data_5455 ####################### # Entry information # ####################### save_entry_information _Saveframe_category entry_information _Entry_title ; 1H, 13C and 15N resonance assignments of the human phosphatase PRL-3 ; _BMRB_accession_number 5455 _BMRB_flat_file_name bmr5455.str _Entry_type original _Submission_date 2002-07-04 _Accession_date 2002-07-08 _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 Kozlov Guennadi . . 2 Cheng Jing . . 3 Lievre Carine . . 4 Banville Denis . . 5 Gehring Kalle . . 6 Ekiel Irena . . stop_ loop_ _Saveframe_category_type _Saveframe_category_type_count assigned_chemical_shifts 1 stop_ loop_ _Data_type _Data_type_count "1H chemical shifts" 733 "13C chemical shifts" 588 "15N chemical shifts" 149 stop_ loop_ _Revision_date _Revision_keyword _Revision_author _Revision_detail 2003-06-09 original author 'original release' 2008-09-18 update BMRB 'Add relationship loop' stop_ loop_ _Related_BMRB_accession_number _Relationship 15949 'Assignments of the Reduced and Active Form' stop_ save_ ############################# # Citation for this entry # ############################# save_entry_citation _Saveframe_category entry_citation _Citation_full . _Citation_title ; Letter to the Editor: 1H, 13C and 15N Resonance Assignments of the Human Phosphatase PRL-3 ; _Citation_status published _Citation_type journal _CAS_abstract_code . _MEDLINE_UI_code 22382442 _PubMed_ID 12495037 loop_ _Author_ordinal _Author_family_name _Author_given_name _Author_middle_initials _Author_family_title 1 Kozlov Guennadi . . 2 Cheng Jing . . 3 Lievre Carine . . 4 Banville Denis . . 5 Gehring Kalle . . 6 Ekiel Irena . . stop_ _Journal_abbreviation 'J. Biomol. NMR' _Journal_volume 24 _Journal_issue 2 _Journal_CSD . _Book_chapter_title . _Book_volume . _Book_series . _Book_ISBN . _Conference_state_province . _Conference_abstract_number . _Page_first 169 _Page_last 170 _Year 2002 _Details . loop_ _Keyword 'dual-specificity phosphatase' 'NMR resonance assignment' PRL-3 stop_ save_ ################################## # Molecular system description # ################################## save_system_PRL-3 _Saveframe_category molecular_system _Mol_system_name PRL-3 _Abbreviation_common PRL-3 _Enzyme_commission_number 3.1.3.16 loop_ _Mol_system_component_name _Mol_label 'PRL-3 subunit 1' $PRL-3 stop_ _System_molecular_weight . _System_physical_state native _System_oligomer_state monomer _System_paramagnetic no _System_thiol_state 'all free' loop_ _Biological_function phosphatase stop_ _Database_query_date . _Details . save_ ######################## # Monomeric polymers # ######################## save_PRL-3 _Saveframe_category monomeric_polymer _Mol_type polymer _Mol_polymer_class protein _Name_common PRL-3 _Abbreviation_common PRL-3 _Molecular_mass 19383 _Mol_thiol_state 'all free' _Details . ############################## # Polymer residue sequence # ############################## _Residue_count 172 _Mol_residue_sequence ; GSHMARMNRPAPVEVSYKHM RFLITHNPTNATLSTFIEDL KKYGATTVVRVCEVTYDKTP LEKDGITVVDWPFDDGAPPP GKVVEDWLSLVKAKFCEAPG SCVAVHCVAGLGRAPVLVAL ALIESGMKYEDAIQFIRQKR RGAINSKQLTYLEKYRPKQR LRFKDPHTHKTR ; loop_ _Residue_seq_code _Residue_label 1 GLY 2 SER 3 HIS 4 MET 5 ALA 6 ARG 7 MET 8 ASN 9 ARG 10 PRO 11 ALA 12 PRO 13 VAL 14 GLU 15 VAL 16 SER 17 TYR 18 LYS 19 HIS 20 MET 21 ARG 22 PHE 23 LEU 24 ILE 25 THR 26 HIS 27 ASN 28 PRO 29 THR 30 ASN 31 ALA 32 THR 33 LEU 34 SER 35 THR 36 PHE 37 ILE 38 GLU 39 ASP 40 LEU 41 LYS 42 LYS 43 TYR 44 GLY 45 ALA 46 THR 47 THR 48 VAL 49 VAL 50 ARG 51 VAL 52 CYS 53 GLU 54 VAL 55 THR 56 TYR 57 ASP 58 LYS 59 THR 60 PRO 61 LEU 62 GLU 63 LYS 64 ASP 65 GLY 66 ILE 67 THR 68 VAL 69 VAL 70 ASP 71 TRP 72 PRO 73 PHE 74 ASP 75 ASP 76 GLY 77 ALA 78 PRO 79 PRO 80 PRO 81 GLY 82 LYS 83 VAL 84 VAL 85 GLU 86 ASP 87 TRP 88 LEU 89 SER 90 LEU 91 VAL 92 LYS 93 ALA 94 LYS 95 PHE 96 CYS 97 GLU 98 ALA 99 PRO 100 GLY 101 SER 102 CYS 103 VAL 104 ALA 105 VAL 106 HIS 107 CYS 108 VAL 109 ALA 110 GLY 111 LEU 112 GLY 113 ARG 114 ALA 115 PRO 116 VAL 117 LEU 118 VAL 119 ALA 120 LEU 121 ALA 122 LEU 123 ILE 124 GLU 125 SER 126 GLY 127 MET 128 LYS 129 TYR 130 GLU 131 ASP 132 ALA 133 ILE 134 GLN 135 PHE 136 ILE 137 ARG 138 GLN 139 LYS 140 ARG 141 ARG 142 GLY 143 ALA 144 ILE 145 ASN 146 SER 147 LYS 148 GLN 149 LEU 150 THR 151 TYR 152 LEU 153 GLU 154 LYS 155 TYR 156 ARG 157 PRO 158 LYS 159 GLN 160 ARG 161 LEU 162 ARG 163 PHE 164 LYS 165 ASP 166 PRO 167 HIS 168 THR 169 HIS 170 LYS 171 THR 172 ARG stop_ _Sequence_homology_query_date . _Sequence_homology_query_revised_last_date 2015-01-28 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 19395 holo-PRL-3_in_complex_with_vanadate 94.19 162 100.00 100.00 5.91e-116 PDB 1R6H "Solution Structure Of Human Prl-3" 100.00 172 100.00 100.00 1.07e-124 PDB 1V3A "Structure Of Human Prl-3, The Phosphatase Associated With Cancer Metastasis" 98.26 173 100.00 100.00 1.24e-121 PDB 2MBC "Solution Structure Of Human Holo-prl-3 In Complex With Vanadate" 94.19 162 100.00 100.00 5.91e-116 DBJ BAJ20896 "protein tyrosine phosphatase type IVA, member 3 [synthetic construct]" 98.26 173 100.00 100.00 1.24e-121 GB AAC29314 "hPRL-3 [Homo sapiens]" 98.26 173 99.41 99.41 1.05e-120 GB EHH25482 "Protein tyrosine phosphatase type IVA 3 [Macaca mulatta]" 