75 97 PHE CE1 C 129.512 0.16 3 763 75 97 PHE CE2 C 129.512 0.16 3 764 75 97 PHE N N 124.371 0.12 1 765 76 98 ALA H H 8.532 0.025 1 766 76 98 ALA HA H 4.970 0.025 1 767 76 98 ALA HB H 1.272 0.025 1 768 76 98 ALA C C 172.137 0.16 1 769 76 98 ALA CA C 47.934 0.16 1 770 76 98 ALA CB C 20.513 0.16 1 771 76 98 ALA N N 128.570 0.12 1 772 77 99 VAL H H 8.146 0.025 1 773 77 99 VAL HA H 4.689 0.025 1 774 77 99 VAL HB H 1.738 0.025 1 775 77 99 VAL HG1 H 0.564 0.025 2 776 77 99 VAL HG2 H 0.605 0.025 2 777 77 99 VAL C C 171.029 0.16 1 778 77 99 VAL CA C 57.864 0.16 1 779 77 99 VAL CB C 32.848 0.16 1 780 77 99 VAL CG1 C 18.483 0.16 2 781 77 99 VAL CG2 C 18.483 0.16 2 782 77 99 VAL N N 119.106 0.12 1 783 78 100 SER H H 8.949 0.025 1 784 78 100 SER HA H 5.202 0.025 1 785 78 100 SER HB2 H 3.847 0.025 2 786 78 100 SER HB3 H 3.847 0.025 2 787 78 100 SER C C 170.109 0.16 1 788 78 100 SER CA C 53.416 0.16 1 789 78 100 SER CB C 63.576 0.16 1 790 78 100 SER N N 121.259 0.12 1 791 79 101 GLY H H 8.391 0.025 1 792 79 101 GLY HA2 H 4.658 0.025 2 793 79 101 GLY HA3 H 4.431 0.025 2 794 79 101 GLY C C 169.180 0.16 1 795 79 101 GLY CA C 43.754 0.16 1 796 79 101 GLY N N 108.027 0.12 1 797 80 102 GLY H H 8.882 0.025 1 798 80 102 GLY HA2 H 3.991 0.025 2 799 80 102 GLY HA3 H 4.193 0.025 2 800 80 102 GLY CA C 42.887 0.16 1 801 80 102 GLY N N 106.273 0.12 1 802 81 103 VAL H H 7.386 0.025 1 803 81 103 VAL HA H 4.873 0.025 1 804 81 103 VAL HG1 H -0.550 0.025 2 805 81 103 VAL HG2 H -0.118 0.025 2 806 81 103 VAL C C 172.028 0.16 1 807 81 103 VAL CA C 56.688 0.16 1 808 81 103 VAL CB C 32.988 0.16 1 809 81 103 VAL CG1 C 17.660 0.16 2 810 81 103 VAL CG2 C 19.445 0.16 2 811 81 103 VAL N N 114.501 0.12 1 812 82 104 VAL H H 8.576 0.025 1 813 82 104 VAL HA H 4.293 0.025 1 814 82 104 VAL HB H 1.951 0.025 1 815 82 104 VAL HG1 H 0.687 0.025 2 816 82 104 VAL HG2 H 0.812 0.025 2 817 82 104 VAL C C 171.834 0.16 1 818 82 104 VAL CA C 57.605 0.16 1 819 82 104 VAL CB C 33.091 0.16 1 820 82 104 VAL CG1 C 18.422 0.16 2 821 82 104 VAL CG2 C 18.641 0.16 2 822 82 104 VAL N N 120.003 0.12 1 823 83 105 ASP H H 8.350 0.025 1 824 83 105 ASP HB2 H 2.490 0.025 2 825 83 105 ASP HB3 H 2.680 0.025 2 826 83 105 ASP CA C 51.770 0.16 1 827 83 105 ASP CB C 38.270 0.16 1 828 83 105 ASP N N 122.944 0.12 1 829 84 106 GLY H H 8.141 0.025 1 830 84 106 GLY HA2 H 4.035 0.025 2 831 84 106 GLY HA3 H 3.644 0.025 2 832 84 106 GLY CA C 42.715 0.16 1 833 84 106 GLY N N 110.376 0.12 1 834 85 107 GLU H H 8.397 0.025 1 835 85 107 GLU HA H 4.220 0.025 1 836 85 107 GLU HB2 H 1.843 0.025 2 