data_17960 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; Complete 1H, 13C and 15N assignments of the kinetochore localisation domain of BUBR1 bound to a Blinkin motif ; _BMRB_accession_number 17960 _BMRB_flat_file_name bmr17960.str _Entry_type original _Submission_date 2011-09-26 _Accession_date 2011-09-26 _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 Simpson Peter J. . 2 Blundell Tom L. . 3 Cota-Segura Ernesto . . 4 Bolanos-Garcia Victor M. . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 903 "13C chemical shifts" 715 "15N chemical shifts" 162 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2014-02-26 update BMRB 'update entry citation' 2011-11-21 original author 'original release' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title 'Structure of a Blinkin-BUBR1 complex reveals an interaction crucial for kinetochore-mitotic checkpoint regulation via an unanticipated binding Site.' _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code . _PubMed_ID 22000412 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Bolanos-Garcia Victor M. . 2 Lischetti Tiziana . . 3 Matak-Vinkovic Dijana . . 4 Cota Ernesto . . 5 Simpson Pete J. . 6 Chirgadze Dimitri Y. . 7 Spring David R. . 8 Robinson Carol V. . 9 Nilsson Jakob . . 10 Blundell Tom L. . stop_ _Journal_abbreviation Structure _Journal_name_full 'Structure (London, England : 1993)' _Journal_volume 19 _Journal_issue 11 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 1691 _Page_last 1700 _Year 2011 _Details . save_ ################################## # Molecular system description # ################################## save_assembly _Saveframe_category molecular_system _Mol_system_name 'Bubr1N Blinkin complex' _Enzyme_commission_number . loop_ _Mol_system_component_name _Mol_label 'Bubr1 N domain' $Bubr1N 'Blinkin residues 212-226' $Blinkin_peptide 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_Bubr1N _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Bubr1N _Molecular_mass 19844.2 _Mol_thiol_state 'all free' loop_ _Biological_function 'Region of the Ser/Thr kinase Bubr1 responsible for localisation to the kinetochore' stop_ _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 167 _Mol_residue_sequence ; GPLQQKRAFEYEIRFYTGND PLDVWDRYISWTEQNYPQGG KESNMSTLLERAVEALQGEK RYYSDPRFLNLWLKLGRLCN EPLDMYSYLHNQGIGVSLAQ FYISWAEEYEARENFRKADA IFQEGIQQKAEPLERLQSQH RQFQARVSRQTLLALEKEEE EEVFESS ; loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 GLY 2 2 PRO 3 3 LEU 4 4 GLN 5 5 GLN 6 6 LYS 7 7 ARG 8 8 ALA 9 9 PHE 10 10 GLU 11 11 TYR 12 12 GLU 13 13 ILE 14 14 ARG 15 15 PHE 16 16 TYR 17 17 THR 18 18 GLY 19 19 ASN 20 20 ASP 21 21 PRO 22 22 LEU 23 23 ASP 24 24 VAL 25 25 TRP 26 26 ASP 27 27 ARG 28 28 TYR 29 29 ILE 30 30 SER 31 31 TRP 32 32 THR 33 33 GLU 34 34 GLN 35 35 ASN 36 36 TYR 37 37 PRO 38 38 GLN 39 39 GLY 40 40 GLY 41 41 LYS 42 42 GLU 43 43 SER 44 44 ASN 45 45 MET 46 46 SER 47 47 THR 48 48 LEU 49 49 LEU 50 50 GLU 51 51 ARG 52 52 ALA 53 53 VAL 54 54 GLU 55 55 ALA 56 56 LEU 57 57 GLN 58 58 GLY 59 59 GLU 60 60 LYS 61 61 ARG 62 62 TYR 63 63 TYR 64 64 SER 65 65 ASP 66 66 PRO 67 67 ARG 68 68 PHE 69 69 LEU 70 70 ASN 71 71 LEU 72 72 TRP 73 73 LEU 74 74 LYS 75 75 LEU 76 76 GLY 77 77 ARG 78 78 LEU 79 79 CYS 80 80 ASN 81 81 GLU 82 82 PRO 83 83 LEU 84 84 ASP 85 85 MET 86 86 TYR 87 87 SER 88 88 TYR 89 89 LEU 90 90 HIS 91 91 ASN 92 92 GLN 93 93 GLY 94 94 ILE 95 95 GLY 96 96 VAL 97 97 SER 98 98 LEU 99 99 ALA 100 100 GLN 101 101 PHE 102 102 TYR 103 103 ILE 104 104 SER 105 105 TRP 106 106 ALA 107 107 GLU 108 108 GLU 109 109 TYR 110 110 GLU 111 111 ALA 112 112 ARG 113 113 GLU 114 114 ASN 115 115 PHE 116 116 ARG 117 117 LYS 118 118 ALA 119 119 ASP 120 120 ALA 121 121 ILE 122 122 PHE 123 123 GLN 124 124 GLU 125 125 GLY 126 126 ILE 127 127 GLN 128 128 GLN 129 129 LYS 130 130 ALA 131 131 GLU 132 132 PRO 133 133 LEU 134 134 GLU 135 135 ARG 136 136 LEU 137 137 GLN 138 138 SER 139 139 GLN 140 140 HIS 141 141 ARG 142 142 GLN 143 143 PHE 144 144 GLN 145 145 ALA 146 146 ARG 147 147 VAL 148 148 SER 149 149 ARG 150 150 GLN 151 151 THR 152 152 LEU 153 153 LEU 154 154 ALA 155 155 LEU 156 156 GLU 157 157 LYS 158 158 GLU 159 159 GLU 160 160 GLU 161 161 GLU 162 162 GLU 163 163 VAL 164 164 PHE 165 165 GLU 166 166 SER 167 167 SER stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-06-03 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 2WVI "Crystal Structure Of The N-Terminal Domain Of Bubr1" 98.20 164 100.00 100.00 5.20e-115 PDB 3SI5 "Kinetochore-Bubr1 Kinase Complex" 98.20 176 100.00 100.00 1.59e-115 DBJ BAD92019 "Mitotic checkpoint serine/threonine-protein kinase BUB1 beta variant [Homo sapiens]" 98.20 1091 100.00 100.00 1.95e-107 DBJ BAG10575 "mitotic checkpoint serine/threonine-protein kinase BUB1 beta [synthetic construct]" 98.20 1050 100.00 100.00 1.45e-107 DBJ BAG35587 "unnamed protein product [Homo sapiens]" 98.20 1050 100.00 100.00 1.36e-107 GB AAC06260 "mitotic checkpoint kinase Mad3L [Homo sapiens]" 98.20 1050 100.00 100.00 1.48e-107 GB AAC12730 "similar to protein kinase [Homo sapiens]" 98.20 1050 100.00 100.00 1.45e-107 GB AAC19118 "MAD3-like protein kinase [Homo sapiens]" 98.20 1050 100.00 100.00 1.45e-107 GB AAC23736 "protein kinase [Homo sapiens]" 98.20 1050 100.00 100.00 1.66e-107 GB AAC33435 "mitotic checkpoint protein kinase Bub1A [Homo sapiens]" 98.20 1050 100.00 100.00 1.15e-107 REF NP_001202 "mitotic checkpoint serine/threonine-protein kinase BUB1 beta [Homo sapiens]" 98.20 1050 100.00 100.00 1.45e-107 REF XP_002753645 "PREDICTED: mitotic checkpoint serine/threonine-protein kinase BUB1 beta [Callithrix jacchus]" 98.20 1058 98.17 98.78 1.63e-105 REF XP_002804771 "PREDICTED: mitotic checkpoint serine/threonine-protein kinase BUB1 beta-like [Macaca mulatta]" 98.20 1054 98.78 99.39 8.15e-106 REF XP_002825334 "PREDICTED: mitotic checkpoint serine/threonine-protein kinase BUB1 beta isoform X2 [Pongo abelii]" 98.20 1050 100.00 100.00 1.14e-107 REF XP_003266770 "PREDICTED: mitotic checkpoint serine/threonine-protein kinase BUB1 beta [Nomascus leucogenys]" 98.20 1050 100.00 100.00 1.05e-107 SP O60566 "RecName: Full=Mitotic checkpoint serine/threonine-protein kinase BUB1 beta; AltName: Full=MAD3/BUB1-related protein kinase; Sho" 98.20 1050 100.00 100.00 1.45e-107 stop_ save_ save_Blinkin_peptide _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common Blinkin_peptide _Molecular_mass 1826.2 _Mol_thiol_state 'not present' loop_ _Biological_function 'Region of Blinkin protein which binds Bubr1 N domain' stop_ _Details . _Residue_count 15 _Mol_residue_sequence KIDFNDFIKRLKTGK loop_ _Residue_seq_code _Residue_author_seq_code _Residue_label 1 1 LYS 2 2 ILE 3 3 ASP 4 4 PHE 5 5 ASN 6 6 ASP 7 7 PHE 8 8 ILE 9 9 LYS 10 10 ARG 11 11 LEU 12 12 LYS 13 13 THR 14 14 GLY 15 15 LYS stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-30 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 3SI5 "Kinetochore-Bubr1 Kinase Complex" 100.00 24 100.00 100.00 2.30e+00 DBJ BAC05691 "D40 [Homo sapiens]" 100.00 1746 100.00 100.00 3.88e+00 GB AAF97513 "AF15q14 protein [Homo sapiens]" 100.00 1833 100.00 100.00 4.65e+00 GB AAH29373 "CASC5 protein, partial [Homo sapiens]" 100.00 422 100.00 100.00 4.50e+00 GB AAI72422 "Cancer susceptibility candidate 5 [synthetic construct]" 100.00 2342 100.00 100.00 5.03e+00 GB AAL67803 "AF15q14 isoform 2 [Homo sapiens]" 100.00 2316 100.00 100.00 5.57e+00 GB AAM45143 "AF15q14 [Homo sapiens]" 100.00 2342 100.00 100.00 5.03e+00 REF NP_653091 "protein CASC5 isoform 2 [Homo sapiens]" 100.00 2316 100.00 100.00 5.57e+00 REF NP_733468 "protein CASC5 isoform 1 [Homo sapiens]" 100.00 2342 100.00 100.00 5.03e+00 REF XP_004056050 "PREDICTED: protein CASC5 [Gorilla gorilla gorilla]" 100.00 2197 100.00 100.00 4.48e+00 REF XP_008950270 "PREDICTED: protein CASC5 [Pan paniscus]" 100.00 2280 100.00 100.00 5.89e+00 REF XP_009247989 "PREDICTED: LOW QUALITY PROTEIN: protein CASC5 [Pongo abelii]" 100.00 2275 100.00 100.00 6.23e+00 SP Q8NG31 "RecName: Full=Protein CASC5; AltName: Full=ALL1-fused gene from chromosome 15q14 protein; Short=AF15q14; AltName: Full=Bub-link" 100.00 2342 100.00 100.00 5.03e+00 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species $Bubr1N humans 9606 Eukaryota Metazoa Homo sapiens 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 $Bubr1N 'recombinant technology' . Escherichia coli . pGEX 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 $Bubr1N 0.25 mM '[U-100% 13C; U-100% 15N]' $Blinkin_peptide 0.4 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' TSP 0.1 mM 'natural abundance' TCEP 1 mM 'natural abundance' H2O 90 % 'natural abundance' D2O 10 % 'natural abundance' stop_ save_ save_sample_d2o _Saveframe_category sample _Sample_type solution _Details . loop_ _Mol_label _Concentration_value _Concentration_value_units _Isotopic_labeling $Bubr1N 0.25 mM '[U-100% 13C; U-100% 15N]' $Blinkin_peptide 0.4 mM 'natural abundance' 'sodium chloride' 200 mM 'natural abundance' 'sodium phosphate' 50 mM 'natural abundance' 'sodium azide' 1 mM 'natural abundance' TSP 0.1 mM 'natural abundance' TCEP 1 mM 'natural