98.26 173 100.00 100.00 1.24e-121 GB EHH64453 "Protein tyrosine phosphatase type IVA 3 [Macaca fascicularis]" 98.26 173 100.00 100.00 1.24e-121 REF NP_001180623 "protein tyrosine phosphatase type IVA 3 [Macaca mulatta]" 98.26 173 100.00 100.00 1.24e-121 REF NP_116000 "protein tyrosine phosphatase type IVA 3 isoform 1 [Homo sapiens]" 98.26 173 100.00 100.00 1.24e-121 REF XP_002819531 "PREDICTED: protein tyrosine phosphatase type IVA 3 isoform X1 [Pongo abelii]" 98.26 173 99.41 100.00 3.98e-121 REF XP_003819536 "PREDICTED: protein tyrosine phosphatase type IVA 3 isoform X1 [Pan paniscus]" 98.26 173 99.41 100.00 4.84e-121 REF XP_003903255 "PREDICTED: protein tyrosine phosphatase type IVA 3 isoform X1 [Papio anubis]" 98.26 173 100.00 100.00 1.24e-121 SP O75365 "RecName: Full=Protein tyrosine phosphatase type IVA 3; AltName: Full=PRL-R; AltName: Full=Protein-tyrosine phosphatase 4a3; Alt" 98.26 173 100.00 100.00 1.24e-121 stop_ save_ #################### # Natural source # #################### save_natural_source _Saveframe_category natural_source loop_ _Mol_label _Organism_name_common _NCBI_taxonomy_ID _Superkingdom _Kingdom _Genus _Species _Fraction $PRL-3 Human 9606 Eukaryota Metazoa Homo sapiens cytoplasmic 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 $PRL-3 'recombinant technology' 'E. coli' Escherichia coli K12 . 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 _Concentration_min_value _Concentration_max_value _Isotopic_labeling $PRL-3 . mM 2.5 3.0 '[U-15N; U-13C]' stop_ save_ ############################ # Computer software used # ############################ save_XEASY _Saveframe_category software _Name XEASY _Version . loop_ _Task assignments stop_ _Details 'Bartels et al., J. BIomol. NMR 5:1-10 (1995)' save_ save_GIFA _Saveframe_category software _Name GIFA _Version . loop_ _Task processing stop_ _Details 'Pons et al., J. Biomol. NMR 8:445-452 (1996)' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _Saveframe_category NMR_spectrometer _Manufacturer Bruker _Model DRX _Field_strength 500 _Details . save_ ############################# # NMR applied experiments # ############################# save_HNCACB_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _Sample_label . save_ save_CBCACONH_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _Sample_label . save_ save_HNCO_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _Sample_label . save_ save_HNCA_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _Sample_label . save_ save_1H-13C_HSQC_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _Sample_label . save_ save_3D_HCCH-TOCSY_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _Sample_label . save_ save_1H-15N_TOCSY_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _Sample_label . save_ save_1H-15N_NOESY_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _Sample_label . save_ save_NMR_spec_expt__0_1 _Saveframe_category NMR_applied_experiment _Experiment_name HNCACB _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_2 _Saveframe_category NMR_applied_experiment _Experiment_name CBCACONH _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_3 _Saveframe_category NMR_applied_experiment _Experiment_name HNCO _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_4 _Saveframe_category NMR_applied_experiment _Experiment_name HNCA _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_5 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-13C HSQC' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_6 _Saveframe_category NMR_applied_experiment _Experiment_name '3D HCCH-TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_7 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N TOCSY' _BMRB_pulse_sequence_accession_number . _Details . save_ save_NMR_spec_expt__0_8 _Saveframe_category NMR_applied_experiment _Experiment_name '1H-15N NOESY' _BMRB_pulse_sequence_accession_number . _Details . save_ ####################### # Sample conditions # ####################### save_cond1 _Saveframe_category sample_conditions _Details . loop_ _Variable_type _Variable_value _Variable_value_error _Variable_value_units 'ionic strength' 0.15 0.02 M pH 6.8 0.1 n/a temperature 308 1 K stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _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 0.0 . indirect . . . 0.251449530 DSS H 1 'methyl protons' ppm 0.0 internal direct . . . 1.0 DSS N 15 'methyl protons' ppm 0.0 . 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_shift_1 _Saveframe_category assigned_chemical_shifts _Details . loop_ _Sample_label $sample_1 stop_ _Sample_conditions_label $cond1 _Chem_shift_reference_set_label $chemical_shift_reference _Mol_system_component_name 'PRL-3 subunit 1' _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 MET CA C 55.4 0.20 1 2 . 4 MET CB C 33.1 0.20 1 3 . 4 MET C C 177.5 0.20 1 4 . 5 ALA N N 126.5 0.25 1 5 . 5 ALA H H 8.25 0.01 1 6 . 5 ALA CA C 52.6 0.20 1 7 . 5 ALA HA H 4.31 0.01 1 8 . 5 ALA CB C 19.4 0.20 1 9 . 5 ALA HB H 1.36 0.01 1 10 . 5 ALA C C 177.3 0.20 1 11 . 6 ARG N N 126.0 0.25 1 12 . 6 ARG H H 7.85 0.01 1 13 . 6 ARG CA C 57.5 0.20 1 14 . 6 ARG HA H 4.14 0.01 1 15 . 6 ARG CB C 31.8 0.20 1 16 . 6 ARG HB2 H 1.81 0.01 2 17 . 6 ARG HG2 H 1.69 0.01 2 18 . 