837 85 107 GLU HB3 H 1.921 0.025 2 838 85 107 GLU HG2 H 2.094 0.025 2 839 85 107 GLU CB C 27.417 0.16 1 840 85 107 GLU CG C 33.212 0.16 1 841 85 107 GLU N N 119.976 0.12 1 842 91 113 GLU H H 8.570 0.025 1 843 91 113 GLU HA H 4.618 0.025 1 844 91 113 GLU HB2 H 2.198 0.025 2 845 91 113 GLU HB3 H 1.849 0.025 2 846 91 113 GLU HG2 H 2.262 0.025 2 847 91 113 GLU HG3 H 2.342 0.025 2 848 91 113 GLU CA C 51.690 0.16 1 849 91 113 GLU CB C 27.390 0.16 1 850 91 113 GLU CG C 33.814 0.16 1 851 91 113 GLU N N 121.821 0.12 1 852 92 114 PRO HA H 4.551 0.025 1 853 92 114 PRO HB3 H 2.093 0.025 2 854 92 114 PRO HG2 H 1.960 0.025 2 855 92 114 PRO HG3 H 1.885 0.025 2 856 92 114 PRO HD2 H 3.629 0.025 2 857 92 114 PRO HD3 H 3.759 0.025 2 858 92 114 PRO CA C 57.494 0.16 1 859 92 114 PRO CB C 30.476 0.16 1 860 92 114 PRO CG C 25.267 0.16 1 861 92 114 PRO CD C 47.570 0.16 1 862 93 115 MET H H 8.210 0.025 1 863 93 115 MET HA H 5.130 0.025 1 864 93 115 MET HB2 H 1.918 0.025 2 865 93 115 MET HB3 H 1.415 0.025 2 866 93 115 MET HG2 H 2.746 0.025 2 867 93 115 MET C C 170.262 0.16 1 868 93 115 MET CA C 51.993 0.16 1 869 93 115 MET CB C 33.828 0.16 1 870 93 115 MET CG C 36.481 0.16 1 871 93 115 MET CE C 14.627 0.16 1 872 94 116 GLN H H 8.216 0.025 1 873 94 116 GLN HA H 5.300 0.025 1 874 94 116 GLN HB2 H 1.891 0.025 2 875 94 116 GLN HB3 H 1.800 0.025 2 876 94 116 GLN HG2 H 2.076 0.025 2 877 94 116 GLN HG3 H 2.076 0.025 2 878 94 116 GLN HE21 H 6.622 0.025 2 879 94 116 GLN HE22 H 6.582 0.025 2 880 94 116 GLN C C 171.762 0.16 1 881 94 116 GLN CA C 51.480 0.16 1 882 94 116 GLN CB C 29.955 0.16 1 883 94 116 GLN CG C 32.159 0.16 1 884 94 116 GLN N N 119.670 0.12 1 885 94 116 GLN NE2 N 109.436 0.12 1 886 95 117 TRP H H 9.015 0.025 1 887 95 117 TRP HA H 5.646 0.025 1 888 95 117 TRP HB2 H 2.770 0.025 2 889 95 117 TRP HB3 H 3.136 0.025 2 890 95 117 TRP HE1 H 11.216 0.025 1 891 95 117 TRP HE3 H 7.147 0.025 1 892 95 117 TRP HZ2 H 7.055 0.025 1 893 95 117 TRP C C 173.377 0.16 1 894 95 117 TRP CA C 50.157 0.16 1 895 95 117 TRP CB C 32.201 0.16 1 896 95 117 TRP CE3 C 126.640 0.16 1 897 95 117 TRP CZ2 C 118.543 0.16 1 898 95 117 TRP N N 123.784 0.12 1 899 95 117 TRP NE1 N 129.890 0.12 1 900 96 118 VAL H H 8.818 0.025 1 901 96 118 VAL HA H 4.858 0.025 1 902 96 118 VAL HB H 1.866 0.025 1 903 96 118 VAL HG1 H 0.684 0.025 2 904 96 118 VAL HG2 H 0.875 0.025 2 905 96 118 VAL C C 173.903 0.16 1 906 96 118 VAL CA C 59.734 0.16 1 907 96 118 VAL CB C 30.795 0.16 1 908 96 118 VAL CG1 C 18.423 0.16 2 909 96 118 VAL CG2 C 18.423 0.16 2 910 96 118 VAL N N 120.803 