abundance' D2O 100 % 'natural abundance' stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Saveframe_category software _Name TOPSPIN _Version 3.0 loop_ _Vendor _Address _Electronic_address 'Bruker Biospin' . http://www.bruker.de stop_ loop_ _Task collection stop_ _Details . save_ save_NMRView _Saveframe_category software _Name NMRView _Version 5.2.2_01 loop_ _Vendor _Address _Electronic_address 'Johnson, One Moon Scientific' . http://www.onemoonscientific.com/ stop_ loop_ _Task 'data analysis' stop_ _Details . save_ save_NMRPipe _Saveframe_category software _Name NMRPipe _Version '2010 release' loop_ _Vendor _Address _Electronic_address 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . http://www.nmrscience.com stop_ loop_ _Task processing stop_ _Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 600 _Details 'AvanceIII with TCi cryoprobe' save_ save_spectrometer_2 _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model Avance _Field_strength 800 _Details 'Avance II with TXI cryoprobe' save_ ############################# # NMR applied experiments # ############################# save_2D_1H-15N_HSQC_1 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-15N HSQC' _Sample_label $sample_1 save_ save_3D_HNCACB_2 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCACB' _Sample_label $sample_1 save_ save_3D_CBCA(CO)NH_3 _Saveframe_category NMR_applied_experiment _Experiment_name '3D CBCA(CO)NH' _Sample_label $sample_1 save_ save_3D_HNCO_4 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HNCO' _Sample_label $sample_1 save_ save_3D_HN(CA)CO_5 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HN(CA)CO' _Sample_label $sample_1 save_ save_3D_HBHA(CO)NH_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HBHA(CO)NH' _Sample_label $sample_1 save_ save_3D_H(C)CH-TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(C)CH-TOCSY' _Sample_label $sample_d2o save_ save_3D_(H)CCH-TOCSY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '3D (H)CCH-TOCSY' _Sample_label $sample_d2o save_ save_3D_H(CCO)NH_9 _Saveframe_category NMR_applied_experiment _Experiment_name '3D H(CCO)NH' _Sample_label $sample_1 save_ save_3D_C(CO)NH_10 _Saveframe_category NMR_applied_experiment _Experiment_name '3D C(CO)NH' _Sample_label $sample_1 save_ save_2D_1H-13C_HSQC_aliphatic_11 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aliphatic' _Sample_label $sample_d2o save_ save_2D_1H-13C_HSQC_aromatic_12 _Saveframe_category NMR_applied_experiment _Experiment_name '2D 1H-13C HSQC aromatic' _Sample_label $sample_d2o save_ save_3D_1H-15N_NOESY_13 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-15N NOESY' _Sample_label $sample_1 save_ save_3D_1H-13C_NOESY_14 _Saveframe_category NMR_applied_experiment _Experiment_name '3D 1H-13C NOESY' _Sample_label $sample_d2o 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' 0.5 0.05 M pH 7 0.2 pH pressure 1 . atm temperature 310 1 K stop_ save_ save_sample_conditions_2 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.5 0.05 M pH 7 0.2 pH pressure 1 . atm temperature 303 1 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 TSP C 13 'methyl protons' ppm 0.0 internal indirect . . . 0.251449530 TSP H 1 'methyl protons' ppm 0.0 internal direct . . . 1 TSP N 15 'methyl protons' ppm 0.0 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_assignments_bubr1_nv _Saveframe_category assigned_chemical_shifts _Details . loop_ _Experiment_label '2D 1H-15N HSQC' '3D HNCACB' '3D CBCA(CO)NH' '3D HNCO' '3D HN(CA)CO' '3D HBHA(CO)NH' '3D H(C)CH-TOCSY' '3D (H)CCH-TOCSY' '3D H(CCO)NH' '3D C(CO)NH' '2D 1H-13C HSQC aliphatic' '2D 1H-13C HSQC aromatic' '3D 1H-15N NOESY' '3D 1H-13C NOESY' stop_ loop_ _Sample_label $sample_1 $sample_d2o stop_ _Sample_conditions_label $sample_conditions_1 _Chem_shift_reference_set_label $chemical_shift_reference_1 _Mol_system_component_name 'Bubr1 N domain' _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 4 4 GLN CA C 58.098 0.5 1 2 4 4 GLN HA H 4.158 0.03 1 3 4 4 GLN CB C 28.462 0.5 1 4 4 4 GLN HB2 H 2.155 0.03 2 5 4 4 GLN HB3 H 2.145 0.03 2 6 4 4 GLN CG C 33.853 0.5 1 7 4 4 GLN HG2 H 2.400 0.03 2 8 4 4 GLN C C 177.745 0.5 1 9 5 5 GLN N N 120.138 0.3 1 10 5 5 GLN H H 8.095 0.03 1 11 5 5 GLN CA C 58.019 0.5 1 12 5 5 GLN HA H 3.809 0.03 1 13 5 5 GLN CB C 28.226 0.5 1 14 5 5 GLN HB2 H 1.536 0.03 2 15 5 5 GLN HB3 H 1.945 0.03 2 16 5 5 GLN CG C 33.853 0.5 1 17 5 5 GLN HG2 H 1.850 0.03 2 18 5 5 GLN HG3 H 1.906 0.03 2 19 5 5 GLN C C 177.222 0.5 1 20 6 6 LYS N N 120.444 0.3 1 21 6 6 LYS H H 7.905 0.03 1 22 6 6 LYS CA C 60.699 0.5 1 23 6 6 LYS HA H 3.790 0.03 1 24 6 6 LYS CB C 32.639 0.5 1 25 6 6 LYS HB2 H 2.090 0.03 2 26 6 6 LYS HB3 H 2.155 0.03 2 27 6 6 LYS CG C 25.531 0.5 1 28 6 6 LYS HG2 H 2.000 0.03 2 29 6 6 LYS HG3 H 1.670 0.03 2 30 6 6 LYS CD C 29.810 0.5 1 31 6 6 LYS HD2 H 1.990 0.03 2 32 6 6 LYS HD3 H 1.990 0.03 2 33 6 6 LYS CE C 42.372 0.5 1 34 6 6 LYS HE2 H 3.255 0.03 2 35 6 6 LYS HE3 H 3.255 0.03 2 36 6 6 LYS C C 177.799 0.5 1 37 7 7 ARG N N 116.598 0.3 1 38 7 7 ARG H H 7.661 0.03 1 39 7 7 ARG CA C 59.517 0.5 1 40 7 7 ARG HA H 3.909 0.03 1 41 7 7 ARG CB C 29.802 0.5 1 42 7 7 ARG HB2 H 1.825 0.03 2 43 7 7 ARG HB3 H 1.856 0.03 2 44 7 7 ARG CD C 43.514 0.5 1 45 7 7 ARG HD2 H 3.195 0.03 2 46 7 7 ARG HD3 H 3.199 0.03 2 47 7 7 ARG C C 178.610 0.5 1 48 8 8 ALA N N 122.084 0.3 1 49 8 8 ALA H H 7.568 0.03 1 50 8 8 ALA CA C 55.024 0.5 1 51 8 8 ALA HA H 4.065 0.03 1 52 8 8 ALA CB C 17.585 0.5 1 53 8 8 ALA HB H 1.168 0.03 1 54 8 8 ALA C C 180.844 0.5 1 55 9 9 PHE N N 118.829 0.3 1 56 9 9 PHE H H 7.614 0.03 1 57 9 9 PHE CA C 62.275 0.5 1 58 9 9 PHE HA H 3.980 0.03 1 59 9 9 PHE CB C 37.290 0.5 1 60 9 9 PHE HB2 H 1.506 0.03 2 61 9 9 PHE HB3 H 1.944 0.03 2 62 9 9 PHE CD1 C 131.700 0.5 3 63 9 9 PHE HD1 H 6.610 0.03 3 64 9 9 PHE CE1 C 131.500 0.5 3 65 9 9 PHE HE1 H 6.750 0.03 3 66 9 9 PHE CE2 C 131.500 0.5 3 67 9 9 PHE HE2 H 6.750 0.03 3 68 9 9 PHE HD2 H 6.610 0.03 3 69 9 9 PHE C C 177.637 0.5 1 70 10 10 GLU N N 116.165 0.3 1 71 10 10 GLU H H 7.857 0.03 1 72 10 10 GLU CA C 59.201 0.5 1 73 10 10 GLU HA H 3.786 0.03 1 74 10 10 GLU CB C 28.147 0.5 1 75 10 10 GLU C C 179.745 0.5 1 76 11 11 TYR N N 121.334 0.3 1 77 11 11 TYR H H 8.143 0.03 1 78 11 11 TYR CA C 61.881 0.5 1 79 11 11 TYR HA H 4.160 0.03 1 80 11 11 TYR CB C 38.393 0.5 1 81 11 11 TYR HB2 H 3.175 0.03 2 82 11 11 TYR HB3 H 3.146 0.03 2 83 11 11 TYR CD1 C 132.800 0.5 3 84 11 11 TYR HD1 H 7.120 0.03 3 85 11 11 TYR CE1 C 118.500 0.5 3 86 11 11 TYR HE1 H 6.680 0.03 3 87 11 11 TYR CE2 C 118.500 0.5 3 88 11 11 TYR HE2 H 6.680 0.03 3 89 11 11 TYR CD2 C 132.800 0.5 3 90 11 11 TYR HD2 H 7.120 0.03 3 91 11 11 TYR C C 176.682 0.5 1 92 12 12 GLU N N 120.750 0.3 1 93 12 12 GLU H H 8.076 0.03 1 94 12 12 GLU CA C 59.753 0.5 1 95 12 12 GLU HA H 3.969 0.03 1 96 12 12 GLU CB C 29.723 0.5 1 97 12 12 GLU HB2 H 2.094 0.03 2 98 12 12 GLU HB3 H 2.135 0.03 2 99 12 12 GLU CG C 37.040 0.5 1 100 12 12 GLU HG2 H 2.520 0.03 2 101 12 12 GLU HG3 H 2.304 0.03 2 102 12 12 GLU C C 178.466 0.5 1 103 13 13 ILE N N 115.492 0.3 1 104 13 13 ILE H H 7.903 0.03 1 105 13 13 ILE CA C 64.876 0.5 1 106 13 13 ILE HA H 3.371 0.03 1 107 13 13 ILE CB C 38.551 0.5 1 108 13 13 ILE HB H 1.487 0.03 1 109 13 13 ILE CG1 C 29.263 0.5 1 110 13 13 ILE HG12 H -0.010 0.03 1 111 13 13 ILE HG13 H 1.219 0.03 1 112 13 13 ILE CD1 C 12.878 0.5 1 113 13 13 ILE HD1 H -0.215 0.03 1 114 13 13 ILE CG2 C 17.247 0.5 1 115 13 13 ILE HG2 H 0.610 0.03 1 116 13 13 ILE C C 178.412 0.5 1 117 14 14 ARG N N 118.587 0.3 1 118 14 14 ARG H H 7.367 0.03 1 119 14 14 ARG CA C 58.650 0.5 1 120 14 14 ARG HA H 3.899 0.03 1 121 14 14 ARG CB C 30.354 0.5 1 122 14 14 ARG HB2 H 1.308 0.03 2 123 14 14 ARG HB3 H 1.567 0.03 2 124 14 14 ARG CG C 26.806 0.5 1 125 14 14 ARG HG2 H 0.839 0.03 2 126 14 14 ARG HG3 H 1.157 0.03 2 127 14 14 ARG CD C 43.282 0.5 1 128 14 14 ARG HD2 H 2.957 0.03 2 129 14 14 ARG HD3 H 2.907 0.03 2 130 14 14 ARG C C 177.619 0.5 1 131 15 15 PHE N N 115.743 0.3 1 132 15 15 PHE H H 7.867 0.03 1 133 15 15 PHE CA C 57.546 0.5 1 134 15 15 PHE HA H 4.730 0.03 1 135 15 15 PHE CB C 38.236 0.5 1 136 15 15 PHE HB2 H 2.354 0.03 2 137 15 15 PHE HB3 H 3.301 0.03 2 138 15 15 PHE CD1 C 132.200 0.5 3 139 15 15 PHE HD1 H 6.910 0.03 3 140 15 15 PHE CD2 C 132.200 0.5 3 141 15 15 PHE HD2 H 6.910 0.03 3 142 15 15 PHE C C 175.096 0.5 1 143 16 16 TYR N N 122.362 0.3 1 144 16 16 TYR H H 7.401 0.03 1 145 16 16 TYR CA C 60.620 0.5 1 146 16 16 TYR HA H 4.493 0.03 1 147 16 16 TYR CB C 38.551 0.5 1 148 16 16 TYR HB2 H 2.871 0.03 2 149 16 16 TYR HB3 H 3.800 0.03 2 150 16 16 TYR CD1 C 133.300 0.5 3 151 16 16 TYR HD1 H 7.260 0.03 3 152 16 16 TYR CE1 C 117.900 0.5 3 153 16 16 TYR HE1 H 6.660 0.03 3 154 16 16 TYR CE2 C 117.900 0.5 3 155 16 16 TYR HE2 H 6.660 0.03 3 156 16 16 TYR CD2 C 133.300 0.5 3 157 16 16 TYR HD2 H 7.260 0.03 3 158 16 16 TYR C C 177.493 0.5 1 159 17 17 THR N N 118.035 0.3 1 160 17 17 THR H H 8.195 0.03 1 161 17 17 THR CA C 60.578 0.5 1 162 17 17 THR HA H 4.507 0.03 1 163 17 17 THR CB C 69.863 0.5 1 164 17 17 THR HB H 4.447 0.03 1 165 17 17 THR CG2 C 21.071 0.5 1 166 17 17 THR HG2 H 1.246 0.03 1 167 17 17 