6 ARG HD2 H 3.17 0.01 2 19 . 8 ASN CA C 53.6 0.20 1 20 . 8 ASN CB C 41.6 0.20 1 21 . 8 ASN C C 176.6 0.20 1 22 . 9 ARG N N 120.7 0.25 1 23 . 9 ARG H H 7.36 0.01 1 24 . 9 ARG CA C 56.3 0.20 1 25 . 9 ARG HA H 4.11 0.01 1 26 . 9 ARG CB C 31.2 0.20 1 27 . 9 ARG HB2 H 1.73 0.01 2 28 . 9 ARG HG2 H 1.54 0.01 2 29 . 10 PRO CD C 50.7 0.20 1 30 . 10 PRO CA C 62.9 0.20 1 31 . 10 PRO CB C 31.9 0.20 1 32 . 10 PRO CG C 27.1 0.20 1 33 . 10 PRO C C 176.9 0.20 1 34 . 11 ALA N N 127.0 0.25 1 35 . 11 ALA H H 8.37 0.01 1 36 . 11 ALA CA C 50.5 0.20 1 37 . 11 ALA HA H 4.34 0.01 1 38 . 11 ALA CB C 18.3 0.20 1 39 . 11 ALA HB H 1.42 0.01 1 40 . 12 PRO CD C 50.7 0.20 1 41 . 12 PRO CA C 62.8 0.20 1 42 . 12 PRO CB C 32.7 0.20 1 43 . 12 PRO CG C 26.9 0.20 1 44 . 12 PRO C C 176.3 0.20 1 45 . 13 VAL N N 118.7 0.25 1 46 . 13 VAL H H 8.06 0.01 1 47 . 13 VAL CA C 60.9 0.20 1 48 . 13 VAL HA H 4.32 0.01 1 49 . 13 VAL CB C 34.9 0.20 1 50 . 13 VAL HB H 1.97 0.01 1 51 . 13 VAL CG1 C 21.4 0.20 1 52 . 13 VAL HG1 H 0.98 0.01 2 53 . 13 VAL HG2 H 0.84 0.01 2 54 . 13 VAL C C 174.3 0.20 1 55 . 14 GLU N N 129.7 0.25 1 56 . 14 GLU H H 8.66 0.01 1 57 . 14 GLU CA C 54.9 0.20 1 58 . 14 GLU HA H 5.07 0.01 1 59 . 14 GLU CB C 32.3 0.20 1 60 . 14 GLU HB2 H 2.09 0.01 2 61 . 14 GLU HB3 H 1.67 0.01 2 62 . 14 GLU CG C 37.3 0.20 1 63 . 14 GLU HG2 H 2.05 0.01 2 64 . 14 GLU C C 176.5 0.20 1 65 . 15 VAL N N 127.2 0.25 1 66 . 15 VAL H H 9.22 0.01 1 67 . 15 VAL CA C 61.8 0.20 1 68 . 15 VAL HA H 4.28 0.01 1 69 . 15 VAL CB C 34.6 0.20 1 70 . 15 VAL HB H 2.08 0.01 1 71 . 15 VAL CG1 C 21.1 0.20 1 72 . 15 VAL HG1 H 0.81 0.01 2 73 . 15 VAL CG2 C 20.7 0.20 1 74 . 15 VAL C C 175.0 0.20 1 75 . 16 SER N N 123.5 0.25 1 76 . 16 SER H H 8.93 0.01 1 77 . 16 SER CA C 56.5 0.20 1 78 . 16 SER HA H 5.31 0.01 1 79 . 16 SER CB C 65.1 0.20 1 80 . 16 SER HB2 H 3.84 0.01 2 81 . 16 SER HB3 H 3.77 0.01 2 82 . 16 SER C C 174.2 0.20 1 83 . 17 TYR N N 124.7 0.25 1 84 . 17 TYR H H 8.31 0.01 1 85 . 17 TYR CA C 58.3 0.20 1 86 . 17 TYR HA H 4.51 0.01 1 87 . 17 TYR CB C 41.7 0.20 1 88 . 17 TYR HB2 H 2.98 0.01 2 89 . 17 TYR HB3 H 2.30 0.01 2 90 . 17 TYR HD1 H 6.92 0.01 3 91 . 17 TYR HE1 H 6.76 0.01 3 92 . 17 TYR C C 174.0 0.20 1 93 . 18 LYS N N 125.5 0.25 1 94 . 18 LYS H H 8.76 0.01 1 95 . 18 LYS CA C 58.4 0.20 1 96 . 18 LYS HA H 3.35 0.01 1 97 . 18 LYS CB C 30.1 0.20 1 98 . 18 LYS HB2 H 1.60 0.01 2 99 . 18 LYS CG C 24.9 0.20 1 100 . 18 LYS HG2 H 0.64 0.01 2 101 . 18 LYS HG3 H 0.31 0.01 2 102 . 18 LYS HD2 H 1.45 0.01 2 103 . 18 LYS HE2 H 2.86 0.01 2 104 . 18 LYS HE3 H 2.81 0.01 2 105 . 18 LYS C C 176.6 0.20 1 106 . 19 HIS N N 121.0 0.25 1 107 . 19 HIS H H 8.78 0.01 1 108 . 19 HIS CA C 56.9 0.20 1 109 . 19 HIS HA H 4.42 0.01 1 110 . 19 HIS CB C 30.1 0.20 1 111 . 19 HIS HB2 H 3.07 0.01 2 112 . 19 HIS HB3 H 2.83 0.01 2 113 . 19 HIS C C 175.1 0.20 1 114 . 20 MET N N 120.0 0.25 1 115 . 20 MET H H 8.06 0.01 1 116 . 20 MET CA C 54.9 0.20 1 117 . 20 MET HA H 2.37 0.01 1 118 . 20 MET CB C 35.1 0.20 1 119 . 20 MET HB2 H 2.04 0.01 2 120 . 20 MET HB3 H 0.98 0.01 2 121 . 20 MET HG2 H 1.53 0.01 2 122 . 20 MET HG3 H 1.37 0.01 2 123 . 20 MET C C 175.6 0.20 1 124 . 21 ARG N N 121.5 0.25 1 125 . 21 ARG H H 5.88 0.01 1 126 . 21 ARG CA C 56.9 0.20 1 127 . 21 ARG HA H 4.83 0.01 1 128 . 21 ARG CB C 34.0 0.20 1 129 . 21 ARG HB2 H 1.75 0.01 2 130 . 21 ARG CG C 27.9 0.20 1 131 . 21 ARG HG2 H 1.52 0.01 2 132 . 21 ARG HG3 H 1.48 0.01 2 133 . 21 ARG CD C 43.8 0.20 1 134 . 21 ARG HD2 H 3.01 0.01 2 135 . 21 ARG HD3 H 3.42 0.01 2 136 . 21 ARG C C 174.1 0.20 1 137 . 22 PHE N N 121.5 0.25 1 138 . 22 PHE H H 9.15 0.01 1 139 . 22 PHE CA C 55.7 0.20 1 140 . 22 PHE HA H 6.00 0.01 1 141 . 22 PHE CB C 43.7 0.20 1 142 . 22 PHE HB2 H 3.12 0.01 2 143 . 22 PHE HB3 H 2.83 0.01 2 144 . 22 PHE HD1 H 7.43 0.01 3 145 . 22 PHE HE1 H 7.25 0.01 3 146 . 22 PHE C C 175.2 0.20 1 147 . 23 LEU N N 124.2 0.25 1 148 . 23 LEU H H 8.59 0.01 1 149 . 23 LEU CA C 52.7 0.20 1 150 . 23 LEU HA H 5.07 0.01 1 151 . 23 LEU CB C 46.9 0.20 1 152 . 23 LEU HB2 H 1.55 0.01 2 153 . 23 LEU HB3 H 1.02 0.01 2 154 . 23 LEU HG H 1.01 0.01 1 155 . 23 LEU CD1 C 24.7 0.20 2 156 . 23 LEU HD1 H 0.36 0.01 2 157 . 23 LEU CD2 C 22.3 0.20 2 158 . 23 LEU HD2 H 0.00 0.01 2 159 . 23 LEU C C 176.3 0.20 1 160 . 24 ILE N N 126.7 0.25 1 161 . 24 ILE H H 9.27 0.01 1 162 . 24 ILE CA C 61.0 0.20 1 163 . 24 ILE HA H 5.06 0.01 1 164 . 24 ILE CB C 38.4 0.20 1 165 . 24 ILE HB H 1.81 0.01 1 166 . 24 ILE CG2 C 17.5 0.20 2 167 . 24 ILE HG2 H 0.84 0.01 1 168 . 24 ILE HG12 H 1.64 0.01 2 169 . 24 ILE CD1 C 13.3 0.20 1 170 . 24 ILE HD1 H 0.66 0.01 1 171 . 24 ILE C C 177.5 0.20 1 172 . 25 THR N N 119.5 0.25 1 173 . 25 THR H H 7.86 0.01 1 174 . 25 THR CA C 59.9 0.20 1 175 . 25 THR HA H 4.93 0.01 1 176 . 25 THR CB C 70.9 0.20 1 177 . 25 THR HB H 4.27 0.01 1 178 . 25 THR CG2 C 20.0 0.20 1 179 . 25 THR HG2 H 1.01 0.01 1 180 . 25 THR C C 173.5 0.20 1 181 . 26 HIS N N 118.2 0.25 1 182 . 26 HIS H H 8.30 0.01 1 183 . 26 HIS CA C 54.9 0.20 1 184 . 26 HIS HA H 4.69 0.01 1 185 . 26 HIS CB C 31.6 0.20 1 186 . 26 HIS HB2 H 3.21 0.01 2 187 . 26 HIS HB3 H 2.84 0.01 2 188 . 26 HIS C C 174.0 0.20 1 189 . 27 ASN N N 118.7 0.25 1 190 . 27 ASN H H 8.00 0.01 1 191 . 27 ASN CA C 50.4 0.20 1 192 . 27 ASN HA H 4.21 0.01 1 193 . 27 ASN CB C 39.8 0.20 1 194 . 27 ASN HB2 H 3.23 0.01 2 195 . 