0.12 1 911 97 119 VAL H H 9.495 0.025 1 912 97 119 VAL HA H 4.950 0.025 1 913 97 119 VAL HB H 1.843 0.025 1 914 97 119 VAL HG1 H 0.684 0.025 2 915 97 119 VAL HG2 H 0.630 0.025 2 916 97 119 VAL C C 171.486 0.16 1 917 97 119 VAL CA C 58.108 0.16 1 918 97 119 VAL CB C 30.919 0.16 1 919 97 119 VAL CG1 C 18.352 0.16 2 920 97 119 VAL N N 132.912 0.12 1 921 98 120 THR H H 8.873 0.025 1 922 98 120 THR HA H 5.002 0.025 1 923 98 120 THR HB H 3.929 0.025 1 924 98 120 THR HG2 H 0.740 0.025 1 925 98 120 THR C C 170.006 0.16 1 926 98 120 THR CA C 58.812 0.16 1 927 98 120 THR CB C 66.788 0.16 1 928 98 120 THR CG2 C 18.466 0.16 1 929 98 120 THR N N 123.715 0.12 1 930 99 121 VAL H H 8.597 0.025 1 931 99 121 VAL HA H 4.896 0.025 1 932 99 121 VAL HB H 1.652 0.025 1 933 99 121 VAL HG1 H 0.937 0.025 2 934 99 121 VAL C C 171.395 0.16 1 935 99 121 VAL CA C 58.295 0.16 1 936 99 121 VAL CB C 31.686 0.16 1 937 99 121 VAL CG1 C 18.539 0.16 2 938 99 121 VAL N N 124.895 0.12 1 939 100 122 TYR H H 9.330 0.025 1 940 100 122 TYR HA H 4.957 0.025 1 941 100 122 TYR HB2 H 2.167 0.025 2 942 100 122 TYR HB3 H 2.621 0.025 2 943 100 122 TYR HD1 H 6.604 0.025 3 944 100 122 TYR HD2 H 6.604 0.025 3 945 100 122 TYR HE1 H 6.587 0.025 3 946 100 122 TYR HE2 H 6.587 0.025 3 947 100 122 TYR C C 171.679 0.16 1 948 100 122 TYR CA C 52.787 0.16 1 949 100 122 TYR CB C 38.812 0.16 1 950 100 122 TYR CD1 C 128.460 0.16 3 951 100 122 TYR CD2 C 128.460 0.16 3 952 100 122 TYR CE1 C 113.438 0.16 3 953 100 122 TYR CE2 C 113.438 0.16 3 954 100 122 TYR N N 126.233 0.12 1 955 101 123 LYS H H 8.893 0.025 1 956 101 123 LYS HA H 4.537 0.025 1 957 101 123 LYS HB2 H 1.462 0.025 2 958 101 123 LYS HB3 H 1.067 0.025 2 959 101 123 LYS HG2 H 0.230 0.025 2 960 101 123 LYS HG3 H 0.463 0.025 2 961 101 123 LYS HD3 H 1.395 0.025 2 962 101 123 LYS HE2 H 2.589 0.025 2 963 101 123 LYS HE3 H 2.539 0.025 2 964 101 123 LYS C C 173.797 0.16 1 965 101 123 LYS CA C 51.051 0.16 1 966 101 123 LYS CB C 33.769 0.16 1 967 101 123 LYS CG C 22.743 0.16 1 968 101 123 LYS CD C 27.663 0.16 1 969 101 123 LYS CE C 39.615 0.16 1 970 101 123 LYS N N 122.654 0.12 1 971 102 124 ASN H H 9.606 0.025 1 972 102 124 ASN HA H 4.150 0.025 1 973 102 124 ASN HB2 H 2.877 0.025 2 974 102 124 ASN HB3 H 2.671 0.025 2 975 102 124 ASN HD21 H 7.204 0.025 2 976 102 124 ASN HD22 H 7.706 0.025 2 977 102 124 ASN C C 172.589 0.16 1 978 102 124 ASN CA C 51.163 0.16 1 979 102 124 ASN CB C 34.324 0.16 1 980 102 124 ASN N N 128.471 0.12 1 981 102 124 ASN ND2 N 115.017 0.12 1 982 103 125 GLY H H 8.876 0.025 1 983 103 125 GLY