THR C C 174.483 0.5 1 168 18 18 GLY N N 107.748 0.3 1 169 18 18 GLY H H 5.479 0.03 1 170 18 18 GLY CA C 44.935 0.5 1 171 18 18 GLY HA2 H 3.620 0.03 2 172 18 18 GLY HA3 H 4.188 0.03 2 173 18 18 GLY C C 173.168 0.5 1 174 19 19 ASN N N 115.149 0.3 1 175 19 19 ASN H H 8.528 0.03 1 176 19 19 ASN CA C 52.502 0.5 1 177 19 19 ASN HA H 5.154 0.03 1 178 19 19 ASN CB C 39.970 0.5 1 179 19 19 ASN HB2 H 2.962 0.03 2 180 19 19 ASN HB3 H 3.002 0.03 2 181 19 19 ASN C C 175.492 0.5 1 182 20 20 ASP N N 118.687 0.3 1 183 20 20 ASP H H 8.895 0.03 1 184 20 20 ASP CA C 52.108 0.5 1 185 20 20 ASP HA H 5.510 0.03 1 186 20 20 ASP CB C 41.704 0.5 1 187 20 20 ASP HB2 H 2.670 0.03 2 188 20 20 ASP HB3 H 3.020 0.03 2 189 20 20 ASP C C 172.555 0.5 1 190 21 21 PRO CA C 65.270 0.5 1 191 21 21 PRO HA H 3.720 0.03 1 192 21 21 PRO CB C 31.694 0.5 1 193 21 21 PRO HB2 H 2.412 0.03 2 194 21 21 PRO HB3 H 2.090 0.03 2 195 21 21 PRO CG C 27.443 0.5 1 196 21 21 PRO HG2 H 2.360 0.03 2 197 21 21 PRO CD C 50.200 0.5 1 198 21 21 PRO HD2 H 4.350 0.03 2 199 21 21 PRO C C 177.871 0.5 1 200 22 22 LEU N N 116.585 0.3 1 201 22 22 LEU H H 7.498 0.03 1 202 22 22 LEU CA C 57.704 0.5 1 203 22 22 LEU HA H 4.100 0.03 1 204 22 22 LEU CB C 41.546 0.5 1 205 22 22 LEU HB2 H 0.640 0.03 2 206 22 22 LEU HB3 H 1.477 0.03 2 207 22 22 LEU CG C 26.806 0.5 1 208 22 22 LEU HG H 1.207 0.03 1 209 22 22 LEU CD1 C 27.700 0.5 2 210 22 22 LEU HD1 H 0.440 0.03 2 211 22 22 LEU CD2 C 22.982 0.5 2 212 22 22 LEU HD2 H 0.790 0.03 2 213 22 22 LEU C C 176.339 0.5 1 214 23 23 ASP N N 117.419 0.3 1 215 23 23 ASP H H 7.938 0.03 1 216 23 23 ASP CA C 57.783 0.5 1 217 23 23 ASP HA H 4.437 0.03 1 218 23 23 ASP CB C 43.122 0.5 1 219 23 23 ASP HB2 H 2.901 0.03 2 220 23 23 ASP HB3 H 3.090 0.03 2 221 23 23 ASP C C 177.186 0.5 1 222 24 24 VAL N N 115.117 0.3 1 223 24 24 VAL H H 6.857 0.03 1 224 24 24 VAL CA C 65.349 0.5 1 225 24 24 VAL HA H 3.597 0.03 1 226 24 24 VAL CB C 30.984 0.5 1 227 24 24 VAL HB H 1.716 0.03 1 228 24 24 VAL CG2 C 21.981 0.5 2 229 24 24 VAL HG2 H 0.590 0.03 2 230 24 24 VAL CG1 C 21.700 0.5 2 231 24 24 VAL HG1 H 0.570 0.03 2 232 24 24 VAL C C 177.817 0.5 1 233 25 25 TRP N N 118.362 0.3 1 234 25 25 TRP H H 6.925 0.03 1 235 25 25 TRP CA C 61.014 0.5 1 236 25 25 TRP HA H 4.267 0.03 1 237 25 25 TRP CB C 29.723 0.5 1 238 25 25 TRP HB2 H 2.960 0.03 2 239 25 25 TRP HB3 H 3.123 0.03 2 240 25 25 TRP CD1 C 126.700 0.5 1 241 25 25 TRP HD1 H 7.120 0.03 1 242 25 25 TRP NE1 N 128.600 0.3 1 243 25 25 TRP HE1 H 10.500 0.03 1 244 25 25 TRP CZ2 C 115.300 0.5 1 245 25 25 TRP HZ2 H 7.370 0.03 1 246 25 25 TRP CH2 C 121.800 0.5 1 247 25 25 TRP HH2 H 6.920 0.03 1 248 25 25 TRP CZ3 C 124.500 0.5 1 249 25 25 TRP HZ3 H 7.050 0.03 1 250 25 25 TRP CE3 C 119.100 0.5 1 251 25 25 TRP HE3 H 7.350 0.03 1 252 25 25 TRP C C 177.673 0.5 1 253 26 26 ASP N N 118.214 0.3 1 254 26 26 ASP H H 8.924 0.03 1 255 26 26 ASP CA C 58.098 0.5 1 256 26 26 ASP HA H 4.367 0.03 1 257 26 26 ASP CB C 43.438 0.5 1 258 26 26 ASP HB2 H 2.653 0.03 2 259 26 26 ASP HB3 H 2.912 0.03 2 260 26 26 ASP C C 179.024 0.5 1 261 27 27 ARG N N 118.435 0.3 1 262 27 27 ARG H H 8.115 0.03 1 263 27 27 ARG CA C 60.778 0.5 1 264 27 27 ARG HA H 4.100 0.03 1 265 27 27 ARG CB C 31.378 0.5 1 266 27 27 ARG HB3 H 2.220 0.03 2 267 27 27 ARG CD C 43.646 0.5 1 268 27 27 ARG C C 178.934 0.5 1 269 28 28 TYR N N 123.580 0.3 1 270 28 28 TYR H H 8.470 0.03 1 271 28 28 TYR CA C 56.443 0.5 1 272 28 28 TYR HA H 3.261 0.03 1 273 28 28 TYR CB C 38.393 0.5 1 274 28 28 TYR HB2 H 3.120 0.03 2 275 28 28 TYR HB3 H 2.623 0.03 2 276 28 28 TYR CD1 C 131.700 0.5 3 277 28 28 TYR HD1 H 6.670 0.03 3 278 28 28 TYR CE1 C 117.400 0.5 3 279 28 28 TYR HE1 H 6.640 0.03 3 280 28 28 TYR CE2 C 117.400 0.5 3 281 28 28 TYR HE2 H 6.640 0.03 3 282 28 28 TYR CD2 C 131.700 0.5 3 283 28 28 TYR HD2 H 6.670 0.03 3 284 28 28 TYR C C 180.105 0.5 1 285 29 29 ILE N N 123.949 0.3 1 286 29 29 ILE H H 9.079 0.03 1 287 29 29 ILE CA C 65.743 0.5 1 288 29 29 ILE HA H 3.490 0.03 1 289 29 29 ILE CB C 37.132 0.5 1 290 29 29 ILE HB H 2.075 0.03 1 291 29 29 ILE CG1 C 30.629 0.5 1 292 29 29 ILE HG12 H 1.130 0.03 1 293 29 29 ILE HG13 H 1.650 0.03 1 294 29 29 ILE CD1 C 13.697 0.5 1 295 29 29 ILE HD1 H 0.749 0.03 1 296 29 29 ILE CG2 C 17.612 0.5 1 297 29 29 ILE HG2 H 0.789 0.03 1 298 29 29 ILE C C 177.691 0.5 1 299 30 30 SER N N 115.736 0.3 1 300 30 30 SER H H 8.184 0.03 1 301 30 30 SER CA C 62.669 0.5 1 302 30 30 SER CB C 63.773 0.5 1 303 30 30 SER C C 176.826 0.5 1 304 31 31 TRP N N 122.336 0.3 1 305 31 31 TRP H H 8.514 0.03 1 306 31 31 TRP CA C 62.354 0.5 1 307 31 31 TRP HA H 4.188 0.03 1 308 31 31 TRP CB C 29.355 0.5 1 309 31 31 TRP HB2 H 3.577 0.03 2 310 31 31 TRP HB3 H 3.600 0.03 2 311 31 31 TRP CD1 C 127.100 0.5 1 312 31 31 TRP HD1 H 7.510 0.03 1 313 31 31 TRP NE1 N 130.100 0.3 1 314 31 31 TRP HE1 H 10.090 0.03 1 315 31 31 TRP CZ2 C 114.700 0.5 1 316 31 31 TRP HZ2 H 7.580 0.03 1 317 31 31 TRP CH2 C 125.100 0.5 1 318 31 31 TRP HH2 H 7.470 0.03 1 319 31 31 TRP CZ3 C 121.800 0.5 1 320 31 31 TRP HZ3 H 7.420 0.03 1 321 31 31 TRP CE3 C 121.300 0.5 1 322 31 31 TRP HE3 H 7.880 0.03 1 323 31 31 TRP C C 179.096 0.5 1 324 32 32 THR N N 118.963 0.3 1 325 32 32 THR H H 8.527 0.03 1 326 32 32 THR CA C 68.344 0.5 1 327 32 32 THR HA H 3.548 0.03 1 328 32 32 THR CB C 68.423 0.5 1 329 32 32 THR HB H 4.379 0.03 1 330 32 32 THR CG2 C 21.526 0.5 1 331 32 32 THR HG2 H 1.238 0.03 1 332 32 32 THR C C 175.835 0.5 1 333 33 33 GLU N N 120.637 0.3 1 334 33 33 GLU H H 8.315 0.03 1 335 33 33 GLU CA C 59.674 0.5 1 336 33 33 GLU HA H 3.909 0.03 1 337 33 33 GLU CB C 29.960 0.5 1 338 33 33 GLU HB2 H 2.025 0.03 2 339 33 33 GLU HB3 H 2.224 0.03 2 340 33 33 GLU CG C 37.001 0.5 1 341 33 33 GLU HG2 H 2.403 0.03 2 342 33 33 GLU C C 178.249 0.5 1 343 34 34 GLN N N 114.570 0.3 1 344 34 34 GLN H H 7.524 0.03 1 345 34 34 GLN CA C 57.783 0.5 1 346 34 34 GLN HA H 4.088 0.03 1 347 34 34 GLN CB C 29.171 0.5 1 348 34 34 GLN HB2 H 1.994 0.03 2 349 34 34 GLN HB3 H 2.045 0.03 2 350 34 34 GLN CG C 33.906 0.5 1 351 34 34 GLN HG2 H 2.354 0.03 2 352 34 34 GLN HG3 H 2.513 0.03 2 353 34 34 GLN C C 177.186 0.5 1 354 35 35 ASN N N 115.634 0.3 1 355 35 35 ASN H H 7.497 0.03 1 356 35 35 ASN CA C 54.945 0.5 1 357 35 35 ASN HA H 4.284 0.03 1 358 35 35 ASN CB C 40.127 0.5 1 359 35 35 ASN HB2 H 1.359 0.03 2 360 35 35 ASN HB3 H 1.695 0.03 2 361 35 35 ASN ND2 N 114.600 0.3 1 362 35 35 ASN HD21 H 6.450 0.03 2 363 35 35 ASN HD22 H 6.180 0.03 2 364 35 35 ASN C C 173.762 0.5 1 365 36 36 TYR N N 118.192 0.3 1 366 36 36 TYR H H 7.780 0.03 1 367 36 36 TYR CA C 55.970 0.5 1 368 36 36 TYR HA H 4.842 0.03 1 369 36 36 TYR CB C 38.078 0.5 1 370 36 36 TYR HB2 H 2.827 0.03 2 371 36 36 TYR HB3 H 2.947 0.03 2 372 36 36 TYR CD1 C 133.300 0.5 3 373 36 36 TYR HD1 H 7.190 0.03 3 374 36 36 TYR HE1 H 6.840 0.03 3 375 36 36 TYR HE2 H 6.840 0.03 3 376 36 36 TYR CD2 C 133.300 0.5 3 377 36 36 TYR HD2 H 7.190 0.03 3 378 36 36 TYR C C 173.762 0.5 1 379 37 37 PRO CA C 64.246 0.5 1 380 37 37 PRO HA H 4.510 0.03 1 381 37 37 PRO CB C 31.930 0.5 1 382 37 37 PRO HB2 H 1.975 0.03 2 383 37 37 PRO HB3 H 2.360 0.03 2 384 37 37 PRO CG C 27.352 0.5 1 385 37 37 PRO HG2 H 1.980 0.03 2 386 37 37 PRO HG3 H 1.980 0.03 2 387 37 37 PRO CD C 50.383 0.5 1 388 37 37 PRO HD2 H 3.520 0.03 2 389 37 37 PRO HD3 H 3.410 0.03 2 390 37 37 PRO C C 177.853 0.5 1 391 38 38 GLN N N 118.430 0.3 1 392 38 38 GLN H H 8.562 0.03 1 393 38 38 GLN CA C 56.206 0.5 1 394 38 38 GLN HA H 4.407 0.03 1 395 38 38 GLN CB C 28.699 0.5 1 396 38 38 GLN HB2 H 2.055 0.03 2 397 38 38 GLN HB3 H 2.223 0.03 2 398 38 38 GLN CG C 34.035 0.5 1 399 38 38 GLN HG2 H 2.423 0.03 2 400 38 38 GLN C C 177.006 0.5 1 401 39 39 GLY N N 109.648 0.3 1 402 39 39 GLY H H 8.238 0.03 1 403 39 39 GLY CA C 46.039 0.5 1 404 39 39 GLY HA2 H 3.896 0.03 2 405 39 39 GLY HA3 H 4.085 0.03 2 406 39 39 GLY C C 174.663 0.5 1 407 40 40 GLY N N 109.023 0.3 1 408 40 40 GLY H H 8.296 0.03 1 409 40 40 GLY CA C 45.014 0.5 1 410 40 40 GLY C C 175.348 0.5 1 411 41 41 LYS CA C 58.500 0.5 1 412 41 41 LYS HA H 4.128 0.03 1 413 41 41 LYS CB C 32.600 0.5 1 414 41 41 LYS HB2 H 1.876 0.03 2 415 41 41 LYS HB3 H 1.866 0.03 2 416 41 41 LYS CG C 24.621 0.5 1 417 41 41 LYS HG2 H 1.470 0.03 2 418 41 41 LYS HG3 H 1.450 0.03 2 419 41 41 LYS CD C 28.899 0.5 1 420 41 41 LYS HD2 H 1.730 0.03 2 421 41 41 LYS HD3 H 1.720 0.03 2 422 41 41 LYS HE2 H 3.026 0.03 2 423 41 41 LYS HE3 H 3.026 0.03 2 424 42 42 GLU N N 118.500 0.3 1 425 42 42 GLU H H 8.710 0.03 1 426 42 42 GLU CA C 57.940 0.5 1 427 42 42 GLU HA H 4.178 0.03 1 428 42 42 GLU CB C 29.171 0.5 1 429 42 42 GLU HB2 H 2.055 0.03 2 430 42 42 GLU HB3 H 2.075 0.03 2 431 42 42 GLU CG C 36.769 0.5 1 432 42 42 GLU HG2 H 2.310 0.03 2 433 42 42 GLU HG3 H 2.314 0.03 2 434 42 42 GLU C C 176.610 0.5 1 435 43 43 SER N N 113.964 0.3 1 436 43 43 SER H H 7.658 0.03 1 437 43 43 SER CA C 59.122 0.5 1 438 43 43 SER HA H 3.710 0.03 1 439 43 43 SER CB C 64.325 0.5 1 440 43 43 SER HB2 H 3.630 0.03 2 441 43 43 SER HB3 H 3.630 0.03 2 442 43 43 SER C C 174.447 0.5 1 443 44 44 ASN N N 118.713 0.3 1 444 44 44 ASN H H 7.926 0.03 1 445 44 44 ASN CA C 54.157 0.5 1 446 44 44 ASN HA H 4.656 0.03 1 447 44 