27 ASN HB3 H 2.88 0.01 2 196 . 28 PRO CA C 62.0 0.20 1 197 . 28 PRO HA H 4.22 0.01 1 198 . 28 PRO CB C 32.2 0.20 1 199 . 28 PRO HB2 H 1.13 0.01 2 200 . 28 PRO HB3 H 1.04 0.01 2 201 . 28 PRO CG C 23.6 0.20 1 202 . 28 PRO HG2 H -0.38 0.01 2 203 . 28 PRO HG3 H -0.73 0.01 2 204 . 28 PRO HD2 H 2.87 0.01 2 205 . 28 PRO HD3 H 2.27 0.01 2 206 . 28 PRO C C 174.2 0.20 1 207 . 29 THR N N 104.5 0.25 1 208 . 29 THR H H 6.82 0.01 1 209 . 29 THR CA C 58.9 0.20 1 210 . 29 THR HA H 4.57 0.01 1 211 . 29 THR CB C 72.6 0.20 1 212 . 29 THR HB H 4.20 0.01 1 213 . 29 THR HG2 H 1.13 0.01 1 214 . 30 ASN CA C 55.8 0.20 1 215 . 30 ASN HA H 5.02 0.01 1 216 . 30 ASN CB C 45.9 0.20 1 217 . 30 ASN HB2 H 3.02 0.01 2 218 . 31 ALA CA C 54.1 0.20 1 219 . 31 ALA HA H 4.33 0.01 1 220 . 31 ALA CB C 19.3 0.20 1 221 . 31 ALA HB H 1.46 0.01 1 222 . 31 ALA C C 180.1 0.20 1 223 . 32 THR N N 107.5 0.25 1 224 . 32 THR H H 7.58 0.01 1 225 . 32 THR CA C 60.6 0.20 1 226 . 32 THR HA H 4.82 0.01 1 227 . 32 THR CB C 69.3 0.20 1 228 . 32 THR HB H 4.64 0.01 1 229 . 32 THR CG2 C 21.8 0.20 1 230 . 32 THR HG2 H 1.09 0.01 1 231 . 32 THR C C 176.4 0.20 1 232 . 33 LEU N N 124.7 0.25 1 233 . 33 LEU H H 7.34 0.01 1 234 . 33 LEU CA C 57.8 0.20 1 235 . 33 LEU HA H 3.99 0.01 1 236 . 33 LEU CB C 42.5 0.20 1 237 . 33 LEU HB2 H 1.84 0.01 2 238 . 33 LEU HB3 H 1.63 0.01 2 239 . 33 LEU HG H 1.85 0.01 1 240 . 33 LEU CD1 C 26.4 0.20 2 241 . 33 LEU HD1 H 0.79 0.01 2 242 . 33 LEU CD2 C 24.9 0.20 2 243 . 33 LEU HD2 H 0.73 0.01 2 244 . 33 LEU C C 179.5 0.20 1 245 . 34 SER N N 114.0 0.25 1 246 . 34 SER H H 8.75 0.01 1 247 . 34 SER CA C 61.9 0.20 1 248 . 34 SER HA H 4.12 0.01 1 249 . 34 SER CB C 62.1 0.20 1 250 . 34 SER HB2 H 3.95 0.01 2 251 . 34 SER C C 178.4 0.20 1 252 . 35 THR N N 117.0 0.25 1 253 . 35 THR H H 7.51 0.01 1 254 . 35 THR CA C 65.3 0.20 1 255 . 35 THR HA H 4.32 0.01 1 256 . 35 THR CB C 68.8 0.20 1 257 . 35 THR HB H 4.10 0.01 1 258 . 35 THR CG2 C 22.5 0.20 1 259 . 35 THR HG2 H 1.29 0.01 1 260 . 35 THR C C 176.2 0.20 1 261 . 36 PHE N N 125.0 0.25 1 262 . 36 PHE H H 7.64 0.01 1 263 . 36 PHE CA C 61.1 0.20 1 264 . 36 PHE HA H 4.46 0.01 1 265 . 36 PHE CB C 39.9 0.20 1 266 . 36 PHE HB2 H 3.30 0.01 2 267 . 36 PHE HB3 H 3.16 0.01 2 268 . 36 PHE HD1 H 6.98 0.01 3 269 . 36 PHE HE1 H 7.20 0.01 3 270 . 36 PHE HZ H 7.36 0.01 1 271 . 36 PHE C C 178.2 0.20 1 272 . 37 ILE N N 118.5 0.25 1 273 . 37 ILE H H 8.59 0.01 1 274 . 37 ILE CA C 66.3 0.20 1 275 . 37 ILE HA H 3.30 0.01 1 276 . 37 ILE CB C 38.6 0.20 1 277 . 37 ILE HB H 1.90 0.01 1 278 . 37 ILE CG2 C 17.5 0.20 2 279 . 37 ILE HG2 H 0.91 0.01 1 280 . 37 ILE HG12 H 1.95 0.01 2 281 . 37 ILE HG13 H 0.84 0.01 2 282 . 37 ILE CD1 C 13.7 0.20 1 283 . 37 ILE HD1 H 0.86 0.01 1 284 . 37 ILE C C 178.2 0.20 1 285 . 38 GLU N N 119.0 0.25 1 286 . 38 GLU H H 7.52 0.01 1 287 . 38 GLU CA C 59.9 0.20 1 288 . 38 GLU HA H 3.90 0.01 1 289 . 38 GLU CB C 29.6 0.20 1 290 . 38 GLU HB2 H 2.23 0.01 2 291 . 38 GLU HB3 H 2.15 0.01 2 292 . 38 GLU CG C 36.5 0.20 1 293 . 38 GLU HG2 H 2.42 0.01 2 294 . 38 GLU C C 180.5 0.20 1 295 . 39 ASP N N 121.5 0.25 1 296 . 39 ASP H H 8.09 0.01 1 297 . 39 ASP CA C 58.0 0.20 1 298 . 39 ASP HA H 4.53 0.01 1 299 . 39 ASP CB C 40.3 0.20 1 300 . 39 ASP HB2 H 2.93 0.01 2 301 . 39 ASP HB3 H 2.34 0.01 2 302 . 39 ASP C C 179.0 0.20 1 303 . 40 LEU N N 119.7 0.25 1 304 . 40 LEU H H 8.00 0.01 1 305 . 40 LEU CA C 58.8 0.20 1 306 . 40 LEU HA H 3.74 0.01 1 307 . 40 LEU CB C 40.2 0.20 1 308 . 40 LEU HB2 H 1.88 0.01 2 309 . 40 LEU HB3 H 1.42 0.01 2 310 . 40 LEU CG C 27.1 0.20 1 311 . 40 LEU HG H 1.32 0.01 1 312 . 40 LEU CD1 C 27.0 0.20 2 313 . 40 LEU HD1 H 0.35 0.01 2 314 . 40 LEU CD2 C 22.0 0.20 2 315 . 40 LEU HD2 H 0.30 0.01 2 316 . 40 LEU C C 180.9 0.20 1 317 . 41 LYS N N 118.0 0.25 1 318 . 41 LYS H H 8.25 0.01 1 319 . 41 LYS CA C 56.7 0.20 1 320 . 41 LYS HA H 4.09 0.01 1 321 . 41 LYS CB C 32.4 0.20 1 322 . 41 LYS HB2 H 1.86 0.01 2 323 . 41 LYS HB3 H 1.63 0.01 2 324 . 41 LYS HG2 H 1.42 0.01 2 325 . 41 LYS C C 181.4 0.20 1 326 . 42 LYS N N 122.2 0.25 1 327 . 42 LYS H H 8.11 0.01 1 328 . 42 LYS CA C 59.5 0.20 1 329 . 42 LYS HA H 3.91 0.01 1 330 . 42 LYS CB C 32.2 0.20 1 331 . 42 LYS HB2 H 1.87 0.01 2 332 . 42 LYS CG C 24.7 0.20 1 333 . 42 LYS HG2 H 1.30 0.01 2 334 . 42 LYS HG3 H 0.97 0.01 2 335 . 42 LYS C C 179.1 0.20 1 336 . 43 TYR N N 114.7 0.25 1 337 . 43 TYR H H 7.61 0.01 1 338 . 43 TYR CA C 59.7 0.20 1 339 . 43 TYR HA H 4.38 0.01 1 340 . 43 TYR CB C 39.8 0.20 1 341 . 43 TYR HB2 H 3.23 0.01 2 342 . 43 TYR HB3 H 2.62 0.01 2 343 . 43 TYR HD1 H 7.37 0.01 3 344 . 43 TYR HE1 H 6.70 0.01 3 345 . 43 TYR C C 176.6 0.20 1 346 . 44 GLY N N 110.0 0.25 1 347 . 44 GLY H H 7.85 0.01 1 348 . 44 GLY CA C 46.9 0.20 1 349 . 44 GLY HA2 H 4.07 0.01 2 350 . 44 GLY HA3 H 3.86 0.01 2 351 . 44 GLY C C 176.2 0.20 1 352 . 45 ALA N N 123.7 0.25 1 353 . 45 ALA H H 8.48 0.01 1 354 . 45 ALA CA C 51.4 0.20 1 355 . 45 ALA HA H 5.07 0.01 1 356 . 45 ALA CB C 20.0 0.20 1 357 . 45 ALA HB H 1.25 0.01 1 358 . 45 ALA C C 177.5 0.20 1 359 . 46 THR N N 110.0 0.25 1 360 . 46 THR H H 7.86 0.01 1 361 . 46 THR CA C 61.4 0.20 1 362 . 46 THR HA H 4.42 0.01 1 363 . 46 THR CB C 69.3 0.20 1 364 . 46 THR HB H 3.77 0.01 1 365 . 46 THR CG2 C 21.7 0.20 1 366 . 46 THR HG2 H 1.21 0.01 1 367 . 46 THR C C 174.8 0.20 1 368 . 