HA2 H 3.985 0.025 2 984 103 125 GLY HA3 H 3.421 0.025 2 985 103 125 GLY C C 170.857 0.16 1 986 103 125 GLY CA C 42.401 0.16 1 987 103 125 GLY N N 103.018 0.12 1 988 104 126 LYS H H 7.624 0.025 1 989 104 126 LYS HA H 4.604 0.025 1 990 104 126 LYS HB2 H 1.641 0.025 2 991 104 126 LYS HB3 H 1.727 0.025 2 992 104 126 LYS HG2 H 1.342 0.025 2 993 104 126 LYS HG3 H 1.267 0.025 2 994 104 126 LYS HD2 H 1.594 0.025 2 995 104 126 LYS HD3 H 1.594 0.025 2 996 104 126 LYS HE2 H 2.932 0.025 2 997 104 126 LYS HE3 H 2.932 0.025 2 998 104 126 LYS C C 172.667 0.16 1 999 104 126 LYS CA C 51.464 0.16 1 1000 104 126 LYS CB C 31.988 0.16 1 1001 104 126 LYS CG C 22.026 0.16 1 1002 104 126 LYS CD C 26.258 0.16 1 1003 104 126 LYS CE C 39.714 0.16 1 1004 104 126 LYS N N 120.773 0.12 1 1005 105 127 GLU H H 8.958 0.025 1 1006 105 127 GLU HA H 3.559 0.025 1 1007 105 127 GLU HB2 H 1.654 0.025 2 1008 105 127 GLU HB3 H 1.766 0.025 2 1009 105 127 GLU HG2 H 1.525 0.025 2 1010 105 127 GLU HG3 H 1.525 0.025 2 1011 105 127 GLU C C 174.081 0.16 1 1012 105 127 GLU CA C 55.056 0.16 1 1013 105 127 GLU CB C 27.528 0.16 1 1014 105 127 GLU CG C 33.373 0.16 1 1015 105 127 GLU N N 127.248 0.12 1 1016 106 128 ILE H H 8.948 0.025 1 1017 106 128 ILE HA H 4.599 0.025 1 1018 106 128 ILE HB H 1.866 0.025 1 1019 106 128 ILE HG12 H 0.647 0.025 2 1020 106 128 ILE HG13 H 1.033 0.025 2 1021 106 128 ILE HG2 H 0.802 0.025 1 1022 106 128 ILE HD1 H 0.479 0.025 1 1023 106 128 ILE C C 172.566 0.16 1 1024 106 128 ILE CA C 58.309 0.16 1 1025 106 128 ILE CB C 38.121 0.16 1 1026 106 128 ILE CG1 C 23.760 0.16 1 1027 106 128 ILE CG2 C 16.165 0.16 1 1028 106 128 ILE CD1 C 12.732 0.16 1 1029 106 128 ILE N N 121.603 0.12 1 1030 107 129 GLU H H 7.456 0.025 1 1031 107 129 GLU HA H 4.364 0.025 1 1032 107 129 GLU HB2 H 1.729 0.025 2 1033 107 129 GLU HB3 H 2.227 0.025 2 1034 107 129 GLU HG2 H 2.162 0.025 2 1035 107 129 GLU HG3 H 2.215 0.025 2 1036 107 129 GLU C C 170.170 0.16 1 1037 107 129 GLU CA C 54.289 0.16 1 1038 107 129 GLU CB C 31.020 0.16 1 1039 107 129 GLU CG C 33.909 0.16 1 1040 107 129 GLU N N 123.254 0.12 1 1041 108 130 LYS H H 8.505 0.025 1 1042 108 130 LYS HA H 5.139 0.025 1 1043 108 130 LYS HB2 H 1.612 0.025 2 1044 108 130 LYS HB3 H 1.300 0.025 2 1045 108 130 LYS HG2 H 2.166 0.025 2 1046 108 130 LYS HG3 H 0.925 0.025 2 1047 108 130 LYS HE2 H 2.739 0.025 2 1048 108 130 LYS HE3 H 2.552 0.025 2 1049 108 130 LYS C C 172.455 0.16 1 1050 108 130 LYS CA C 53.185 0.16 1 1051 108 130 LYS CB C 31.683 0.16 1 1052 108 130 LYS CG C 21.452 0.16 1 1053 108 130 LYS CE C 37.652 