44 ASN CB C 38.787 0.5 1 448 44 44 ASN HB2 H 2.743 0.03 2 449 44 44 ASN HB3 H 2.870 0.03 2 450 44 44 ASN C C 175.907 0.5 1 451 45 45 MET N N 119.583 0.3 1 452 45 45 MET H H 8.153 0.03 1 453 45 45 MET CA C 58.019 0.5 1 454 45 45 MET HA H 4.158 0.03 1 455 45 45 MET CB C 31.772 0.5 1 456 45 45 MET HB2 H 2.005 0.03 2 457 45 45 MET HB3 H 2.563 0.03 2 458 45 45 MET HG2 H 2.553 0.03 2 459 45 45 MET HG3 H 2.413 0.03 2 460 45 45 MET CE C 17.400 0.5 1 461 45 45 MET HE H 2.030 0.03 1 462 45 45 MET C C 177.438 0.5 1 463 46 46 SER N N 113.300 0.3 1 464 46 46 SER H H 8.474 0.03 1 465 46 46 SER CA C 62.039 0.5 1 466 46 46 SER HA H 3.819 0.03 1 467 46 46 SER CB C 62.000 0.5 1 468 46 46 SER HB2 H 3.772 0.03 2 469 46 46 SER HB3 H 3.777 0.03 2 470 46 46 SER C C 175.853 0.5 1 471 47 47 THR N N 116.362 0.3 1 472 47 47 THR H H 7.249 0.03 1 473 47 47 THR CA C 65.822 0.5 1 474 47 47 THR HA H 3.889 0.03 1 475 47 47 THR CB C 68.896 0.5 1 476 47 47 THR HB H 4.078 0.03 1 477 47 47 THR CG2 C 21.912 0.5 1 478 47 47 THR HG2 H 1.229 0.03 1 479 47 47 THR C C 176.051 0.5 1 480 48 48 LEU N N 122.506 0.3 1 481 48 48 LEU H H 7.745 0.03 1 482 48 48 LEU CA C 58.571 0.5 1 483 48 48 LEU HA H 4.028 0.03 1 484 48 48 LEU CB C 41.782 0.5 1 485 48 48 LEU HB2 H 1.547 0.03 2 486 48 48 LEU HB3 H 1.626 0.03 2 487 48 48 LEU CG C 26.500 0.5 1 488 48 48 LEU HG H 1.515 0.03 1 489 48 48 LEU CD1 C 24.555 0.5 2 490 48 48 LEU HD1 H 0.523 0.03 2 491 48 48 LEU CD2 C 24.439 0.5 2 492 48 48 LEU HD2 H 0.530 0.03 2 493 48 48 LEU C C 178.141 0.5 1 494 49 49 LEU N N 116.931 0.3 1 495 49 49 LEU H H 8.080 0.03 1 496 49 49 LEU CA C 57.756 0.5 1 497 49 49 LEU HA H 3.670 0.03 1 498 49 49 LEU CB C 42.255 0.5 1 499 49 49 LEU HB2 H 0.960 0.03 2 500 49 49 LEU HB3 H 1.706 0.03 2 501 49 49 LEU CD1 C 23.500 0.5 2 502 49 49 LEU HD1 H 0.740 0.03 2 503 49 49 LEU CD2 C 26.500 0.5 2 504 49 49 LEU HD2 H 0.600 0.03 2 505 49 49 LEU C C 178.249 0.5 1 506 50 50 GLU N N 116.114 0.3 1 507 50 50 GLU H H 7.582 0.03 1 508 50 50 GLU CA C 59.668 0.5 1 509 50 50 GLU HA H 3.470 0.03 1 510 50 50 GLU CB C 29.014 0.5 1 511 50 50 GLU HB2 H 2.243 0.03 2 512 50 50 GLU HB3 H 2.140 0.03 2 513 50 50 GLU CG C 34.452 0.5 1 514 50 50 GLU HG2 H 1.326 0.03 2 515 50 50 GLU HG3 H 2.251 0.03 2 516 50 50 GLU C C 178.556 0.5 1 517 51 51 ARG N N 118.119 0.3 1 518 51 51 ARG H H 8.031 0.03 1 519 51 51 ARG CA C 59.595 0.5 1 520 51 51 ARG HA H 3.859 0.03 1 521 51 51 ARG CB C 31.694 0.5 1 522 51 51 ARG HB2 H 2.133 0.03 2 523 51 51 ARG HB3 H 1.930 0.03 2 524 51 51 ARG CD C 44.739 0.5 1 525 51 51 ARG C C 176.303 0.5 1 526 52 52 ALA N N 123.497 0.3 1 527 52 52 ALA H H 7.872 0.03 1 528 52 52 ALA CA C 54.315 0.5 1 529 52 52 ALA HA H 1.826 0.03 1 530 52 52 ALA CB C 18.689 0.5 1 531 52 52 ALA HB H 0.809 0.03 1 532 52 52 ALA C C 178.682 0.5 1 533 53 53 VAL N N 113.580 0.3 1 534 53 53 VAL H H 7.628 0.03 1 535 53 53 VAL CA C 66.677 0.5 1 536 53 53 VAL HA H 3.141 0.03 1 537 53 53 VAL CB C 30.748 0.5 1 538 53 53 VAL HB H 1.666 0.03 1 539 53 53 VAL CG2 C 21.600 0.5 2 540 53 53 VAL HG2 H 0.082 0.03 2 541 53 53 VAL CG1 C 21.300 0.5 2 542 53 53 VAL HG1 H 0.140 0.03 2 543 53 53 VAL C C 178.141 0.5 1 544 54 54 GLU N N 119.291 0.3 1 545 54 54 GLU H H 8.020 0.03 1 546 54 54 GLU CA C 59.832 0.5 1 547 54 54 GLU HA H 3.800 0.03 1 548 54 54 GLU CB C 29.802 0.5 1 549 54 54 GLU HB2 H 2.045 0.03 2 550 54 54 GLU HB3 H 2.065 0.03 2 551 54 54 GLU CG C 36.496 0.5 1 552 54 54 GLU HG2 H 2.294 0.03 2 553 54 54 GLU C C 178.736 0.5 1 554 55 55 ALA N N 119.183 0.3 1 555 55 55 ALA H H 7.758 0.03 1 556 55 55 ALA CA C 54.630 0.5 1 557 55 55 ALA HA H 4.270 0.03 1 558 55 55 ALA CB C 18.610 0.5 1 559 55 55 ALA HB H 1.500 0.03 1 560 55 55 ALA C C 180.340 0.5 1 561 56 56 LEU N N 115.268 0.3 1 562 56 56 LEU H H 7.533 0.03 1 563 56 56 LEU CA C 54.709 0.5 1 564 56 56 LEU HA H 4.686 0.03 1 565 56 56 LEU CB C 44.541 0.5 1 566 56 56 LEU HB2 H 1.674 0.03 2 567 56 56 LEU HB3 H 1.734 0.03 2 568 56 56 LEU CG C 26.351 0.5 1 569 56 56 LEU HG H 1.630 0.03 1 570 56 56 LEU CD1 C 27.352 0.5 2 571 56 56 LEU HD1 H 0.640 0.03 2 572 56 56 LEU CD2 C 22.618 0.5 2 573 56 56 LEU HD2 H 0.968 0.03 2 574 56 56 LEU C C 177.781 0.5 1 575 57 57 GLN N N 117.911 0.3 1 576 57 57 GLN H H 8.063 0.03 1 577 57 57 GLN CA C 59.438 0.5 1 578 57 57 GLN HA H 4.483 0.03 1 579 57 57 GLN CB C 27.466 0.5 1 580 57 57 GLN HB2 H 2.434 0.03 2 581 57 57 GLN HB3 H 2.610 0.03 2 582 57 57 GLN CG C 32.850 0.5 1 583 57 57 GLN HG2 H 2.648 0.03 2 584 57 57 GLN HG3 H 2.499 0.03 2 585 57 57 GLN C C 176.339 0.5 1 586 58 58 GLY N N 108.815 0.3 1 587 58 58 GLY H H 8.982 0.03 1 588 58 58 GLY CA C 45.093 0.5 1 589 58 58 GLY HA2 H 3.936 0.03 2 590 58 58 GLY HA3 H 4.224 0.03 2 591 58 58 GLY C C 174.753 0.5 1 592 59 59 GLU N N 121.132 0.3 1 593 59 59 GLU H H 7.921 0.03 1 594 59 59 GLU CA C 54.551 0.5 1 595 59 59 GLU HA H 4.467 0.03 1 596 59 59 GLU CB C 28.462 0.5 1 597 59 59 GLU HB2 H 1.975 0.03 2 598 59 59 GLU HB3 H 2.313 0.03 2 599 59 59 GLU CG C 35.363 0.5 1 600 59 59 GLU HG2 H 2.270 0.03 2 601 59 59 GLU C C 174.970 0.5 1 602 60 60 LYS N N 125.628 0.3 1 603 60 60 LYS H H 7.585 0.03 1 604 60 60 LYS CA C 58.302 0.5 1 605 60 60 LYS HA H 2.570 0.03 1 606 60 60 LYS CB C 31.378 0.5 1 607 60 60 LYS HB2 H 1.457 0.03 2 608 60 60 LYS HB3 H 1.477 0.03 2 609 60 60 LYS CG C 24.985 0.5 1 610 60 60 LYS HG2 H 1.025 0.03 2 611 60 60 LYS HG3 H 1.250 0.03 2 612 60 60 LYS CD C 28.808 0.5 1 613 60 60 LYS HD2 H 1.480 0.03 2 614 60 60 LYS HD3 H 1.500 0.03 2 615 60 60 LYS CE C 41.917 0.5 1 616 60 60 LYS HE2 H 2.980 0.03 2 617 60 60 LYS HE3 H 2.980 0.03 2 618 60 60 LYS C C 178.844 0.5 1 619 61 61 ARG N N 117.611 0.3 1 620 61 61 ARG H H 8.436 0.03 1 621 61 61 ARG CA C 57.940 0.5 1 622 61 61 ARG HA H 4.180 0.03 1 623 61 61 ARG CB C 28.462 0.5 1 624 61 61 ARG HB2 H 1.800 0.03 2 625 61 61 ARG HB3 H 1.910 0.03 2 626 61 61 ARG HG2 H 1.657 0.03 2 627 61 61 ARG CD C 43.423 0.5 1 628 61 61 ARG HD2 H 3.189 0.03 2 629 61 61 ARG HD3 H 3.209 0.03 2 630 61 61 ARG C C 177.204 0.5 1 631 62 62 TYR N N 118.207 0.3 1 632 62 62 TYR H H 7.934 0.03 1 633 62 62 TYR CA C 56.300 0.5 1 634 62 62 TYR HA H 5.055 0.03 1 635 62 62 TYR CB C 37.369 0.5 1 636 62 62 TYR HB2 H 2.284 0.03 2 637 62 62 TYR HB3 H 2.922 0.03 2 638 62 62 TYR CD1 C 131.700 0.5 3 639 62 62 TYR HD1 H 7.180 0.03 3 640 62 62 TYR CE1 C 118.500 0.5 3 641 62 62 TYR HE1 H 6.790 0.03 3 642 62 62 TYR CE2 C 118.500 0.5 3 643 62 62 TYR HE2 H 6.790 0.03 3 644 62 62 TYR CD2 C 131.700 0.5 3 645 62 62 TYR HD2 H 7.180 0.03 3 646 62 62 TYR C C 177.204 0.5 1 647 63 63 TYR N N 121.047 0.3 1 648 63 63 TYR H H 8.112 0.03 1 649 63 63 TYR CA C 60.384 0.5 1 650 63 63 TYR HA H 4.530 0.03 1 651 63 63 TYR CB C 35.162 0.5 1 652 63 63 TYR HB2 H 3.460 0.03 2 653 63 63 TYR HB3 H 3.480 0.03 2 654 63 63 TYR CD1 C 131.700 0.5 3 655 63 63 TYR HD1 H 6.930 0.03 3 656 63 63 TYR CD2 C 131.700 0.5 3 657 63 63 TYR HD2 H 6.930 0.03 3 658 63 63 TYR C C 176.898 0.5 1 659 64 64 SER N N 113.323 0.3 1 660 64 64 SER H H 8.210 0.03 1 661 64 64 SER CA C 56.755 0.5 1 662 64 64 SER HA H 4.945 0.03 1 663 64 64 SER CB C 63.773 0.5 1 664 64 64 SER HB2 H 4.018 0.03 2 665 64 64 SER HB3 H 4.098 0.03 2 666 64 64 SER C C 172.447 0.5 1 667 65 65 ASP N N 124.394 0.3 1 668 65 65 ASP H H 7.974 0.03 1 669 65 65 ASP CA C 51.083 0.5 1 670 65 65 ASP HA H 5.340 0.03 1 671 65 65 ASP CB C 44.620 0.5 1 672 65 65 ASP HB2 H 2.847 0.03 2 673 65 65 ASP HB3 H 3.504 0.03 2 674 65 65 ASP C C 176.573 0.5 1 675 66 66 PRO CA C 65.507 0.5 1 676 66 66 PRO HA H 4.320 0.03 1 677 66 66 PRO CB C 32.482 0.5 1 678 66 66 PRO HB2 H 2.264 0.03 2 679 66 66 PRO HB3 H 2.613 0.03 2 680 66 66 PRO CG C 27.352 0.5 1 681 66 66 PRO HG2 H 2.300 0.03 2 682 66 66 PRO HG3 H 2.300 0.03 2 683 66 66 PRO CD C 52.021 0.5 1 684 66 66 PRO HD2 H 4.170 0.03 2 685 66 66 PRO HD3 H 4.320 0.03 2 686 66 66 PRO C C 178.772 0.5 1 687 67 67 ARG N N 117.086 0.3 1 688 67 67 ARG H H 9.254 0.03 1 689 67 67 ARG CA C 58.177 0.5 1 690 67 67 ARG HA H 4.294 0.03 1 691 67 67 ARG CB C 30.275 0.5 1 692 67 67 ARG HB2 H 1.586 0.03 2 693 67 67 ARG HB3 H 2.004 0.03 2 694 67 67 ARG CG C 27.079 0.5 1 695 67 67 ARG CD C 43.191 0.5 1 696 67 67 ARG C C 179.313 0.5 1 697 68 68 PHE N N 120.156 0.3 1 698 68 68 PHE H H 7.761 0.03 1 699 68 68 PHE CA C 59.280 0.5 1 700 68 68 PHE HA H 4.397 0.03 1 701 68 68 PHE CB C 40.285 0.5 1 702 68 68 PHE HB2 H 3.950 0.03 2 703 68 68 PHE HB3 H 3.100 0.03 2 704 68 68 PHE CD1 C 133.300 0.5 3 705 68 68 PHE HD1 H 7.330 0.03 3 706 68 68 PHE CD2 C 133.300 0.5 3 707 68 68 PHE HD2 H 7.330 0.03 3 708 68 68 PHE C C 177.240 0.5 1 709 69 69 LEU N N 118.559 0.3 1 710 69 69 LEU H H 7.647 0.03 1 711 69 69 LEU CA C 58.650 0.5 1 712 69 69 LEU HA H 4.050 0.03 1 713 69 69 LEU CB C 40.460 0.5 1 714 69 69 LEU HB2 H 1.730 0.03 2 715 69 69 LEU HB3 H 2.025 0.03 2 716 69 69 LEU CG C 28.444 0.5 1 717 69 69 LEU CD1 C 27.352 0.5 2 718 69 69 LEU HD1 H 1.130 0.03 2 719 69 69 LEU CD2 C 23.711 0.5 2 720 69 69 LEU HD2 H 1.000 0.03 2 721 69 69 LEU C C 178.357 0.5 1 722 70 70 ASN N N 114.237 0.3 1 723 70 70 ASN H H 7.944 0.03 1 724 70 70 ASN CA C 56.521 0.5 1 725 70 70 ASN HA H 4.363 0.03 1 726 70 70 ASN CB C 38.708 0.5 1 727 70 70 ASN HB2 H 2.781 0.03 2 728 