47 THR N N 118.5 0.25 1 369 . 47 THR H H 7.40 0.01 1 370 . 47 THR CA C 62.1 0.20 1 371 . 47 THR HA H 5.21 0.01 1 372 . 47 THR CB C 73.0 0.20 1 373 . 47 THR HB H 3.76 0.01 1 374 . 47 THR HG2 H 1.07 0.01 1 375 . 47 THR C C 172.9 0.20 1 376 . 48 VAL N N 127.7 0.25 1 377 . 48 VAL H H 9.40 0.01 1 378 . 48 VAL CA C 60.6 0.20 1 379 . 48 VAL HA H 4.73 0.01 1 380 . 48 VAL CB C 35.3 0.20 1 381 . 48 VAL HB H 2.00 0.01 1 382 . 48 VAL CG1 C 22.9 0.20 1 383 . 48 VAL HG1 H 1.07 0.01 2 384 . 48 VAL CG2 C 21.1 0.20 1 385 . 48 VAL HG2 H 0.90 0.01 2 386 . 48 VAL C C 173.8 0.20 1 387 . 49 VAL N N 129.2 0.25 1 388 . 49 VAL H H 9.30 0.01 1 389 . 49 VAL CA C 61.3 0.20 1 390 . 49 VAL HA H 4.30 0.01 1 391 . 49 VAL CB C 32.2 0.20 1 392 . 49 VAL HB H 2.17 0.01 1 393 . 49 VAL CG1 C 21.7 0.20 1 394 . 49 VAL HG1 H 0.86 0.01 2 395 . 49 VAL C C 174.0 0.20 1 396 . 50 ARG N N 129.8 0.25 1 397 . 50 ARG H H 9.03 0.01 1 398 . 50 ARG CA C 55.7 0.20 1 399 . 50 ARG HA H 3.94 0.01 1 400 . 50 ARG CB C 31.1 0.20 1 401 . 50 ARG HB2 H 1.56 0.01 2 402 . 50 ARG HB3 H 1.52 0.01 2 403 . 50 ARG CG C 25.9 0.20 1 404 . 50 ARG HG2 H 1.88 0.01 2 405 . 50 ARG HG3 H 1.28 0.01 2 406 . 50 ARG HD2 H 3.21 0.01 2 407 . 50 ARG C C 176.5 0.20 1 408 . 51 VAL N N 117.7 0.25 1 409 . 51 VAL H H 7.54 0.01 1 410 . 51 VAL CA C 59.1 0.20 1 411 . 51 VAL HA H 4.71 0.01 1 412 . 51 VAL CB C 29.8 0.20 1 413 . 51 VAL HB H 2.45 0.01 1 414 . 51 VAL CG1 C 21.9 0.20 1 415 . 51 VAL HG1 H 0.87 0.01 2 416 . 51 VAL CG2 C 19.7 0.20 1 417 . 51 VAL HG2 H 0.39 0.01 2 418 . 51 VAL C C 174.1 0.20 1 419 . 52 CYS N N 111.7 0.25 1 420 . 52 CYS H H 6.88 0.01 1 421 . 52 CYS CA C 54.1 0.20 1 422 . 52 CYS HA H 4.96 0.01 1 423 . 52 CYS CB C 33.9 0.20 1 424 . 52 CYS HB2 H 3.33 0.01 2 425 . 52 CYS HB3 H 2.24 0.01 2 426 . 52 CYS C C 172.2 0.20 1 427 . 53 GLU N N 118.0 0.25 1 428 . 53 GLU H H 8.86 0.01 1 429 . 53 GLU CA C 56.4 0.20 1 430 . 53 GLU HA H 4.05 0.01 1 431 . 53 GLU CB C 29.6 0.20 1 432 . 53 GLU HB2 H 1.93 0.01 2 433 . 53 GLU CG C 35.6 0.20 1 434 . 53 GLU HG2 H 2.22 0.01 2 435 . 53 GLU C C 176.7 0.20 1 436 . 54 VAL N N 122.7 0.25 1 437 . 54 VAL H H 8.31 0.01 1 438 . 54 VAL CA C 64.0 0.20 1 439 . 54 VAL HA H 3.48 0.01 1 440 . 54 VAL CB C 32.2 0.20 1 441 . 54 VAL HB H 1.92 0.01 1 442 . 54 VAL CG1 C 21.2 0.20 1 443 . 54 VAL HG1 H 0.83 0.01 2 444 . 54 VAL C C 178.3 0.20 1 445 . 55 THR N N 118.0 0.25 1 446 . 55 THR H H 8.90 0.01 1 447 . 55 THR CA C 61.4 0.20 1 448 . 55 THR HA H 4.53 0.01 1 449 . 55 THR CB C 69.7 0.20 1 450 . 55 THR CG2 C 21.4 0.20 1 451 . 55 THR HG2 H 1.04 0.01 1 452 . 55 THR C C 174.6 0.20 1 453 . 56 TYR N N 116.7 0.25 1 454 . 56 TYR H H 6.97 0.01 1 455 . 56 TYR CA C 55.8 0.20 1 456 . 56 TYR HA H 4.71 0.01 1 457 . 56 TYR CB C 39.9 0.20 1 458 . 56 TYR HB2 H 2.75 0.01 2 459 . 56 TYR HB3 H 2.51 0.01 2 460 . 56 TYR HD1 H 6.71 0.01 3 461 . 56 TYR HE1 H 7.21 0.01 3 462 . 56 TYR C C 174.7 0.20 1 463 . 57 ASP N N 124.2 0.25 1 464 . 57 ASP H H 9.18 0.01 1 465 . 57 ASP CA C 55.9 0.20 1 466 . 57 ASP HA H 4.29 0.01 1 467 . 57 ASP CB C 41.1 0.20 1 468 . 57 ASP HB2 H 3.02 0.01 2 469 . 57 ASP HB3 H 2.73 0.01 2 470 . 57 ASP C C 182.7 0.20 1 471 . 58 LYS N N 121.0 0.25 1 472 . 58 LYS H H 8.38 0.01 1 473 . 58 LYS CA C 57.0 0.20 1 474 . 58 LYS HA H 4.00 0.01 1 475 . 58 LYS CB C 33.1 0.20 1 476 . 58 LYS HB2 H 2.15 0.01 2 477 . 58 LYS HB3 H 1.86 0.01 2 478 . 58 LYS CG C 23.4 0.20 1 479 . 58 LYS CD C 30.1 0.20 1 480 . 58 LYS C C 178.4 0.20 1 481 . 59 THR N N 121.0 0.25 1 482 . 59 THR H H 8.68 0.01 1 483 . 59 THR CA C 68.8 0.20 1 484 . 59 THR HA H 4.13 0.01 1 485 . 59 THR CB C 66.7 0.20 1 486 . 59 THR HB H 3.77 0.01 1 487 . 59 THR HG2 H 1.28 0.01 1 488 . 60 PRO CD C 47.0 0.20 1 489 . 60 PRO CA C 66.1 0.20 1 490 . 60 PRO CB C 31.6 0.20 1 491 . 60 PRO C C 180.0 0.20 1 492 . 61 LEU N N 116.0 0.25 1 493 . 61 LEU H H 7.13 0.01 1 494 . 61 LEU CA C 59.9 0.20 1 495 . 61 LEU HA H 3.95 0.01 1 496 . 61 LEU CB C 40.6 0.20 1 497 . 61 LEU HB2 H 2.10 0.01 2 498 . 61 LEU HB3 H 1.54 0.01 2 499 . 61 LEU HG H 1.62 0.01 1 500 . 61 LEU CD1 C 27.1 0.20 2 501 . 61 LEU HD1 H 1.20 0.01 2 502 . 61 LEU CD2 C 27.0 0.20 2 503 . 61 LEU HD2 H 0.99 0.01 2 504 . 61 LEU C C 179.4 0.20 1 505 . 62 GLU N N 120.3 0.25 1 506 . 62 GLU H H 7.69 0.01 1 507 . 62 GLU CA C 59.2 0.20 1 508 . 62 GLU HA H 4.36 0.01 1 509 . 62 GLU CB C 29.6 0.20 1 510 . 62 GLU HB2 H 2.39 0.01 2 511 . 62 GLU HB3 H 2.25 0.01 2 512 . 62 GLU CG C 36.9 0.20 1 513 . 62 GLU HG2 H 1.98 0.01 2 514 . 62 GLU C C 182.6 0.20 1 515 . 63 LYS N N 120.3 0.25 1 516 . 63 LYS H H 8.38 0.01 1 517 . 63 LYS CA C 58.8 0.20 1 518 . 63 LYS HA H 4.09 0.01 1 519 . 63 LYS CB C 32.2 0.20 1 520 . 63 LYS HB2 H 1.87 0.01 2 521 . 63 LYS CG C 25.0 0.20 1 522 . 63 LYS HG2 H 1.62 0.01 2 523 . 63 LYS HG3 H 1.50 0.01 2 524 . 63 LYS CD C 29.1 0.20 1 525 . 63 LYS HE2 H 2.94 0.01 2 526 . 63 LYS C C 178.0 0.20 1 527 . 64 ASP N N 119.7 0.25 1 528 . 64 ASP H H 7.22 0.01 1 529 . 64 ASP CA C 53.8 0.20 1 530 . 64 ASP HA H 4.97 0.01 1 531 . 64 ASP CB C 41.8 0.20 1 532 . 64 ASP HB2 H 2.89 0.01 2 533 . 64 ASP HB3 H 2.46 0.01 2 534 . 64 ASP C C 176.9 0.20 1 535 . 65 GLY N N 105.8 0.25 1 536 . 65 GLY H H 7.70 0.01 1 537 . 65 GLY CA C 46.1 0.20 1 538 . 65 GLY HA2 H 4.09 0.01 2 539 . 65 GLY HA3 H 3.72 0.01 2 540 . 66 ILE N N 123.7 0.25 1 541 . 66 ILE H H 7.90 0.01 1 542 . 