0.16 1 1054 108 130 LYS N N 126.686 0.12 1 1055 109 131 LYS H H 9.395 0.025 1 1056 109 131 LYS HA H 4.726 0.025 1 1057 109 131 LYS HB2 H 1.575 0.025 2 1058 109 131 LYS HB3 H 1.695 0.025 2 1059 109 131 LYS HG3 H 1.341 0.025 2 1060 109 131 LYS C C 171.583 0.16 1 1061 109 131 LYS CA C 51.355 0.16 1 1062 109 131 LYS CB C 33.014 0.16 1 1063 109 131 LYS CG C 22.162 0.16 1 1064 109 131 LYS N N 128.275 0.12 1 1065 110 132 SER H H 8.617 0.025 1 1066 110 132 SER HA H 5.465 0.025 1 1067 110 132 SER HB2 H 3.592 0.025 2 1068 110 132 SER HB3 H 3.657 0.025 2 1069 110 132 SER C C 171.012 0.16 1 1070 110 132 SER CA C 54.022 0.16 1 1071 110 132 SER CB C 61.147 0.16 1 1072 110 132 SER N N 120.253 0.12 1 1073 111 133 LEU H H 9.370 0.025 1 1074 111 133 LEU HA H 4.527 0.025 1 1075 111 133 LEU HB2 H 1.429 0.025 2 1076 111 133 LEU HB3 H 0.972 0.025 2 1077 111 133 LEU HD1 H 0.999 0.025 2 1078 111 133 LEU C C 171.412 0.16 1 1079 111 133 LEU CA C 51.477 0.16 1 1080 111 133 LEU CB C 43.664 0.16 1 1081 111 133 LEU CD1 C 25.145 0.16 2 1082 111 133 LEU CD2 C 20.675 0.16 2 1083 111 133 LEU N N 127.531 0.12 1 1084 112 134 VAL H H 7.991 0.025 1 1085 112 134 VAL HA H 4.536 0.025 1 1086 112 134 VAL HB H 1.612 0.025 1 1087 112 134 VAL HG2 H 0.708 0.025 2 1088 112 134 VAL C C 171.827 0.16 1 1089 112 134 VAL CA C 57.996 0.16 1 1090 112 134 VAL CB C 31.326 0.16 1 1091 112 134 VAL CG2 C 18.551 0.16 2 1092 112 134 VAL N N 121.823 0.12 1 1093 113 135 PHE H H 8.427 0.025 1 1094 113 135 PHE HA H 4.767 0.025 1 1095 113 135 PHE HB2 H 1.764 0.025 2 1096 113 135 PHE HB3 H 2.397 0.025 2 1097 113 135 PHE HD1 H 6.480 0.025 3 1098 113 135 PHE HD2 H 6.480 0.025 3 1099 113 135 PHE HE1 H 6.579 0.025 3 1100 113 135 PHE HE2 H 6.579 0.025 3 1101 113 135 PHE C C 170.917 0.16 1 1102 113 135 PHE CA C 52.889 0.16 1 1103 113 135 PHE CB C 37.904 0.16 1 1104 113 135 PHE CD1 C 127.399 0.16 3 1105 113 135 PHE CD2 C 127.399 0.16 3 1106 113 135 PHE CE1 C 126.021 0.16 3 1107 113 135 PHE CE2 C 126.021 0.16 3 1108 113 135 PHE N N 125.677 0.12 1 1109 114 136 ARG H H 8.540 0.025 1 1110 114 136 ARG HA H 4.584 0.025 1 1111 114 136 ARG HB2 H 1.676 0.025 2 1112 114 136 ARG HG2 H 1.843 0.025 2 1113 114 136 ARG HG3 H 1.843 0.025 2 1114 114 136 ARG HD2 H 3.113 0.025 2 1115 114 136 ARG HD3 H 3.113 0.025 2 1116 114 136 ARG CA C 52.480 0.16 1 1117 114 136 ARG CB C 30.232 0.16 1 1118 114 136 ARG CG C 27.202 0.16 1 1119 114 136 ARG CD C 40.633 0.16 1 1120 114 136 ARG N N 119.306 0.12 1 1121 115 137 ASP H H 8.558 0.025 1 1122 115 137 ASP HA H 4.632 0.025 1 1123 115 137 ASP HB2 H 2.402 