70 70 ASN HB3 H 2.951 0.03 2 729 70 70 ASN C C 176.682 0.5 1 730 71 71 LEU N N 117.390 0.3 1 731 71 71 LEU H H 7.048 0.03 1 732 71 71 LEU CA C 58.571 0.5 1 733 71 71 LEU HA H 3.739 0.03 1 734 71 71 LEU CB C 41.309 0.5 1 735 71 71 LEU HB2 H 1.048 0.03 2 736 71 71 LEU HB3 H 1.560 0.03 2 737 71 71 LEU CG C 25.622 0.5 1 738 71 71 LEU HG H 1.780 0.03 1 739 71 71 LEU CD1 C 25.804 0.5 2 740 71 71 LEU HD1 H 0.521 0.03 2 741 71 71 LEU CD2 C 23.620 0.5 2 742 71 71 LEU HD2 H 0.521 0.03 2 743 71 71 LEU C C 177.817 0.5 1 744 72 72 TRP N N 117.907 0.3 1 745 72 72 TRP H H 6.912 0.03 1 746 72 72 TRP CA C 60.305 0.5 1 747 72 72 TRP HA H 3.936 0.03 1 748 72 72 TRP CB C 29.014 0.5 1 749 72 72 TRP HB2 H 2.980 0.03 2 750 72 72 TRP HB3 H 3.359 0.03 2 751 72 72 TRP CD1 C 126.700 0.5 1 752 72 72 TRP HD1 H 6.580 0.03 1 753 72 72 TRP NE1 N 123.700 0.3 1 754 72 72 TRP HE1 H 6.970 0.03 1 755 72 72 TRP CZ2 C 113.600 0.5 1 756 72 72 TRP HZ2 H 7.250 0.03 1 757 72 72 TRP CH2 C 125.100 0.5 1 758 72 72 TRP HH2 H 7.020 0.03 1 759 72 72 TRP CZ3 C 120.700 0.5 1 760 72 72 TRP HZ3 H 7.010 0.03 1 761 72 72 TRP CE3 C 120.200 0.5 1 762 72 72 TRP HE3 H 7.490 0.03 1 763 72 72 TRP C C 178.610 0.5 1 764 73 73 LEU N N 117.200 0.3 1 765 73 73 LEU H H 8.586 0.03 1 766 73 73 LEU CA C 58.177 0.5 1 767 73 73 LEU HA H 3.900 0.03 1 768 73 73 LEU CB C 40.285 0.5 1 769 73 73 LEU HB2 H 1.980 0.03 2 770 73 73 LEU HB3 H 1.428 0.03 2 771 73 73 LEU CG C 26.806 0.5 1 772 73 73 LEU HG H 1.930 0.03 1 773 73 73 LEU CD1 C 22.982 0.5 2 774 73 73 LEU HD1 H 0.901 0.03 2 775 73 73 LEU CD2 C 25.713 0.5 2 776 73 73 LEU HD2 H 0.950 0.03 2 777 73 73 LEU C C 180.718 0.5 1 778 74 74 LYS N N 119.196 0.3 1 779 74 74 LYS H H 7.879 0.03 1 780 74 74 LYS CA C 59.911 0.5 1 781 74 74 LYS HA H 3.909 0.03 1 782 74 74 LYS CB C 32.797 0.5 1 783 74 74 LYS HB2 H 1.686 0.03 2 784 74 74 LYS HB3 H 1.925 0.03 2 785 74 74 LYS CE C 42.008 0.5 1 786 74 74 LYS HE2 H 2.857 0.03 2 787 74 74 LYS HE3 H 2.857 0.03 2 788 74 74 LYS C C 179.150 0.5 1 789 75 75 LEU N N 121.625 0.3 1 790 75 75 LEU H H 7.775 0.03 1 791 75 75 LEU CA C 58.098 0.5 1 792 75 75 LEU HA H 3.799 0.03 1 793 75 75 LEU CB C 41.546 0.5 1 794 75 75 LEU HB2 H 1.935 0.03 2 795 75 75 LEU HB3 H 1.268 0.03 2 796 75 75 LEU CG C 27.170 0.5 1 797 75 75 LEU HG H 1.296 0.03 1 798 75 75 LEU CD1 C 25.895 0.5 2 799 75 75 LEU HD1 H 0.530 0.03 2 800 75 75 LEU CD2 C 24.166 0.5 2 801 75 75 LEU HD2 H 0.391 0.03 2 802 75 75 LEU C C 180.015 0.5 1 803 76 76 GLY N N 106.840 0.3 1 804 76 76 GLY H H 8.884 0.03 1 805 76 76 GLY CA C 48.009 0.5 1 806 76 76 GLY HA2 H 3.747 0.03 2 807 76 76 GLY HA3 H 3.789 0.03 2 808 76 76 GLY C C 175.492 0.5 1 809 77 77 ARG N N 116.457 0.3 1 810 77 77 ARG H H 7.061 0.03 1 811 77 77 ARG CA C 57.625 0.5 1 812 77 77 ARG HA H 4.208 0.03 1 813 77 77 ARG CB C 29.881 0.5 1 814 77 77 ARG HB2 H 1.934 0.03 2 815 77 77 ARG HB3 H 1.975 0.03 2 816 77 77 ARG CG C 27.170 0.5 1 817 77 77 ARG CD C 43.191 0.5 1 818 77 77 ARG HD2 H 3.245 0.03 2 819 77 77 ARG HD3 H 3.249 0.03 2 820 77 77 ARG C C 177.222 0.5 1 821 78 78 LEU N N 117.475 0.3 1 822 78 78 LEU H H 7.757 0.03 1 823 78 78 LEU CA C 54.078 0.5 1 824 78 78 LEU HA H 4.410 0.03 1 825 78 78 LEU CB C 41.940 0.5 1 826 78 78 LEU HB2 H 1.875 0.03 2 827 78 78 LEU HB3 H 1.790 0.03 2 828 78 78 LEU CG C 26.168 0.5 1 829 78 78 LEU HG H 1.700 0.03 1 830 78 78 LEU CD1 C 25.895 0.5 2 831 78 78 LEU HD1 H 0.760 0.03 2 832 78 78 LEU CD2 C 22.436 0.5 2 833 78 78 LEU HD2 H 0.800 0.03 2 834 78 78 LEU C C 176.519 0.5 1 835 79 79 CYS N N 116.074 0.3 1 836 79 79 CYS H H 7.307 0.03 1 837 79 79 CYS CA C 58.757 0.5 1 838 79 79 CYS HA H 5.170 0.03 1 839 79 79 CYS CB C 28.699 0.5 1 840 79 79 CYS HB2 H 2.842 0.03 2 841 79 79 CYS HB3 H 3.040 0.03 2 842 79 79 CYS C C 175.240 0.5 1 843 80 80 ASN N N 120.522 0.3 1 844 80 80 ASN H H 9.085 0.03 1 845 80 80 ASN CA C 56.049 0.5 1 846 80 80 ASN HA H 4.317 0.03 1 847 80 80 ASN CB C 38.472 0.5 1 848 80 80 ASN HB2 H 2.802 0.03 2 849 80 80 ASN HB3 H 2.822 0.03 2 850 80 80 ASN C C 175.492 0.5 1 851 81 81 GLU N N 116.883 0.3 1 852 81 81 GLU H H 8.109 0.03 1 853 81 81 GLU CA C 52.186 0.5 1 854 81 81 GLU HA H 4.880 0.03 1 855 81 81 GLU CB C 29.329 0.5 1 856 81 81 GLU HB2 H 1.890 0.03 2 857 81 81 GLU HB3 H 2.310 0.03 2 858 81 81 GLU CG C 37.911 0.5 1 859 81 81 GLU HG2 H 2.070 0.03 2 860 81 81 GLU HG3 H 2.350 0.03 2 861 81 81 GLU C C 173.690 0.5 1 862 82 82 PRO CA C 64.674 0.5 1 863 82 82 PRO HA H 3.959 0.03 1 864 82 82 PRO CB C 33.025 0.5 1 865 82 82 PRO HB2 H 1.626 0.03 2 866 82 82 PRO HB3 H 2.334 0.03 2 867 82 82 PRO CG C 27.284 0.5 1 868 82 82 PRO HG2 H 1.985 0.03 2 869 82 82 PRO CD C 50.565 0.5 1 870 82 82 PRO HD2 H 3.513 0.03 2 871 82 82 PRO C C 178.718 0.5 1 872 83 83 LEU N N 115.158 0.3 1 873 83 83 LEU H H 9.416 0.03 1 874 83 83 LEU CA C 58.728 0.5 1 875 83 83 LEU HA H 4.170 0.03 1 876 83 83 LEU CB C 40.369 0.5 1 877 83 83 LEU HB2 H 1.590 0.03 2 878 83 83 LEU HB3 H 1.720 0.03 2 879 83 83 LEU CG C 26.806 0.5 1 880 83 83 LEU HG H 1.580 0.03 1 881 83 83 LEU CD1 C 25.713 0.5 2 882 83 83 LEU HD1 H 0.672 0.03 2 883 83 83 LEU CD2 C 21.890 0.5 2 884 83 83 LEU HD2 H 0.381 0.03 2 885 83 83 LEU C C 179.475 0.5 1 886 84 84 ASP N N 119.164 0.3 1 887 84 84 ASP H H 7.887 0.03 1 888 84 84 ASP CA C 57.546 0.5 1 889 84 84 ASP HA H 4.420 0.03 1 890 84 84 ASP CB C 40.758 0.5 1 891 84 84 ASP HB2 H 2.780 0.03 2 892 84 84 ASP HB3 H 2.630 0.03 2 893 84 84 ASP C C 178.321 0.5 1 894 85 85 MET N N 120.383 0.3 1 895 85 85 MET H H 6.792 0.03 1 896 85 85 MET CA C 57.861 0.5 1 897 85 85 MET HA H 2.972 0.03 1 898 85 85 MET CB C 29.250 0.5 1 899 85 85 MET HB2 H 0.860 0.03 2 900 85 85 MET HB3 H 1.855 0.03 2 901 85 85 MET CG C 31.721 0.5 1 902 85 85 MET HG2 H 2.698 0.03 2 903 85 85 MET HG3 H 3.160 0.03 2 904 85 85 MET CE C 15.800 0.5 1 905 85 85 MET HE H 1.140 0.03 1 906 85 85 MET C C 177.294 0.5 1 907 86 86 TYR N N 117.050 0.3 1 908 86 86 TYR H H 7.070 0.03 1 909 86 86 TYR CA C 63.536 0.5 1 910 86 86 TYR HA H 3.341 0.03 1 911 86 86 TYR CB C 36.738 0.5 1 912 86 86 TYR HB2 H 0.879 0.03 2 913 86 86 TYR HB3 H 1.816 0.03 2 914 86 86 TYR CD1 C 132.200 0.5 3 915 86 86 TYR HD1 H 6.490 0.03 3 916 86 86 TYR CE1 C 117.400 0.5 3 917 86 86 TYR HE1 H 6.330 0.03 3 918 86 86 TYR CE2 C 117.400 0.5 3 919 86 86 TYR HE2 H 6.330 0.03 3 920 86 86 TYR CD2 C 132.200 0.5 3 921 86 86 TYR HD2 H 6.490 0.03 3 922 86 86 TYR C C 177.402 0.5 1 923 87 87 SER N N 110.960 0.3 1 924 87 87 SER H H 7.585 0.03 1 925 87 87 SER CA C 61.802 0.5 1 926 87 87 SER HA H 4.048 0.03 1 927 87 87 SER CB C 63.063 0.5 1 928 87 87 SER HB2 H 4.050 0.03 2 929 87 87 SER HB3 H 4.048 0.03 2 930 87 87 SER C C 176.159 0.5 1 931 88 88 TYR N N 123.022 0.3 1 932 88 88 TYR H H 7.174 0.03 1 933 88 88 TYR CA C 61.960 0.5 1 934 88 88 TYR HA H 4.228 0.03 1 935 88 88 TYR CB C 39.103 0.5 1 936 88 88 TYR HB2 H 3.160 0.03 2 937 88 88 TYR HB3 H 3.341 0.03 2 938 88 88 TYR CD1 C 132.800 0.5 3 939 88 88 TYR HD1 H 6.890 0.03 3 940 88 88 TYR CE1 C 118.000 0.5 3 941 88 88 TYR HE1 H 6.540 0.03 3 942 88 88 TYR CE2 C 118.000 0.5 3 943 88 88 TYR HE2 H 6.540 0.03 3 944 88 88 TYR CD2 C 132.800 0.5 3 945 88 88 TYR HD2 H 6.890 0.03 3 946 88 88 TYR C C 177.060 0.5 1 947 89 89 LEU N N 119.156 0.3 1 948 89 89 LEU H H 8.231 0.03 1 949 89 89 LEU CA C 58.666 0.5 1 950 89 89 LEU HA H 3.091 0.03 1 951 89 89 LEU CB C 39.260 0.5 1 952 89 89 LEU HB2 H 1.530 0.03 2 953 89 89 LEU HB3 H 1.380 0.03 2 954 89 89 LEU CG C 26.442 0.5 1 955 89 89 LEU HG H 1.356 0.03 1 956 89 89 LEU CD1 C 20.889 0.5 2 957 89 89 LEU HD1 H -0.394 0.03 2 958 89 89 LEU CD2 C 24.500 0.5 2 959 89 89 LEU HD2 H 0.272 0.03 2 960 89 89 LEU C C 179.186 0.5 1 961 90 90 HIS N N 116.102 0.3 1 962 90 90 HIS H H 8.018 0.03 1 963 90 90 HIS CA C 59.674 0.5 1 964 90 90 HIS HA H 3.747 0.03 1 965 90 90 HIS CB C 30.038 0.5 1 966 90 90 HIS HB2 H 3.120 0.03 2 967 90 90 HIS HB3 H 3.309 0.03 2 968 90 90 HIS CD2 C 119.600 0.5 1 969 90 90 HIS HD2 H 7.340 0.03 1 970 90 90 HIS C C 177.420 0.5 1 971 91 91 ASN N N 117.320 0.3 1 972 91 91 ASN H H 8.023 0.03 1 973 91 91 ASN CA C 55.891 0.5 1 974 91 91 ASN HA H 4.314 0.03 1 975 91 91 ASN CB C 38.866 0.5 1 976 91 91 ASN HB2 H 2.771 0.03 2 977 91 91 ASN HB3 H 2.951 0.03 2 978 91 91 ASN C C 177.078 0.5 1 979 92 92 GLN N N 115.588 0.3 1 980 92 92 GLN H H 7.821 0.03 1 981 92 92 GLN CA C 55.497 0.5 1 982 92 92 GLN HA H 4.028 0.03 1 983 92 92 GLN CB C 29.566 0.5 1 984 92 92 GLN HB2 H 1.258 0.03 2 985 92 92 GLN HB3 H 1.915 0.03 2 986 92 92 GLN CG C 32.905 0.5 1 987 92 92 GLN HG2 H 1.498 0.03 2 988 92 92 GLN HG3 H 1.697 0.03 2 989 92 92 GLN C C 175.763 0.5 1 990 93 93 GLY N N 106.464 0.3 1 991 93 93 GLY H H 7.470 0.03 1 992 93 93 GLY CA C 45.881 0.5 1 993 93 93 GLY HA2 H 3.450 0.03 2 994 93 93 GLY HA3 H 4.120 0.03 2 995 93 93 GLY C C 174.411 0.5 1 996 94 94 ILE N N 123.188 0.3 1 997 94 94 ILE H H 7.760 0.03 1 998 94 94 ILE CA C 61.802 0.5 1 999 94 94 ILE HA H 3.560 0.03 1 1000 94 94 ILE CB C 38.093 0.5 1 1001 94 94 ILE HB H 0.999 0.03 1 1002 94 94 ILE CG1 C 26.351 0.5 1 1003 94 94 ILE HG12 H 0.670 0.03 1 1004 94 94 ILE HG13 H -0.610 0.03 1 1005 94 94 ILE CD1 C 12.969 0.5 1 1006 94 94 ILE HD1 H 0.232 0.03 1 1007 94 94 ILE CG2 C 17.065 