66 ILE CA C 59.8 0.20 1 543 . 66 ILE HA H 4.27 0.01 1 544 . 66 ILE CB C 38.7 0.20 1 545 . 66 ILE HB H 1.54 0.01 1 546 . 66 ILE CG2 C 17.8 0.20 2 547 . 66 ILE HG2 H 0.60 0.01 1 548 . 66 ILE HG12 H 1.36 0.01 2 549 . 66 ILE HG13 H 0.96 0.01 2 550 . 66 ILE CD1 C 13.6 0.20 1 551 . 66 ILE HD1 H 0.78 0.01 1 552 . 66 ILE C C 175.8 0.20 1 553 . 67 THR N N 124.0 0.25 1 554 . 67 THR H H 8.10 0.01 1 555 . 67 THR CA C 63.2 0.20 1 556 . 67 THR HA H 4.28 0.01 1 557 . 67 THR CB C 70.4 0.20 1 558 . 67 THR CG2 C 21.3 0.20 1 559 . 67 THR HG2 H 1.58 0.01 1 560 . 67 THR C C 174.1 0.20 1 561 . 68 VAL N N 128.5 0.25 1 562 . 68 VAL H H 8.93 0.01 1 563 . 68 VAL CA C 61.2 0.20 1 564 . 68 VAL HA H 5.03 0.01 1 565 . 68 VAL CB C 33.4 0.20 1 566 . 68 VAL HB H 1.86 0.01 1 567 . 68 VAL CG1 C 22.7 0.20 1 568 . 68 VAL HG1 H 0.98 0.01 2 569 . 68 VAL CG2 C 21.1 0.20 1 570 . 68 VAL HG2 H 0.76 0.01 2 571 . 68 VAL C C 176.2 0.20 1 572 . 69 VAL N N 129.7 0.25 1 573 . 69 VAL H H 9.02 0.01 1 574 . 69 VAL CA C 60.8 0.20 1 575 . 69 VAL HA H 3.93 0.01 1 576 . 69 VAL CB C 33.9 0.20 1 577 . 69 VAL HB H 1.25 0.01 1 578 . 69 VAL CG1 C 19.9 0.20 1 579 . 69 VAL HG1 H 0.27 0.01 2 580 . 69 VAL HG2 H -0.34 0.01 2 581 . 69 VAL C C 173.7 0.20 1 582 . 70 ASP N N 126.7 0.25 1 583 . 70 ASP H H 8.05 0.01 1 584 . 70 ASP CA C 54.1 0.20 1 585 . 70 ASP HA H 5.29 0.01 1 586 . 70 ASP CB C 43.1 0.20 1 587 . 70 ASP HB2 H 2.47 0.01 2 588 . 70 ASP HB3 H 2.40 0.01 2 589 . 70 ASP C C 175.4 0.20 1 590 . 71 TRP N N 126.0 0.25 1 591 . 71 TRP H H 8.34 0.01 1 592 . 71 TRP CA C 51.9 0.20 1 593 . 71 TRP HA H 5.51 0.01 1 594 . 71 TRP CB C 30.5 0.20 1 595 . 71 TRP HB2 H 3.26 0.01 2 596 . 71 TRP HB3 H 3.04 0.01 2 597 . 71 TRP NE1 N 128.6 0.25 1 598 . 71 TRP HD1 H 7.43 0.01 1 599 . 71 TRP HE3 H 7.35 0.01 1 600 . 71 TRP HE1 H 10.06 0.01 1 601 . 71 TRP HZ3 H 7.22 0.01 1 602 . 71 TRP HZ2 H 7.20 0.01 1 603 . 71 TRP HH2 H 7.46 0.01 1 604 . 72 PRO CA C 63.1 0.20 1 605 . 72 PRO HA H 3.95 0.01 1 606 . 72 PRO CB C 31.7 0.20 1 607 . 72 PRO HB2 H 1.70 0.01 2 608 . 72 PRO HD2 H 3.67 0.01 2 609 . 72 PRO HD3 H 3.38 0.01 2 610 . 72 PRO C C 178.7 0.20 1 611 . 73 PHE N N 113.5 0.25 1 612 . 73 PHE H H 7.18 0.01 1 613 . 73 PHE CA C 56.2 0.20 1 614 . 73 PHE HA H 4.73 0.01 1 615 . 73 PHE CB C 39.4 0.20 1 616 . 73 PHE HB2 H 3.25 0.01 2 617 . 73 PHE HB3 H 3.11 0.01 2 618 . 73 PHE HD1 H 7.36 0.01 3 619 . 73 PHE HE1 H 7.24 0.01 3 620 . 73 PHE C C 174.6 0.20 1 621 . 74 ASP N N 120.2 0.25 1 622 . 74 ASP H H 8.36 0.01 1 623 . 74 ASP CA C 55.9 0.20 1 624 . 74 ASP HA H 4.23 0.01 1 625 . 74 ASP CB C 41.1 0.20 1 626 . 74 ASP HB2 H 2.55 0.01 2 627 . 74 ASP C C 177.1 0.20 1 628 . 75 ASP N N 120.7 0.25 1 629 . 75 ASP H H 8.46 0.01 1 630 . 75 ASP CA C 55.9 0.20 1 631 . 75 ASP HA H 4.00 0.01 1 632 . 75 ASP CB C 40.9 0.20 1 633 . 75 ASP HB2 H 2.55 0.01 2 634 . 75 ASP C C 178.9 0.20 1 635 . 76 GLY N N 116.0 0.25 1 636 . 76 GLY H H 9.06 0.01 1 637 . 76 GLY CA C 45.3 0.20 1 638 . 76 GLY HA2 H 4.04 0.01 2 639 . 76 GLY HA3 H 3.51 0.01 2 640 . 76 GLY C C 173.9 0.20 1 641 . 77 ALA N N 123.5 0.25 1 642 . 77 ALA H H 7.80 0.01 1 643 . 77 ALA CA C 50.2 0.20 1 644 . 77 ALA HA H 4.83 0.01 1 645 . 77 ALA CB C 20.4 0.20 1 646 . 77 ALA HB H 1.53 0.01 1 647 . 80 PRO CA C 61.8 0.20 1 648 . 80 PRO HA H 4.33 0.01 1 649 . 80 PRO CB C 32.7 0.20 1 650 . 80 PRO HB2 H 2.42 0.01 2 651 . 80 PRO HG2 H 1.71 0.01 2 652 . 80 PRO C C 178.3 0.20 1 653 . 81 GLY N N 111.7 0.25 1 654 . 81 GLY H H 8.70 0.01 1 655 . 81 GLY CA C 48.2 0.20 1 656 . 81 GLY HA2 H 3.94 0.01 2 657 . 81 GLY HA3 H 3.65 0.01 2 658 . 81 GLY C C 176.2 0.20 1 659 . 82 LYS N N 120.7 0.25 1 660 . 82 LYS H H 8.50 0.01 1 661 . 82 LYS CA C 58.9 0.20 1 662 . 82 LYS HA H 3.94 0.01 1 663 . 82 LYS CB C 32.9 0.20 1 664 . 82 LYS HB2 H 1.73 0.01 2 665 . 82 LYS HB3 H 1.53 0.01 2 666 . 82 LYS CG C 24.4 0.20 1 667 . 82 LYS HG2 H 1.26 0.01 2 668 . 82 LYS HE2 H 2.96 0.01 2 669 . 82 LYS C C 178.4 0.20 1 670 . 83 VAL N N 116.5 0.25 1 671 . 83 VAL H H 6.33 0.01 1 672 . 83 VAL CA C 65.1 0.20 1 673 . 83 VAL HA H 3.35 0.01 1 674 . 83 VAL CB C 31.5 0.20 1 675 . 83 VAL HB H 1.62 0.01 1 676 . 83 VAL HG1 H 0.73 0.01 2 677 . 83 VAL C C 178.8 0.20 1 678 . 84 VAL N N 118.7 0.25 1 679 . 84 VAL H H 7.37 0.01 1 680 . 84 VAL CA C 68.8 0.20 1 681 . 84 VAL HA H 3.18 0.01 1 682 . 84 VAL CB C 31.7 0.20 1 683 . 84 VAL HB H 2.19 0.01 1 684 . 84 VAL CG1 C 23.8 0.20 1 685 . 84 VAL HG1 H 0.80 0.01 2 686 . 84 VAL CG2 C 22.0 0.20 1 687 . 84 VAL HG2 H 1.06 0.01 2 688 . 84 VAL C C 178.2 0.20 1 689 . 85 GLU N N 117.5 0.25 1 690 . 85 GLU H H 7.84 0.01 1 691 . 85 GLU CA C 59.5 0.20 1 692 . 85 GLU HA H 3.93 0.01 1 693 . 85 GLU CB C 29.6 0.20 1 694 . 85 GLU HB2 H 2.00 0.01 2 695 . 85 GLU CG C 36.1 0.20 1 696 . 85 GLU HG2 H 2.25 0.01 2 697 . 85 GLU C C 180.3 0.20 1 698 . 86 ASP N N 122.2 0.25 1 699 . 86 ASP H H 8.10 0.01 1 700 . 86 ASP CA C 57.4 0.20 1 701 . 86 ASP HA H 4.23 0.01 1 702 . 86 ASP CB C 38.3 0.20 1 703 . 86 ASP HB2 H 3.35 0.01 2 704 . 86 ASP HB3 H 3.21 0.01 2 705 . 86 ASP C C 179.6 0.20 1 706 . 87 TRP N N 124.7 0.25 1 707 . 87 TRP H H 8.92 0.01 1 708 . 87 TRP CA C 60.0 0.20 1 709 . 87 TRP HA H 4.93 0.01 1 710 . 87 TRP CB C 30.0 0.20 1 711 . 87 TRP HB2 H 3.63 0.01 2 712 . 87 TRP HB3 H 3.32 0.01 2 713 . 87 TRP NE1 N 125.5 0.25 1 714 . 87 TRP HD1 H 6.85 0.01 1 715 . 