0.025 2 1124 115 137 ASP HB3 H 2.768 0.025 2 1125 115 137 ASP CB C 37.529 0.16 1 1126 115 137 ASP N N 121.897 0.12 1 1127 117 139 LYS HA H 5.152 0.025 1 1128 117 139 LYS HB2 H 1.604 0.025 2 1129 117 139 LYS HB3 H 1.532 0.025 2 1130 117 139 LYS HG2 H 1.406 0.025 2 1131 117 139 LYS HG3 H 1.406 0.025 2 1132 117 139 LYS HD2 H 1.471 0.025 2 1133 117 139 LYS HD3 H 1.471 0.025 2 1134 117 139 LYS HE2 H 2.714 0.025 2 1135 117 139 LYS HE3 H 2.840 0.025 2 1136 117 139 LYS CA C 53.284 0.16 1 1137 117 139 LYS CB C 31.774 0.16 1 1138 117 139 LYS CG C 25.028 0.16 1 1139 117 139 LYS CD C 26.688 0.16 1 1140 117 139 LYS CE C 38.976 0.16 1 1141 119 141 ILE H H 8.119 0.025 1 1142 119 141 ILE HA H 4.070 0.025 1 1143 119 141 ILE HB H 1.755 0.025 1 1144 119 141 ILE HG12 H 1.129 0.025 2 1145 119 141 ILE HG13 H 1.411 0.025 2 1146 119 141 ILE HD1 H 0.803 0.025 1 1147 119 141 ILE CA C 58.926 0.16 1 1148 119 141 ILE CB C 36.344 0.16 1 1149 119 141 ILE CG1 C 25.040 0.16 1 1150 119 141 ILE CD1 C 18.221 0.16 1 1151 119 141 ILE N N 120.797 0.12 1 1152 120 142 SER H H 8.316 0.025 1 1153 120 142 SER HA H 4.590 0.025 1 1154 120 142 SER HB2 H 3.922 0.025 2 1155 120 142 SER HB3 H 3.736 0.025 2 1156 120 142 SER C C 172.077 0.16 1 1157 120 142 SER CA C 54.841 0.16 1 1158 120 142 SER CB C 61.691 0.16 1 1159 120 142 SER N N 112.509 0.12 1 1160 121 143 THR H H 8.325 0.025 1 1161 121 143 THR HA H 4.261 0.025 1 1162 121 143 THR HB H 4.245 0.025 1 1163 121 143 THR HG2 H 1.115 0.025 1 1164 121 143 THR C C 171.509 0.16 1 1165 121 143 THR CA C 59.419 0.16 1 1166 121 143 THR CB C 66.862 0.16 1 1167 121 143 THR CG2 C 19.286 0.16 1 1168 121 143 THR N N 115.971 0.12 1 1169 122 144 ASP H H 8.278 0.025 1 1170 122 144 ASP HA H 4.713 0.025 1 1171 122 144 ASP HB2 H 2.512 0.025 2 1172 122 144 ASP HB3 H 2.642 0.025 2 1173 122 144 ASP C C 172.747 0.16 1 1174 122 144 ASP CA C 51.269 0.16 1 1175 122 144 ASP CB C 38.583 0.16 1 1176 122 144 ASP N N 121.769 0.12 1 1177 123 145 ASP H H 8.177 0.025 1 1178 123 145 ASP HA H 4.711 0.025 1 1179 123 145 ASP HB2 H 2.643 0.025 2 1180 123 145 ASP HB3 H 2.757 0.025 2 1181 123 145 ASP CA C 41.877 0.16 1 1182 123 145 ASP CB C 38.536 0.16 1 1183 123 145 ASP N N 120.734 0.12 1 1184 124 146 LEU H H 8.376 0.025 1 1185 124 146 LEU HA H 4.425 0.025 1 1186 124 146 LEU HB2 H 1.901 0.025 2 1187 124 146 LEU HB3 H 1.353 0.025 2 1188 124 146 LEU HD1 H 0.640 0.025 2 1189 124 146 LEU HD2 H 0.801 0.025 2 1190 124 146 LEU C C 172.426 0.16 1 1191 124 146 LEU CA C 52.690 0.16 1 1192 124 146 LEU CB C 40.635 0.16 1 1193 124 146 LEU CD1 C 23.933 0.16 