0.5 1 1008 94 94 ILE HG2 H 0.394 0.03 1 1009 94 94 ILE C C 173.708 0.5 1 1010 95 95 GLY N N 110.452 0.3 1 1011 95 95 GLY H H 8.197 0.03 1 1012 95 95 GLY CA C 46.039 0.5 1 1013 95 95 GLY HA2 H 3.538 0.03 2 1014 95 95 GLY HA3 H 3.677 0.03 2 1015 95 95 GLY C C 174.069 0.5 1 1016 96 96 VAL N N 107.172 0.3 1 1017 96 96 VAL H H 6.137 0.03 1 1018 96 96 VAL CA C 63.300 0.5 1 1019 96 96 VAL HA H 3.769 0.03 1 1020 96 96 VAL CB C 31.221 0.5 1 1021 96 96 VAL HB H 2.384 0.03 1 1022 96 96 VAL CG2 C 21.708 0.5 2 1023 96 96 VAL HG2 H 0.650 0.03 2 1024 96 96 VAL CG1 C 18.067 0.5 2 1025 96 96 VAL HG1 H 0.819 0.03 2 1026 96 96 VAL C C 177.078 0.5 1 1027 97 97 SER N N 116.287 0.3 1 1028 97 97 SER H H 8.673 0.03 1 1029 97 97 SER CA C 58.019 0.5 1 1030 97 97 SER HA H 5.020 0.03 1 1031 97 97 SER CB C 63.855 0.5 1 1032 97 97 SER HB2 H 3.978 0.03 2 1033 97 97 SER HB3 H 4.367 0.03 2 1034 97 97 SER C C 174.087 0.5 1 1035 98 98 LEU N N 123.949 0.3 1 1036 98 98 LEU H H 8.289 0.03 1 1037 98 98 LEU CA C 53.751 0.5 1 1038 98 98 LEU HA H 5.314 0.03 1 1039 98 98 LEU CB C 42.413 0.5 1 1040 98 98 LEU HB2 H 1.715 0.03 2 1041 98 98 LEU HB3 H 2.334 0.03 2 1042 98 98 LEU CD1 C 22.891 0.5 2 1043 98 98 LEU HD1 H 1.130 0.03 2 1044 98 98 LEU CD2 C 26.077 0.5 2 1045 98 98 LEU HD2 H 0.958 0.03 2 1046 98 98 LEU C C 176.808 0.5 1 1047 99 99 ALA N N 128.155 0.3 1 1048 99 99 ALA H H 9.167 0.03 1 1049 99 99 ALA CA C 55.970 0.5 1 1050 99 99 ALA HA H 3.978 0.03 1 1051 99 99 ALA CB C 18.767 0.5 1 1052 99 99 ALA HB H 1.308 0.03 1 1053 99 99 ALA C C 178.970 0.5 1 1054 100 100 GLN N N 113.767 0.3 1 1055 100 100 GLN H H 9.304 0.03 1 1056 100 100 GLN CA C 58.177 0.5 1 1057 100 100 GLN HA H 3.939 0.03 1 1058 100 100 GLN CB C 28.935 0.5 1 1059 100 100 GLN HB2 H 1.826 0.03 2 1060 100 100 GLN HB3 H 2.364 0.03 2 1061 100 100 GLN CG C 33.215 0.5 1 1062 100 100 GLN HG2 H 2.459 0.03 2 1063 100 100 GLN HG3 H 2.463 0.03 2 1064 100 100 GLN C C 176.988 0.5 1 1065 101 101 PHE N N 117.801 0.3 1 1066 101 101 PHE H H 7.464 0.03 1 1067 101 101 PHE CA C 61.960 0.5 1 1068 101 101 PHE HA H 4.068 0.03 1 1069 101 101 PHE CB C 39.418 0.5 1 1070 101 101 PHE HB2 H 3.230 0.03 2 1071 101 101 PHE HB3 H 3.230 0.03 2 1072 101 101 PHE CD1 C 130.600 0.5 3 1073 101 101 PHE HD1 H 6.270 0.03 3 1074 101 101 PHE CE1 C 131.100 0.5 3 1075 101 101 PHE HE1 H 6.890 0.03 3 1076 101 101 PHE CZ C 129.500 0.5 1 1077 101 101 PHE HZ H 6.520 0.03 1 1078 101 101 PHE CE2 C 131.100 0.5 3 1079 101 101 PHE HE2 H 6.890 0.03 3 1080 101 101 PHE CD2 C 130.600 0.5 3 1081 101 101 PHE HD2 H 6.270 0.03 3 1082 101 101 PHE C C 174.573 0.5 1 1083 102 102 TYR N N 115.039 0.3 1 1084 102 102 TYR H H 6.660 0.03 1 1085 102 102 TYR CA C 61.645 0.5 1 1086 102 102 TYR HA H 3.550 0.03 1 1087 102 102 TYR CB C 38.472 0.5 1 1088 102 102 TYR HB2 H 2.812 0.03 2 1089 102 102 TYR HB3 H 2.822 0.03 2 1090 102 102 TYR CD1 C 133.900 0.5 3 1091 102 102 TYR HD1 H 7.330 0.03 3 1092 102 102 TYR CE1 C 118.000 0.5 3 1093 102 102 TYR HE1 H 7.040 0.03 3 1094 102 102 TYR CE2 C 118.000 0.5 3 1095 102 102 TYR HE2 H 7.040 0.03 3 1096 102 102 TYR CD2 C 133.900 0.5 3 1097 102 102 TYR HD2 H 7.330 0.03 3 1098 102 102 TYR C C 176.898 0.5 1 1099 103 103 ILE N N 117.399 0.3 1 1100 103 103 ILE H H 8.079 0.03 1 1101 103 103 ILE CA C 65.901 0.5 1 1102 103 103 ILE HA H 3.211 0.03 1 1103 103 103 ILE CB C 38.787 0.5 1 1104 103 103 ILE HB H 1.634 0.03 1 1105 103 103 ILE CG1 C 30.447 0.5 1 1106 103 103 ILE CD1 C 13.970 0.5 1 1107 103 103 ILE HD1 H 0.799 0.03 1 1108 103 103 ILE CG2 C 17.065 0.5 1 1109 103 103 ILE HG2 H 0.978 0.03 1 1110 103 103 ILE C C 177.348 0.5 1 1111 104 104 SER N N 114.654 0.3 1 1112 104 104 SER H H 8.021 0.03 1 1113 104 104 SER CA C 63.221 0.5 1 1114 104 104 SER HA H 3.919 0.03 1 1115 104 104 SER CB C 63.142 0.5 1 1116 104 104 SER HB2 H 4.330 0.03 2 1117 104 104 SER HB3 H 4.330 0.03 2 1118 104 104 SER C C 175.781 0.5 1 1119 105 105 TRP N N 124.241 0.3 1 1120 105 105 TRP H H 7.666 0.03 1 1121 105 105 TRP CA C 56.916 0.5 1 1122 105 105 TRP HA H 2.890 0.03 1 1123 105 105 TRP CB C 30.117 0.5 1 1124 105 105 TRP HB2 H 2.085 0.03 2 1125 105 105 TRP HB3 H 2.722 0.03 2 1126 105 105 TRP CD1 C 124.000 0.5 1 1127 105 105 TRP HD1 H 6.170 0.03 1 1128 105 105 TRP NE1 N 127.000 0.3 1 1129 105 105 TRP HE1 H 9.590 0.03 1 1130 105 105 TRP CZ2 C 113.600 0.5 1 1131 105 105 TRP HZ2 H 7.340 0.03 1 1132 105 105 TRP C C 177.601 0.5 1 1133 106 106 ALA N N 119.283 0.3 1 1134 106 106 ALA H H 8.260 0.03 1 1135 106 106 ALA CA C 55.662 0.5 1 1136 106 106 ALA HA H 3.550 0.03 1 1137 106 106 ALA CB C 18.294 0.5 1 1138 106 106 ALA HB H 0.610 0.03 1 1139 106 106 ALA C C 180.628 0.5 1 1140 107 107 GLU N N 117.737 0.3 1 1141 107 107 GLU H H 8.196 0.03 1 1142 107 107 GLU CA C 59.753 0.5 1 1143 107 107 GLU HA H 4.088 0.03 1 1144 107 107 GLU CB C 29.250 0.5 1 1145 107 107 GLU HB2 H 2.125 0.03 2 1146 107 107 GLU HB3 H 2.294 0.03 2 1147 107 107 GLU CG C 37.225 0.5 1 1148 107 107 GLU HG2 H 2.070 0.03 2 1149 107 107 GLU HG3 H 2.314 0.03 2 1150 107 107 GLU C C 179.241 0.5 1 1151 108 108 GLU N N 121.552 0.3 1 1152 108 108 GLU H H 7.516 0.03 1 1153 108 108 GLU CA C 59.122 0.5 1 1154 108 108 GLU HA H 4.110 0.03 1 1155 108 108 GLU CB C 28.620 0.5 1 1156 108 108 GLU HB2 H 1.906 0.03 2 1157 108 108 GLU HB3 H 2.105 0.03 2 1158 108 108 GLU CG C 35.584 0.5 1 1159 108 108 GLU HG2 H 1.920 0.03 2 1160 108 108 GLU C C 178.970 0.5 1 1161 109 109 TYR N N 116.361 0.3 1 1162 109 109 TYR H H 7.242 0.03 1 1163 109 109 TYR CA C 63.379 0.5 1 1164 109 109 TYR HA H 4.267 0.03 1 1165 109 109 TYR CB C 37.684 0.5 1 1166 109 109 TYR HB2 H 2.523 0.03 2 1167 109 109 TYR HB3 H 3.311 0.03 2 1168 109 109 TYR CD1 C 132.200 0.5 3 1169 109 109 TYR HD1 H 6.770 0.03 3 1170 109 109 TYR CE1 C 119.000 0.5 3 1171 109 109 TYR HE1 H 6.490 0.03 3 1172 109 109 TYR CE2 C 119.000 0.5 3 1173 109 109 TYR HE2 H 6.490 0.03 3 1174 109 109 TYR CD2 C 132.200 0.5 3 1175 109 109 TYR HD2 H 6.770 0.03 3 1176 109 109 TYR C C 179.475 0.5 1 1177 110 110 GLU N N 123.230 0.3 1 1178 110 110 GLU H H 9.099 0.03 1 1179 110 110 GLU CA C 60.778 0.5 1 1180 110 110 GLU HA H 3.699 0.03 1 1181 110 110 GLU CB C 29.566 0.5 1 1182 110 110 GLU HB2 H 2.432 0.03 2 1183 110 110 GLU HB3 H 2.125 0.03 2 1184 110 110 GLU CG C 36.040 0.5 1 1185 110 110 GLU HG2 H 2.473 0.03 2 1186 110 110 GLU C C 179.997 0.5 1 1187 111 111 ALA N N 123.537 0.3 1 1188 111 111 ALA H H 8.285 0.03 1 1189 111 111 ALA CA C 55.103 0.5 1 1190 111 111 ALA HA H 4.270 0.03 1 1191 111 111 ALA CB C 17.743 0.5 1 1192 111 111 ALA HB H 1.627 0.03 1 1193 111 111 ALA C C 178.610 0.5 1 1194 112 112 ARG N N 114.922 0.3 1 1195 112 112 ARG H H 7.164 0.03 1 1196 112 112 ARG CA C 54.551 0.5 1 1197 112 112 ARG HA H 4.540 0.03 1 1198 112 112 ARG CB C 29.723 0.5 1 1199 112 112 ARG HB2 H 1.886 0.03 2 1200 112 112 ARG HB3 H 2.274 0.03 2 1201 112 112 ARG CG C 26.624 0.5 1 1202 112 112 ARG HG2 H 1.876 0.03 2 1203 112 112 ARG CD C 43.009 0.5 1 1204 112 112 ARG HD2 H 3.241 0.03 2 1205 112 112 ARG HD3 H 3.082 0.03 2 1206 112 112 ARG C C 175.312 0.5 1 1207 113 113 GLU N N 113.379 0.3 1 1208 113 113 GLU H H 8.033 0.03 1 1209 113 113 GLU CA C 57.310 0.5 1 1210 113 113 GLU HA H 3.080 0.03 1 1211 113 113 GLU CB C 26.334 0.5 1 1212 113 113 GLU HB2 H 2.142 0.03 2 1213 113 113 GLU HB3 H 2.223 0.03 2 1214 113 113 GLU CG C 37.225 0.5 1 1215 113 113 GLU HG2 H 2.190 0.03 2 1216 113 113 GLU HG3 H 2.185 0.03 2 1217 113 113 GLU C C 174.267 0.5 1 1218 114 114 ASN N N 118.079 0.3 1 1219 114 114 ASN H H 7.980 0.03 1 1220 114 114 ASN CA C 50.200 0.5 1 1221 114 114 ASN HA H 5.005 0.03 1 1222 114 114 ASN CB C 36.817 0.5 1 1223 114 114 ASN HB2 H 2.620 0.03 2 1224 114 114 ASN HB3 H 3.181 0.03 2 1225 114 114 ASN C C 175.582 0.5 1 1226 115 115 PHE N N 120.761 0.3 1 1227 115 115 PHE H H 7.350 0.03 1 1228 115 115 PHE CA C 59.832 0.5 1 1229 115 115 PHE HA H 4.450 0.03 1 1230 115 115 PHE CB C 38.236 0.5 1 1231 115 115 PHE HB2 H 3.109 0.03 2 1232 115 115 PHE HB3 H 3.420 0.03 2 1233 115 115 PHE CD1 C 131.100 0.5 3 1234 115 115 PHE HD1 H 7.310 0.03 3 1235 115 115 PHE CE1 C 132.200 0.5 3 1236 115 115 PHE HE1 H 7.640 0.03 3 1237 115 115 PHE CZ C 130.600 0.5 1 1238 115 115 PHE HZ H 7.540 0.03 1 1239 115 115 PHE CE2 C 132.200 0.5 3 1240 115 115 PHE HE2 H 7.640 0.03 3 1241 115 115 PHE CD2 C 131.100 0.5 3 1242 115 115 PHE HD2 H 7.310 0.03 3 1243 115 115 PHE C C 178.177 0.5 1 1244 116 116 ARG N N 119.408 0.3 1 1245 116 116 ARG H H 8.738 0.03 1 1246 116 116 ARG CA C 59.832 0.5 1 1247 116 116 ARG HA H 4.248 0.03 1 1248 116 116 ARG CB C 29.644 0.5 1 1249 116 116 ARG HB2 H 1.924 0.03 2 1250 116 116 ARG HB3 H 1.985 0.03 2 1251 116 116 ARG HG2 H 1.707 0.03 2 1252 116 116 ARG CD C 43.150 0.5 1 1253 116 116 ARG HD2 H 3.275 0.03 2 1254 116 116 ARG HD3 H 3.279 0.03 2 1255 116 116 ARG C C 179.367 0.5 1 1256 117 117 LYS N N 119.139 0.3 1 1257 117 117 LYS H H 7.168 0.03 1 1258 117 117 LYS CA C 57.625 0.5 1 1259 117 117 LYS HA H 3.756 0.03 1 1260 117 117 LYS CB C 30.905 0.5 1 1261 117 117 LYS HB2 H 0.320 0.03 2 1262 117 117 LYS HB3 H 0.891 0.03 2 1263 117 117 LYS CG C 24.647 0.5 1 1264 117 117 LYS HG2 H 0.500 0.03 2 1265 117 117 LYS HG3 H 0.590 0.03 2 1266 117 117 LYS CD C 28.080 