87 TRP HE3 H 7.85 0.01 1 716 . 87 TRP HE1 H 9.11 0.01 1 717 . 87 TRP HZ3 H 6.97 0.01 1 718 . 87 TRP HZ2 H 6.56 0.01 1 719 . 87 TRP HH2 H 6.91 0.01 1 720 . 87 TRP C C 177.3 0.20 1 721 . 88 LEU N N 118.0 0.25 1 722 . 88 LEU H H 8.68 0.01 1 723 . 88 LEU CA C 58.0 0.20 1 724 . 88 LEU HA H 3.75 0.01 1 725 . 88 LEU CB C 41.5 0.20 1 726 . 88 LEU HB2 H 1.18 0.01 2 727 . 88 LEU HB3 H 1.99 0.01 2 728 . 88 LEU CG C 27.1 0.20 1 729 . 88 LEU HG H 2.25 0.01 1 730 . 88 LEU CD1 C 22.1 0.20 2 731 . 88 LEU HD1 H 0.96 0.01 2 732 . 88 LEU HD2 H 0.76 0.01 2 733 . 88 LEU C C 180.7 0.20 1 734 . 89 SER N N 114.5 0.25 1 735 . 89 SER H H 8.02 0.01 1 736 . 89 SER CA C 62.3 0.20 1 737 . 89 SER HA H 4.15 0.01 1 738 . 89 SER CB C 63.0 0.20 1 739 . 89 SER HB2 H 3.95 0.01 2 740 . 89 SER C C 177.4 0.20 1 741 . 90 LEU N N 125.5 0.25 1 742 . 90 LEU H H 8.27 0.01 1 743 . 90 LEU CA C 59.1 0.20 1 744 . 90 LEU HA H 4.18 0.01 1 745 . 90 LEU CB C 42.6 0.20 1 746 . 90 LEU HB2 H 2.27 0.01 2 747 . 90 LEU HB3 H 2.13 0.01 2 748 . 90 LEU CG C 26.7 0.20 1 749 . 90 LEU HG H 1.49 0.01 1 750 . 90 LEU HD1 H 0.96 0.01 2 751 . 90 LEU CD2 C 26.4 0.20 2 752 . 90 LEU HD2 H 0.85 0.01 2 753 . 90 LEU C C 179.2 0.20 1 754 . 91 VAL N N 117.5 0.25 1 755 . 91 VAL H H 8.45 0.01 1 756 . 91 VAL CA C 66.6 0.20 1 757 . 91 VAL HA H 3.07 0.01 1 758 . 91 VAL CB C 31.1 0.20 1 759 . 91 VAL HB H 1.89 0.01 1 760 . 91 VAL CG1 C 22.2 0.20 1 761 . 91 VAL HG1 H 0.69 0.01 2 762 . 91 VAL HG2 H 0.31 0.01 2 763 . 91 VAL C C 177.6 0.20 1 764 . 92 LYS N N 118.7 0.25 1 765 . 92 LYS H H 7.67 0.01 1 766 . 92 LYS CA C 59.8 0.20 1 767 . 92 LYS HA H 4.00 0.01 1 768 . 92 LYS CB C 33.0 0.20 1 769 . 92 LYS HB2 H 1.90 0.01 2 770 . 92 LYS CG C 25.1 0.20 1 771 . 92 LYS HG2 H 1.74 0.01 2 772 . 92 LYS HE2 H 2.97 0.01 2 773 . 92 LYS C C 179.5 0.20 1 774 . 93 ALA N N 119.2 0.25 1 775 . 93 ALA H H 7.60 0.01 1 776 . 93 ALA CA C 55.2 0.20 1 777 . 93 ALA HA H 4.13 0.01 1 778 . 93 ALA CB C 18.7 0.20 1 779 . 93 ALA HB H 1.49 0.01 1 780 . 93 ALA C C 181.7 0.20 1 781 . 94 LYS N N 117.7 0.25 1 782 . 94 LYS H H 8.65 0.01 1 783 . 94 LYS CA C 57.8 0.20 1 784 . 94 LYS HA H 3.93 0.01 1 785 . 94 LYS CB C 30.4 0.20 1 786 . 94 LYS HB2 H 1.49 0.01 2 787 . 94 LYS HB3 H 1.29 0.01 2 788 . 94 LYS CG C 23.8 0.20 1 789 . 94 LYS HG2 H 0.98 0.01 2 790 . 94 LYS HE2 H 2.72 0.01 2 791 . 94 LYS HE3 H 2.81 0.01 2 792 . 94 LYS C C 179.8 0.20 1 793 . 95 PHE N N 113.7 0.25 1 794 . 95 PHE H H 7.44 0.01 1 795 . 95 PHE CA C 58.8 0.20 1 796 . 95 PHE HA H 4.60 0.01 1 797 . 95 PHE CB C 37.9 0.20 1 798 . 95 PHE HB2 H 3.31 0.01 2 799 . 95 PHE HB3 H 2.94 0.01 2 800 . 95 PHE HD1 H 7.23 0.01 3 801 . 95 PHE HE1 H 6.78 0.01 3 802 . 95 PHE C C 178.0 0.20 1 803 . 96 CYS N N 117.0 0.25 1 804 . 96 CYS H H 7.55 0.01 1 805 . 96 CYS CA C 62.1 0.20 1 806 . 96 CYS HA H 4.38 0.01 1 807 . 96 CYS CB C 27.5 0.20 1 808 . 96 CYS HB2 H 3.03 0.01 2 809 . 96 CYS C C 176.9 0.20 1 810 . 97 GLU N N 119.0 0.25 1 811 . 97 GLU H H 8.14 0.01 1 812 . 97 GLU CA C 58.2 0.20 1 813 . 97 GLU HA H 4.13 0.01 1 814 . 97 GLU CB C 30.3 0.20 1 815 . 97 GLU HB2 H 2.05 0.01 2 816 . 97 GLU CG C 36.1 0.20 1 817 . 97 GLU HG2 H 2.36 0.01 2 818 . 97 GLU C C 177.5 0.20 1 819 . 98 ALA N N 121.2 0.25 1 820 . 98 ALA H H 7.85 0.01 1 821 . 98 ALA CA C 49.5 0.20 1 822 . 98 ALA HA H 4.86 0.01 1 823 . 98 ALA CB C 18.3 0.20 1 824 . 98 ALA HB H 1.29 0.01 1 825 . 99 PRO CA C 64.1 0.20 1 826 . 99 PRO HA H 4.71 0.01 1 827 . 99 PRO CB C 31.7 0.20 1 828 . 99 PRO HB2 H 2.35 0.01 2 829 . 99 PRO HG2 H 2.02 0.01 2 830 . 99 PRO HG3 H 1.91 0.01 2 831 . 99 PRO HD2 H 3.58 0.01 2 832 . 99 PRO HD3 H 3.44 0.01 2 833 . 99 PRO C C 179.6 0.20 1 834 . 100 GLY N N 113.5 0.25 1 835 . 100 GLY H H 9.14 0.01 1 836 . 100 GLY CA C 45.9 0.20 1 837 . 100 GLY HA2 H 4.28 0.01 2 838 . 100 GLY HA3 H 3.79 0.01 2 839 . 100 GLY C C 176.0 0.20 1 840 . 101 SER N N 115.8 0.25 1 841 . 101 SER H H 8.02 0.01 1 842 . 101 SER CA C 59.1 0.20 1 843 . 101 SER HA H 4.55 0.01 1 844 . 101 SER CB C 64.6 0.20 1 845 . 101 SER HB2 H 4.17 0.01 2 846 . 101 SER HB3 H 4.04 0.01 2 847 . 101 SER C C 172.4 0.20 1 848 . 102 CYS N N 116.0 0.25 1 849 . 102 CYS H H 7.56 0.01 1 850 . 102 CYS CA C 56.0 0.20 1 851 . 102 CYS HA H 5.39 0.01 1 852 . 102 CYS CB C 30.1 0.20 1 853 . 102 CYS HB2 H 2.70 0.01 2 854 . 102 CYS HB3 H 2.37 0.01 2 855 . 102 CYS C C 174.6 0.20 1 856 . 103 VAL N N 128.2 0.25 1 857 . 103 VAL H H 8.36 0.01 1 858 . 103 VAL CA C 62.2 0.20 1 859 . 103 VAL HA H 4.34 0.01 1 860 . 103 VAL CB C 34.5 0.20 1 861 . 103 VAL HB H 2.17 0.01 1 862 . 103 VAL CG1 C 21.8 0.20 1 863 . 103 VAL HG1 H 1.03 0.01 2 864 . 103 VAL HG2 H 0.56 0.01 2 865 . 103 VAL C C 175.8 0.20 1 866 . 104 ALA N N 130.5 0.25 1 867 . 104 ALA H H 8.85 0.01 1 868 . 104 ALA CA C 50.3 0.20 1 869 . 104 ALA HA H 5.71 0.01 1 870 . 104 ALA CB C 21.3 0.20 1 871 . 104 ALA HB H 1.40 0.01 1 872 . 104 ALA C C 176.3 0.20 1 873 . 105 VAL N N 121.5 0.25 1 874 . 105 VAL H H 9.32 0.01 1 875 . 105 VAL CA C 58.9 0.20 1 876 . 105 VAL HA H 5.57 0.01 1 877 . 105 VAL CB C 35.2 0.20 1 878 . 105 VAL HB H 2.07 0.01 1 879 . 105 VAL HG1 H 0.89 0.01 2 880 . 106 HIS CA C 55.7 0.20 1 881 . 106 HIS CB C 32.8 0.20 1 882 . 106 HIS HB2 H 3.48 0.01 2 883 . 106 HIS HB3 H 3.33 0.01 2 884 . 106 HIS C C 174.6 0.20 1 885 . 107 CYS N N 121.0 0.25 1 886 . 107 CYS H H 8.38 0.01 1 887 . 