2 1194 124 146 LEU CD2 C 21.172 0.16 2 1195 124 146 LEU N N 108.038 0.12 1 1196 125 147 ASN H H 8.984 0.025 1 1197 125 147 ASN HA H 4.832 0.025 1 1198 125 147 ASN HB2 H 2.753 0.025 2 1199 125 147 ASN HB3 H 2.569 0.025 2 1200 125 147 ASN HD21 H 6.694 0.025 2 1201 125 147 ASN HD22 H 7.584 0.025 2 1202 125 147 ASN C C 170.187 0.16 1 1203 125 147 ASN CA C 51.215 0.16 1 1204 125 147 ASN CB C 36.291 0.16 1 1205 125 147 ASN N N 126.280 0.12 1 1206 125 147 ASN ND2 N 112.161 0.12 1 1207 126 148 LEU H H 8.999 0.025 1 1208 126 148 LEU HA H 4.591 0.025 1 1209 126 148 LEU HB2 H 1.665 0.025 2 1210 126 148 LEU HB3 H 1.784 0.025 2 1211 126 148 LEU HG H 1.520 0.025 1 1212 126 148 LEU HD1 H 0.800 0.025 2 1213 126 148 LEU HD2 H 0.792 0.025 2 1214 126 148 LEU C C 173.698 0.16 1 1215 126 148 LEU CA C 50.989 0.16 1 1216 126 148 LEU CB C 40.272 0.16 1 1217 126 148 LEU CG C 24.171 0.16 1 1218 126 148 LEU CD1 C 19.592 0.16 2 1219 126 148 LEU CD2 C 22.862 0.16 2 1220 126 148 LEU N N 124.014 0.12 1 1221 127 149 TYR H H 7.817 0.025 1 1222 127 149 TYR HA H 4.752 0.025 1 1223 127 149 TYR HB2 H 2.776 0.025 2 1224 127 149 TYR HB3 H 2.407 0.025 2 1225 127 149 TYR HD1 H 6.786 0.025 3 1226 127 149 TYR HD2 H 6.786 0.025 3 1227 127 149 TYR HE1 H 6.535 0.025 3 1228 127 149 TYR HE2 H 6.535 0.025 3 1229 127 149 TYR C C 169.404 0.16 1 1230 127 149 TYR CA C 55.523 0.16 1 1231 127 149 TYR CB C 38.880 0.16 1 1232 127 149 TYR CD1 C 128.591 0.16 3 1233 127 149 TYR CD2 C 128.591 0.16 3 1234 127 149 TYR CE1 C 112.954 0.16 3 1235 127 149 TYR CE2 C 112.954 0.16 3 1236 127 149 TYR N N 124.522 0.12 1 1237 128 150 TYR H H 8.418 0.025 1 1238 128 150 TYR HA H 4.428 0.025 1 1239 128 150 TYR HB2 H 2.352 0.025 2 1240 128 150 TYR HB3 H 3.297 0.025 2 1241 128 150 TYR HD1 H 7.001 0.025 3 1242 128 150 TYR HD2 H 7.001 0.025 3 1243 128 150 TYR HE1 H 6.553 0.025 3 1244 128 150 TYR HE2 H 6.553 0.025 3 1245 128 150 TYR C C 169.995 0.16 1 1246 128 150 TYR CA C 54.279 0.16 1 1247 128 150 TYR CB C 39.402 0.16 1 1248 128 150 TYR CD1 C 129.518 0.16 3 1249 128 150 TYR CD2 C 129.518 0.16 3 1250 128 150 TYR CE1 C 113.304 0.16 3 1251 128 150 TYR CE2 C 113.266 0.16 3 1252 128 150 TYR N N 126.455 0.12 1 1253 129 151 ASN H H 7.800 0.025 1 1254 129 151 ASN HA H 4.426 0.025 1 1255 129 151 ASN HB2 H 2.724 0.025 2 1256 129 151 ASN HB3 H 3.113 0.025 2 1257 129 151 ASN HD21 H 7.319 0.025 2 1258 129 151 ASN HD22 H 6.716 0.025 2 1259 129 151 ASN CA C 50.920 0.16 1 1260 129 151 ASN CB C 37.633 0.16 1 1261 129 151 ASN N N 123.763 0.12 1 1262 129 151 ASN ND2 N 110.732 0.12 1 stop_ save_