0.5 1 1267 117 117 LYS HD2 H 1.190 0.03 2 1268 117 117 LYS HD3 H 1.220 0.03 2 1269 117 117 LYS HE2 H 2.513 0.03 2 1270 117 117 LYS HE3 H 2.653 0.03 2 1271 117 117 LYS C C 177.565 0.5 1 1272 118 118 ALA N N 119.167 0.3 1 1273 118 118 ALA H H 7.367 0.03 1 1274 118 118 ALA CA C 55.891 0.5 1 1275 118 118 ALA HA H 3.600 0.03 1 1276 118 118 ALA CB C 18.846 0.5 1 1277 118 118 ALA C C 178.087 0.5 1 1278 119 119 ASP N N 115.486 0.3 1 1279 119 119 ASP H H 8.014 0.03 1 1280 119 119 ASP CA C 58.334 0.5 1 1281 119 119 ASP HA H 4.467 0.03 1 1282 119 119 ASP CB C 42.965 0.5 1 1283 119 119 ASP HB2 H 2.922 0.03 2 1284 119 119 ASP HB3 H 3.161 0.03 2 1285 119 119 ASP C C 177.547 0.5 1 1286 120 120 ALA N N 119.269 0.3 1 1287 120 120 ALA H H 7.478 0.03 1 1288 120 120 ALA CA C 55.182 0.5 1 1289 120 120 ALA HA H 3.936 0.03 1 1290 120 120 ALA CB C 17.743 0.5 1 1291 120 120 ALA HB H 1.399 0.03 1 1292 120 120 ALA C C 180.628 0.5 1 1293 121 121 ILE N N 121.533 0.3 1 1294 121 121 ILE H H 7.756 0.03 1 1295 121 121 ILE CA C 63.536 0.5 1 1296 121 121 ILE HA H 3.490 0.03 1 1297 121 121 ILE CB C 36.344 0.5 1 1298 121 121 ILE HB H 1.510 0.03 1 1299 121 121 ILE CG1 C 28.171 0.5 1 1300 121 121 ILE HG12 H 0.322 0.03 1 1301 121 121 ILE HG13 H 0.401 0.03 1 1302 121 121 ILE CD1 C 10.420 0.5 1 1303 121 121 ILE HD1 H -0.623 0.03 1 1304 121 121 ILE CG2 C 20.069 0.5 1 1305 121 121 ILE HG2 H 0.620 0.03 1 1306 121 121 ILE C C 178.556 0.5 1 1307 122 122 PHE N N 118.580 0.3 1 1308 122 122 PHE H H 7.652 0.03 1 1309 122 122 PHE CA C 63.930 0.5 1 1310 122 122 PHE HA H 3.789 0.03 1 1311 122 122 PHE CB C 39.733 0.5 1 1312 122 122 PHE HB2 H 1.985 0.03 2 1313 122 122 PHE HB3 H 2.693 0.03 2 1314 122 122 PHE CD1 C 131.700 0.5 3 1315 122 122 PHE HD1 H 6.850 0.03 3 1316 122 122 PHE CD2 C 131.700 0.5 3 1317 122 122 PHE HD2 H 6.850 0.03 3 1318 122 122 PHE C C 178.376 0.5 1 1319 123 123 GLN N N 114.268 0.3 1 1320 123 123 GLN H H 8.045 0.03 1 1321 123 123 GLN CA C 59.517 0.5 1 1322 123 123 GLN HA H 3.789 0.03 1 1323 123 123 GLN CB C 27.989 0.5 1 1324 123 123 GLN HB3 H 2.065 0.03 2 1325 123 123 GLN CG C 34.035 0.5 1 1326 123 123 GLN HG2 H 2.264 0.03 2 1327 123 123 GLN HG3 H 2.503 0.03 2 1328 123 123 GLN C C 178.646 0.5 1 1329 124 124 GLU N N 121.981 0.3 1 1330 124 124 GLU H H 8.057 0.03 1 1331 124 124 GLU CA C 59.359 0.5 1 1332 124 124 GLU HA H 4.078 0.03 1 1333 124 124 GLU CB C 28.541 0.5 1 1334 124 124 GLU HB2 H 2.151 0.03 2 1335 124 124 GLU HB3 H 2.155 0.03 2 1336 124 124 GLU CG C 35.949 0.5 1 1337 124 124 GLU HG2 H 2.393 0.03 2 1338 124 124 GLU HG3 H 2.364 0.03 2 1339 124 124 GLU C C 178.105 0.5 1 1340 125 125 GLY N N 107.776 0.3 1 1341 125 125 GLY H H 7.778 0.03 1 1342 125 125 GLY CA C 46.354 0.5 1 1343 125 125 GLY HA2 H 2.224 0.03 2 1344 125 125 GLY HA3 H 2.420 0.03 2 1345 125 125 GLY C C 175.222 0.5 1 1346 126 126 ILE N N 122.172 0.3 1 1347 126 126 ILE H H 7.998 0.03 1 1348 126 126 ILE CA C 65.349 0.5 1 1349 126 126 ILE HA H 3.580 0.03 1 1350 126 126 ILE CB C 38.393 0.5 1 1351 126 126 ILE HB H 1.836 0.03 1 1352 126 126 ILE CG1 C 30.720 0.5 1 1353 126 126 ILE HG12 H 0.770 0.03 1 1354 126 126 ILE CD1 C 13.788 0.5 1 1355 126 126 ILE HD1 H 0.725 0.03 1 1356 126 126 ILE CG2 C 16.974 0.5 1 1357 126 126 ILE HG2 H 0.938 0.03 1 1358 126 126 ILE C C 180.394 0.5 1 1359 127 127 GLN N N 123.089 0.3 1 1360 127 127 GLN H H 8.389 0.03 1 1361 127 127 GLN CA C 59.201 0.5 1 1362 127 127 GLN HA H 4.040 0.03 1 1363 127 127 GLN CB C 28.068 0.5 1 1364 127 127 GLN HB2 H 2.230 0.03 2 1365 127 127 GLN HB3 H 2.230 0.03 2 1366 127 127 GLN CG C 34.126 0.5 1 1367 127 127 GLN HG2 H 2.493 0.03 2 1368 127 127 GLN C C 178.376 0.5 1 1369 128 128 GLN N N 115.805 0.3 1 1370 128 128 GLN H H 7.867 0.03 1 1371 128 128 GLN CA C 55.812 0.5 1 1372 128 128 GLN HA H 4.198 0.03 1 1373 128 128 GLN CB C 28.068 0.5 1 1374 128 128 GLN HB2 H 1.975 0.03 2 1375 128 128 GLN HB3 H 2.424 0.03 2 1376 128 128 GLN CG C 33.488 0.5 1 1377 128 128 GLN HG2 H 2.648 0.03 2 1378 128 128 GLN HG3 H 2.652 0.03 2 1379 128 128 GLN C C 174.970 0.5 1 1380 129 129 LYS N N 116.993 0.3 1 1381 129 129 LYS H H 7.959 0.03 1 1382 129 129 LYS CA C 57.073 0.5 1 1383 129 129 LYS HA H 3.720 0.03 1 1384 129 129 LYS CB C 28.777 0.5 1 1385 129 129 LYS HB2 H 1.935 0.03 2 1386 129 129 LYS HB3 H 2.180 0.03 2 1387 129 129 LYS CG C 25.193 0.5 1 1388 129 129 LYS HG2 H 1.396 0.03 2 1389 129 129 LYS HG3 H 1.415 0.03 2 1390 129 129 LYS CD C 29.295 0.5 1 1391 129 129 LYS HD2 H 1.773 0.03 2 1392 129 129 LYS HD3 H 1.760 0.03 2 1393 129 129 LYS CE C 42.330 0.5 1 1394 129 129 LYS HE2 H 3.086 0.03 2 1395 129 129 LYS HE3 H 3.070 0.03 2 1396 129 129 LYS C C 175.330 0.5 1 1397 130 130 ALA N N 121.667 0.3 1 1398 130 130 ALA H H 7.530 0.03 1 1399 130 130 ALA CA C 53.290 0.5 1 1400 130 130 ALA HA H 4.120 0.03 1 1401 130 130 ALA CB C 19.004 0.5 1 1402 130 130 ALA HB H 1.150 0.03 1 1403 130 130 ALA C C 175.618 0.5 1 1404 131 131 GLU N N 114.921 0.3 1 1405 131 131 GLU H H 7.760 0.03 1 1406 131 131 GLU CA C 54.115 0.5 1 1407 131 131 GLU HA H 5.141 0.03 1 1408 131 131 GLU CB C 32.482 0.5 1 1409 131 131 GLU HB2 H 2.160 0.03 2 1410 131 131 GLU HB3 H 2.160 0.03 2 1411 131 131 GLU CG C 35.089 0.5 1 1412 131 131 GLU HG2 H 2.640 0.03 2 1413 131 131 GLU C C 177.456 0.5 1 1414 132 132 PRO CA C 62.118 0.5 1 1415 132 132 PRO HA H 5.224 0.03 1 1416 132 132 PRO CB C 33.428 0.5 1 1417 132 132 PRO HB2 H 2.304 0.03 2 1418 132 132 PRO HB3 H 2.683 0.03 2 1419 132 132 PRO CG C 25.713 0.5 1 1420 132 132 PRO HG2 H 2.290 0.03 2 1421 132 132 PRO HG3 H 2.190 0.03 2 1422 132 132 PRO CD C 51.202 0.5 1 1423 132 132 PRO HD2 H 3.990 0.03 2 1424 132 132 PRO HD3 H 3.690 0.03 2 1425 132 132 PRO C C 177.529 0.5 1 1426 133 133 LEU N N 134.200 0.3 1 1427 133 133 LEU H H 9.155 0.03 1 1428 133 133 LEU CA C 58.255 0.5 1 1429 133 133 LEU HA H 4.437 0.03 1 1430 133 133 LEU CB C 42.177 0.5 1 1431 133 133 LEU HB2 H 1.584 0.03 2 1432 133 133 LEU HB3 H 1.843 0.03 2 1433 133 133 LEU CG C 26.806 0.5 1 1434 133 133 LEU HG H 1.697 0.03 1 1435 133 133 LEU CD1 C 24.530 0.5 2 1436 133 133 LEU HD1 H 1.150 0.03 2 1437 133 133 LEU CD2 C 26.077 0.5 2 1438 133 133 LEU HD2 H 0.991 0.03 2 1439 133 133 LEU C C 179.096 0.5 1 1440 134 134 GLU N N 117.715 0.3 1 1441 134 134 GLU H H 9.316 0.03 1 1442 134 134 GLU CA C 59.753 0.5 1 1443 134 134 GLU HA H 4.274 0.03 1 1444 134 134 GLU CB C 28.620 0.5 1 1445 134 134 GLU HB2 H 2.155 0.03 2 1446 134 134 GLU HB3 H 2.145 0.03 2 1447 134 134 GLU CG C 36.405 0.5 1 1448 134 134 GLU HG2 H 2.423 0.03 2 1449 134 134 GLU HG3 H 2.413 0.03 2 1450 134 134 GLU C C 179.493 0.5 1 1451 135 135 ARG N N 119.107 0.3 1 1452 135 135 ARG H H 7.096 0.03 1 1453 135 135 ARG CA C 58.728 0.5 1 1454 135 135 ARG HA H 4.320 0.03 1 1455 135 135 ARG CB C 30.354 0.5 1 1456 135 135 ARG HB2 H 1.955 0.03 2 1457 135 135 ARG HB3 H 2.115 0.03 2 1458 135 135 ARG CG C 27.352 0.5 1 1459 135 135 ARG HG2 H 1.617 0.03 2 1460 135 135 ARG CD C 43.555 0.5 1 1461 135 135 ARG HD2 H 3.295 0.03 2 1462 135 135 ARG HD3 H 3.299 0.03 2 1463 135 135 ARG C C 178.339 0.5 1 1464 136 136 LEU N N 120.702 0.3 1 1465 136 136 LEU H H 7.407 0.03 1 1466 136 136 LEU CA C 58.886 0.5 1 1467 136 136 LEU HA H 4.108 0.03 1 1468 136 136 LEU CB C 42.571 0.5 1 1469 136 136 LEU HB2 H 1.746 0.03 2 1470 136 136 LEU HB3 H 2.095 0.03 2 1471 136 136 LEU CG C 27.352 0.5 1 1472 136 136 LEU HG H 1.740 0.03 1 1473 136 136 LEU CD1 C 25.713 0.5 2 1474 136 136 LEU HD1 H 1.110 0.03 2 1475 136 136 LEU CD2 C 26.168 0.5 2 1476 136 136 LEU HD2 H 0.971 0.03 2 1477 136 136 LEU C C 178.682 0.5 1 1478 137 137 GLN N N 116.170 0.3 1 1479 137 137 GLN H H 8.777 0.03 1 1480 137 137 GLN CA C 59.674 0.5 1 1481 137 137 GLN HA H 4.095 0.03 1 1482 137 137 GLN CB C 28.699 0.5 1 1483 137 137 GLN HB2 H 2.155 0.03 2 1484 137 137 GLN HB3 H 2.284 0.03 2 1485 137 137 GLN CG C 34.673 0.5 1 1486 137 137 GLN HG2 H 2.563 0.03 2 1487 137 137 GLN C C 178.844 0.5 1 1488 138 138 SER N N 114.792 0.3 1 1489 138 138 SER H H 8.234 0.03 1 1490 138 138 SER CA C 61.881 0.5 1 1491 138 138 SER HA H 4.248 0.03 1 1492 138 138 SER CB C 62.748 0.5 1 1493 138 138 SER HB2 H 4.150 0.03 2 1494 138 138 SER HB3 H 4.148 0.03 2 1495 138 138 SER C C 177.907 0.5 1 1496 139 139 GLN N N 120.053 0.3 1 1497 139 139 GLN H H 8.473 0.03 1 1498 139 139 GLN CA C 58.886 0.5 1 1499 139 139 GLN HA H 4.148 0.03 1 1500 139 139 GLN CB C 27.516 0.5 1 1501 139 139 GLN HB2 H 2.420 0.03 2 1502 139 139 GLN HB3 H 2.400 0.03 2 1503 139 139 GLN CG C 34.582 0.5 1 1504 139 139 GLN HG2 H 2.523 0.03 2 1505 139 139 GLN HG3 H 2.742 0.03 2 1506 139 139 GLN C C 178.520 0.5 1 1507 140 140 HIS N N 122.531 0.3 1 1508 140 140 HIS H H 8.545 0.03 1 1509 140 140 HIS CA C 58.334 0.5 1 1510 140 140 HIS HA H 2.982 0.03 1 1511 140 140 HIS CB C 31.615 0.5 1 1512 140 140 HIS HB2 H 2.713 0.03 2 1513 140 140 HIS HB3 H 3.180 0.03 2 1514 140 140 HIS CD2 C 117.400 0.5 1 1515 140 140 HIS HD2 H 6.540 0.03 1 1516 140 140 HIS C C 177.204 0.5 1 1517 141 141 ARG N N 118.753 0.3 1 1518 141 141 ARG H H 7.946 0.03 1 1519 141 141 ARG CA C 59.595 0.5 1 1520 141 141 ARG HA H 3.910 0.03 1 1521 141 141 ARG CB C 29.881 0.5 1 1522 141 141 ARG HB2 H 1.924 0.03 2 1523 141 141 ARG HB3 H 2.000 0.03 2 1524 141 141 ARG HG2 H 1.650 0.03 2 1525 141 141 ARG CD C 43.423 0.5 1 1526 141 141 ARG HD2 H 3.210 0.03 2 1527 141 141 ARG HD3 H 3.190 0.03 2 1528 141 141 ARG C C 179.835 0.5 1 1529 142 142 GLN N N 119.325 0.3 1 1530 142 142 GLN H H 7.958 0.03 1 1531 142 142 GLN CA C 59.359 0.5 1 1532 142 142 GLN HA H 4.058 0.03 1 1533 142 142 GLN CB C 28.541 0.5 1 1534 142 142 GLN HB2 H 2.185 0.03 2 1535 142 142 GLN HB3 H 2.185 0.03 2 1536 142 142 GLN CG C 34.491 0.5 1 1537 142 142 GLN HG2 H 2.602 0.03 2 1538 142 142 GLN HG3 H 2.420 0.03 2 1539 142 142 GLN C C 178.574 0.5 1 1540 143 143 PHE N N 122.499 0.3 1 1541 143 143 PHE H H 8.113 0.03 1 1542 143 143 PHE CA C 61.014 0.5 1 1543 143 143 PHE HA H 4.210 0.03 1 1544 143 143 PHE CB C 38.630 0.5 1 1545 143 143 PHE HB2 H 3.121 0.03 2 1546 143 143 PHE HB3 H 3.290 0.03 2 1547 143 143 PHE CD1 C 132.800 0.5 3 1548 143 143 PHE HD1 H 6.890 0.03 3 1549 143 143 PHE CD2 C 132.800 0.5 3 1550 143 143 PHE HD2 H 6.890 0.03 3 1551 143 143 PHE C C 176.123 0.5 1 1552 144 144 GLN N N 118.346 0.3 1 1553 144 144 GLN H H 8.287 0.03 1 1554 144 144 GLN CA C 59.201 0.5 1 1555 144 144 GLN HA H 3.331 0.03 1 1556 144 144 GLN CB C 28.304 0.5 1 1557 144 144 GLN HB2 H 1.766 0.03 2 1558 144 144 GLN HB3 H 2.005 0.03 2 1559 144 144 GLN CG C 34.217 0.5 1 1560 144 144 GLN HG2 H 2.005 0.03 2 1561 144 144 GLN HG3 H 2.230 0.03 2 1562 144 144 GLN C C 178.610 0.5 1 1563 145 145 ALA N N 120.368 0.3 1 1564 145 145 ALA H H 7.546 0.03 1 1565 145 145 ALA CA C 54.315 0.5 1 1566 145 145 ALA HA H 4.065 0.03 1 1567 145 145 ALA CB C 17.979 0.5 1 1568 145 145 ALA HB H 1.446 0.03 1 1569 145 145 ALA C C 179.745 0.5 1 1570 146 146 ARG N N 118.635 0.3 1 1571 146 146 ARG H H 7.701 0.03 1 1572 146 146 ARG CA C 59.438 0.5 1 1573 146 146 ARG HA H 4.055 0.03 1 1574 146 146 ARG CB C 30.748 0.5 1 1575 146 146 ARG HB2 H 2.075 0.03 2 1576 146 146 ARG CG C 26.287 0.5 1 1577 146 146 ARG CD C 43.646 0.5 1 1578 146 146 ARG HD2 H 3.130 0.03 2 1579 146 146 ARG C C 178.916 0.5 1 1580 147 147 VAL N N 116.200 0.3 1 1581 147 147 VAL H H 7.600 0.03 1 1582 147 147 VAL CA C 64.167 0.5 1 1583 147 147 VAL HA H 3.480 0.03 1 1584 147 147 VAL CB C 31.221 0.5 1 1585 147 147 VAL HB H 1.457 0.03 1 1586 147 147 VAL CG2 C 20.707 0.5 2 1587 147 147 VAL HG2 H 0.123 0.03 2 1588 147 147 VAL HG1 H 0.320 0.03 2 1589 147 147 VAL C C 177.565 0.5 1 1590 148 148 SER N N 116.306 0.3 1 1591 148 148 SER H H 7.683 0.03 1 1592 148 148 SER CA C 60.226 0.5 1 1593 148 148 SER HA H 4.208 0.03 1 1594 148 148 SER CB C 63.379 0.5 1 1595 148 148 SER HB2 H 3.949 0.03 2 1596 148 148 SER HB3 H 3.959 0.03 2 1597 148 148 SER C C 175.492 0.5 1 1598 149 149 ARG N N 120.813 0.3 1 1599 149 149 ARG H H 7.794 0.03 1 1600 149 149 ARG CA C 57.940 0.5 1 1601 149 149 ARG HA H 4.158 0.03 1 1602 149 149 ARG CB C 29.960 0.5 1 1603 149 149 ARG HB2 H 1.896 0.03 2 1604 149 149 ARG C C 177.366 0.5 1 1605 150 150 GLN N N 117.878 0.3 1 1606 150 150 GLN H H 7.976 0.03 1 1607 150 150 GLN CA C 57.546 0.5 1 1608 150 150 GLN HA H 4.238 0.03 1 1609 150 150 GLN CB C 29.093 0.5 1 1610 150 150 GLN HB2 H 2.065 0.03 2 1611 150 150 GLN HB3 H 2.145 0.03 2 1612 150 150 GLN CG C 33.997 0.5 1 1613 150 150 GLN HG2 H 2.374 0.03 2 1614 150 150 GLN C C 177.276 0.5 1 1615 151 151 THR N N 114.329 0.3 1 1616 151 151 THR H H 7.877 0.03 1 1617 151 151 THR CA C 63.458 0.5 1 1618 151 151 THR HA H 4.230 0.03 1 1619 151 151 THR CB C 69.317 0.5 1 1620 151 151 THR HB H 4.214 0.03 1 1621 151 151 THR CG2 C 21.435 0.5 1 1622 151 151 THR HG2 H 1.200 0.03 1 1623 151 151 THR C C 174.898 0.5 1 1624 152 152 LEU N N 122.690 0.3 1 1625 152 152 LEU H H 7.856 0.03 1 1626 152 152 LEU CA C 56.285 0.5 1 1627 152 152 LEU HA H 4.277 0.03 1 1628 152 152 LEU CB C 42.019 0.5 1 1629 152 152 LEU HB2 H 1.716 0.03 2 1630 152 152 LEU HB3 H 1.636 0.03 2 1631 152 152 LEU CD1 C 24.985 0.5 2 1632 152 152 LEU HD1 H 0.911 0.03 2 1633 152 152 LEU HD2 H 0.898 0.03 2 1634 152 152 LEU C C 177.871 0.5 1 1635 153 153 LEU N N 120.929 0.3 1 1636 153 153 LEU H H 7.946 0.03 1 1637 153 153 LEU CA C 55.891 0.5 1 1638 153 153 LEU HA H 4.287 0.03 1 1639 153 153 LEU CB C 42.098 0.5 1 1640 153 153 LEU HB2 H 1.636 0.03 2 1641 153 153 LEU HB3 H 1.686 0.03 2 1642 153 153 LEU HD1 H 0.901 0.03 2 1643 153 153 LEU C C 177.511 0.5 1 1644 154 154 ALA N N 123.244 0.3 1 1645 154 154 ALA H H 7.891 0.03 1 1646 154 154 ALA CA C 52.975 0.5 1 1647 154 154 ALA HA H 4.320 0.03 1 1648 154 154 ALA CB C 18.846 0.5 1 1649 154 154 ALA HB H 1.467 0.03 1 1650 154 154 ALA C C 178.015 0.5 1 1651 155 155 LEU N N 120.252 0.3 1 1652 155 155 LEU H H 7.928 0.03 1 1653 155 155 LEU CA C 55.812 0.5 1 1654 155 155 LEU HA H 4.327 0.03 1 1655 155 155 LEU CB C 42.492 0.5 1 1656 155 155 LEU HB2 H 1.676 0.03 2 1657 155 155 LEU HB3 H 1.716 0.03 2 1658 155 155 LEU HD1 H 0.921 0.03 2 1659 155 155 LEU C C 177.727 0.5 1 1660 156 156 GLU N N 120.617 0.3 1 1661 156 156 GLU H H 8.166 0.03 1 1662 156 156 GLU CA C 57.152 0.5 1 1663 156 156 GLU CB C 30.196 0.5 1 1664 156 156 GLU C C 176.447 0.5 1 1665 157 157 LYS N N 121.331 0.3 1 1666 157 157 LYS H H 8.058 0.03 1 1667 157 157 LYS CA C 56.521 0.5 1 1668 157 157 LYS HA H 4.357 0.03 1 1669 157 157 LYS CB C 33.112 0.5 1 1670 157 157 LYS HB2 H 1.856 0.03 2 1671 157 157 LYS HB3 H 1.816 0.03 2 1672 157 157 LYS CG C 24.530 0.5 1 1673 157 157 LYS HG2 H 1.455 0.03 2 1674 157 157 LYS HG3 H 1.455 0.03 2 1675 157 157 LYS CD C 28.899 0.5 1 1676 157 157 LYS HD2 H 1.734 0.03 2 1677 157 157 LYS HD3 H 1.734 0.03 2 1678 157 157 LYS HE2 H 3.016 0.03 2 1679 157 157 LYS HE3 H 3.020 0.03 2 1680 157 157 LYS C C 176.465 0.5 1 1681 158 158 GLU N N 122.276 0.3 1 1682 158 158 GLU H H 8.370 0.03 1 1683 158 158 GLU CA C 56.994 0.5 1 1684 158 158 GLU HA H 4.317 0.03 1 1685 158 158 GLU CB C 30.117 0.5 1 1686 158 158 GLU HB2 H 2.075 0.03 2 1687 158 158 GLU HB3 H 2.005 0.03 2 1688 158 158 GLU CG C 36.314 0.5 1 1689 158 158 GLU C C 176.555 0.5 1 1690 159 159 GLU N N 121.284 0.3 1 1691 159 159 GLU H H 8.336 0.03 1 1692 159 159 GLU CA C 56.758 0.5 1 1693 159 159 GLU HA H 4.337 0.03 1 1694 159 159 GLU CB C 30.354 0.5 1 1695 159 159 GLU HB2 H 2.005 0.03 2 1696 159 159 GLU HB3 H 2.075 0.03 2 1697 159 159 GLU CG C 36.273 0.5 1 1698 159 159 GLU HG2 H 2.280 0.03 2 1699 159 159 GLU HG3 H 2.284 0.03 2 1700 159 159 GLU C C 176.375 0.5 1 1701 160 160 GLU N N 121.799 0.3 1 1702 160 160 GLU H H 8.313 0.03 1 1703 160 160 GLU CA C 56.443 0.5 1 1704 160 160 GLU HA H 4.337 0.03 1 1705 160 160 GLU CB C 30.590 0.5 1 1706 160 160 GLU HB2 H 1.995 0.03 2 1707 160 160 GLU HB3 H 2.075 0.03 2 1708 160 160 GLU CG C 36.273 0.5 1 1709 160 160 GLU HG2 H 2.280 0.03 2 1710 160 160 GLU HG3 H 2.284 0.03 2 1711 160 160 GLU C C 176.321 0.5 1 1712 161 161 GLU N N 121.951 0.3 1 1713 161 161 GLU H H 8.296 0.03 1 1714 161 161 GLU CA C 56.600 0.5 1 1715 161 161 GLU HA H 4.307 0.03 1 1716 161 161 GLU CB C 30.511 0.5 1 1717 161 161 GLU HB2 H 1.995 0.03 2 1718 161 161 GLU HB3 H 2.045 0.03 2 1719 161 161 GLU CG C 36.314 0.5 1 1720 161 161 GLU HG2 H 2.271 0.03 2 1721 161 161 GLU HG3 H 2.274 0.03 2 1722 161 161 GLU C C 176.231 0.5 1 1723 162 162 GLU N N 122.650 0.3 1 1724 162 162 GLU H H 8.332 0.03 1 1725 162 162 GLU CA C 56.600 0.5 1 1726 162 162 GLU HA H 4.297 0.03 1 1727 162 162 GLU CB C 30.590 0.5 1 1728 162 162 GLU HB2 H 1.945 0.03 2 1729 162 162 GLU HB3 H 1.945 0.03 2 1730 162 162 GLU CG C 36.273 0.5 1 1731 162 162 GLU HG2 H 2.194 0.03 2 1732 162 162 GLU HG3 H 2.145 0.03 2 1733 162 162 GLU C C 175.889 0.5 1 1734 163 163 VAL N N 121.548 0.3 1 1735 163 163 VAL H H 8.025 0.03 1 1736 163 163 VAL CA C 62.196 0.5 1 1737 163 163 VAL HA H 4.095 0.03 1 1738 163 163 VAL CB C 32.876 0.5 1 1739 163 163 VAL HB H 2.005 0.03 1 1740 163 163 VAL CG2 C 21.071 0.5 2 1741 163 163 VAL HG2 H 0.878 0.03 2 1742 163 163 VAL CG1 C 21.092 0.5 2 1743 163 163 VAL HG1 H 0.881 0.03 2 1744 163 163 VAL C C 175.636 0.5 1 1745 164 164 PHE N N 124.444 0.3 1 1746 164 164 PHE H H 8.275 0.03 1 1747 164 164 PHE CA C 57.546 0.5 1 1748 164 164 PHE HA H 4.726 0.03 1 1749 164 164 PHE CB C 39.812 0.5 1 1750 164 164 PHE HB2 H 3.042 0.03 2 1751 164 164 PHE HB3 H 3.181 0.03 2 1752 164 164 PHE CD1 C 132.200 0.5 3 1753 164 164 PHE HD1 H 6.890 0.03 3 1754 164 164 PHE CD2 C 132.200 0.5 3 1755 164 164 PHE HD2 H 6.890 0.03 3 1756 164 164 PHE C C 175.564 0.5 1 1757 165 165 GLU N N 123.033 0.3 1 1758 165 165 GLU H H 8.294 0.03 1 1759 165 165 GLU CA C 56.521 0.5 1 1760 165 165 GLU HA H 4.377 0.03 1 1761 165 165 GLU CB C 30.669 0.5 1 1762 165 165 GLU HB2 H 1.975 0.03 2 1763 165 165 GLU HB3 H 2.075 0.03 2 1764 165 165 GLU CG C 36.314 0.5 1 1765 165 165 GLU HG2 H 2.241 0.03 2 1766 165 165 GLU HG3 H 2.244 0.03 2 1767 165 165 GLU C C 175.925 0.5 1 1768 166 166 SER N N 117.524 0.3 1 1769 166 166 SER H H 8.249 0.03 1 1770 166 166 SER CA C 58.334 0.5 1 1771 166 166 SER HA H 4.527 0.03 1 1772 166 166 SER CB C 64.325 0.5 1 1773 166 166 SER HB2 H 3.931 0.03 2 1774 166 166 SER HB3 H 3.929 0.03 2 1775 166 166 SER C C 173.744 0.5 1 1776 167 167 SER N N 123.348 0.3 1 1777 167 167 SER H H 7.970 0.03 1 1778 167 167 SER CA C 60.147 0.5 1 1779 167 167 SER CB C 64.876 0.5 1 1780 167 167 SER C C 178.700 0.5 1 stop_ save_