107 CYS CA C 54.8 0.20 1 888 . 107 CYS HA H 4.29 0.01 1 889 . 107 CYS CB C 28.9 0.20 1 890 . 107 CYS HB2 H 3.02 0.01 2 891 . 107 CYS C C 175.0 0.20 1 892 . 108 VAL N N 123.5 0.25 1 893 . 108 VAL H H 8.92 0.01 1 894 . 108 VAL CA C 66.5 0.20 1 895 . 108 VAL HA H 4.28 0.01 1 896 . 108 VAL CB C 32.3 0.20 1 897 . 108 VAL HB H 2.09 0.01 1 898 . 108 VAL HG1 H 0.84 0.01 2 899 . 108 VAL C C 178.2 0.20 1 900 . 109 ALA N N 124.4 0.25 1 901 . 109 ALA H H 9.96 0.01 1 902 . 109 ALA CA C 52.8 0.20 1 903 . 109 ALA HA H 4.50 0.01 1 904 . 109 ALA CB C 19.1 0.20 1 905 . 109 ALA HB H 1.69 0.01 1 906 . 109 ALA C C 179.2 0.20 1 907 . 110 GLY N N 108.2 0.25 1 908 . 110 GLY H H 7.85 0.01 1 909 . 110 GLY CA C 45.8 0.20 1 910 . 110 GLY HA2 H 3.84 0.01 2 911 . 110 GLY C C 173.6 0.20 1 912 . 111 LEU N N 119.0 0.25 1 913 . 111 LEU H H 8.13 0.01 1 914 . 111 LEU CA C 55.3 0.20 1 915 . 111 LEU HA H 4.38 0.01 1 916 . 111 LEU CB C 46.2 0.20 1 917 . 111 LEU HB2 H 1.68 0.01 2 918 . 111 LEU HB3 H 1.42 0.01 2 919 . 111 LEU HG H 1.41 0.01 1 920 . 111 LEU HD1 H 0.82 0.01 2 921 . 111 LEU HD2 H 0.65 0.01 2 922 . 112 GLY N N 113.0 0.25 1 923 . 112 GLY H H 8.48 0.01 1 924 . 112 GLY CA C 47.0 0.20 1 925 . 112 GLY HA2 H 4.38 0.01 2 926 . 112 GLY HA3 H 4.23 0.01 2 927 . 113 ARG CA C 55.7 0.20 1 928 . 113 ARG CB C 32.9 0.20 1 929 . 113 ARG C C 176.7 0.20 1 930 . 114 ALA N N 125.5 0.25 1 931 . 114 ALA H H 8.28 0.01 1 932 . 114 ALA CA C 52.8 0.20 1 933 . 114 ALA HA H 3.99 0.01 1 934 . 114 ALA CB C 19.1 0.20 1 935 . 114 ALA HB H 1.46 0.01 1 936 . 115 PRO CA C 66.9 0.20 1 937 . 115 PRO CB C 31.2 0.20 1 938 . 115 PRO C C 177.8 0.20 1 939 . 116 VAL N N 116.5 0.25 1 940 . 116 VAL H H 8.19 0.01 1 941 . 116 VAL CA C 66.8 0.20 1 942 . 116 VAL HA H 3.58 0.01 1 943 . 116 VAL CB C 30.8 0.20 1 944 . 116 VAL HB H 2.16 0.01 1 945 . 116 VAL CG1 C 21.6 0.20 1 946 . 116 VAL HG1 H 0.98 0.01 2 947 . 116 VAL CG2 C 19.9 0.20 1 948 . 116 VAL C C 177.1 0.20 1 949 . 117 LEU N N 119.7 0.25 1 950 . 117 LEU H H 6.96 0.01 1 951 . 117 LEU CA C 58.1 0.20 1 952 . 117 LEU HA H 3.67 0.01 1 953 . 117 LEU CB C 39.1 0.20 1 954 . 117 LEU HB2 H 1.10 0.01 2 955 . 117 LEU HB3 H -0.46 0.01 2 956 . 117 LEU HG H 1.39 0.01 1 957 . 117 LEU CD1 C 25.9 0.20 2 958 . 117 LEU HD1 H 0.35 0.01 2 959 . 117 LEU CD2 C 21.9 0.20 2 960 . 117 LEU HD2 H 0.17 0.01 2 961 . 117 LEU C C 180.9 0.20 1 962 . 118 VAL N N 121.0 0.25 1 963 . 118 VAL H H 7.47 0.01 1 964 . 118 VAL CA C 67.6 0.20 1 965 . 118 VAL HA H 3.08 0.01 1 966 . 118 VAL CB C 31.0 0.20 1 967 . 118 VAL HB H 1.87 0.01 1 968 . 118 VAL CG1 C 23.0 0.20 1 969 . 118 VAL HG1 H 0.61 0.01 2 970 . 118 VAL C C 177.6 0.20 1 971 . 119 ALA N N 121.7 0.25 1 972 . 119 ALA H H 8.59 0.01 1 973 . 119 ALA CA C 56.0 0.20 1 974 . 119 ALA HA H 3.77 0.01 1 975 . 119 ALA CB C 17.9 0.20 1 976 . 119 ALA HB H 1.33 0.01 1 977 . 119 ALA C C 179.6 0.20 1 978 . 120 LEU N N 117.0 0.25 1 979 . 120 LEU H H 7.97 0.01 1 980 . 120 LEU CA C 58.5 0.20 1 981 . 120 LEU HA H 3.77 0.01 1 982 . 120 LEU CB C 43.2 0.20 1 983 . 120 LEU HB2 H 1.95 0.01 2 984 . 120 LEU HB3 H 1.32 0.01 2 985 . 120 LEU CG C 27.1 0.20 1 986 . 120 LEU HG H 1.63 0.01 1 987 . 120 LEU CD1 C 26.9 0.20 2 988 . 120 LEU HD1 H 0.79 0.01 2 989 . 120 LEU CD2 C 23.0 0.20 2 990 . 120 LEU HD2 H 0.25 0.01 2 991 . 120 LEU C C 179.4 0.20 1 992 . 121 ALA N N 120.2 0.25 1 993 . 121 ALA H H 7.70 0.01 1 994 . 121 ALA CA C 56.0 0.20 1 995 . 121 ALA HA H 4.06 0.01 1 996 . 121 ALA CB C 18.0 0.20 1 997 . 121 ALA HB H 1.64 0.01 1 998 . 121 ALA C C 179.0 0.20 1 999 . 122 LEU N N 117.0 0.25 1 1000 . 122 LEU H H 7.96 0.01 1 1001 . 122 LEU CA C 55.3 0.20 1 1002 . 122 LEU HA H 3.77 0.01 1 1003 . 122 LEU CB C 39.9 0.20 1 1004 . 122 LEU HB2 H 1.94 0.01 2 1005 . 122 LEU HB3 H 1.44 0.01 2 1006 . 122 LEU HG H 1.30 0.01 1 1007 . 122 LEU CD1 C 25.9 0.20 2 1008 . 122 LEU HD1 H 0.78 0.01 2 1009 . 122 LEU CD2 C 22.4 0.20 2 1010 . 122 LEU HD2 H 0.64 0.01 2 1011 . 122 LEU C C 181.3 0.20 1 1012 . 123 ILE N N 123.5 0.25 1 1013 . 123 ILE H H 8.59 0.01 1 1014 . 123 ILE CA C 64.2 0.20 1 1015 . 123 ILE HA H 4.74 0.01 1 1016 . 123 ILE CB C 39.2 0.20 1 1017 . 123 ILE HB H 1.94 0.01 1 1018 . 123 ILE CG2 C 17.4 0.20 2 1019 . 123 ILE HG2 H 1.24 0.01 1 1020 . 123 ILE CG1 C 27.9 0.20 2 1021 . 123 ILE HG12 H 1.73 0.01 2 1022 . 123 ILE CD1 C 13.0 0.20 1 1023 . 123 ILE HD1 H 0.96 0.01 1 1024 . 123 ILE C C 177.7 0.20 1 1025 . 124 GLU N N 121.7 0.25 1 1026 . 124 GLU H H 8.58 0.01 1 1027 . 124 GLU CA C 59.2 0.20 1 1028 . 124 GLU HA H 3.80 0.01 1 1029 . 124 GLU CB C 29.2 0.20 1 1030 . 124 GLU HB2 H 1.89 0.01 2 1031 . 124 GLU CG C 35.5 0.20 1 1032 . 124 GLU HG2 H 1.65 0.01 2 1033 . 124 GLU C C 177.8 0.20 1 1034 . 125 SER N N 114.3 0.25 1 1035 . 125 SER H H 7.79 0.01 1 1036 . 125 SER CA C 58.8 0.20 1 1037 . 125 SER HA H 4.62 0.01 1 1038 . 125 SER CB C 64.7 0.20 1 1039 . 125 SER HB2 H 4.18 0.01 2 1040 . 125 SER C C 175.8 0.20 1 1041 . 126 GLY N N 108.9 0.25 1 1042 . 126 GLY H H 7.89 0.01 1 1043 . 126 GLY CA C 45.1 0.20 1 1044 . 126 GLY HA2 H 3.75 0.01 2 1045 . 127 MET N N 123.7 0.25 1 1046 . 127 MET H H 7.98 0.01 1 1047 . 127 MET CA C 56.8 0.20 1 1048 . 127 MET HA H 4.25 0.01 1 1049 . 127 MET CB C 34.2 0.20 1 1050 . 127 MET HB2 H 1.40 0.01 2 1051 . 127 MET CG C 33.0 0.20 1 1052 . 127 MET HG2 H 2.45 0.01 2 1053 . 127 MET HG3 H 2.27 0.01 2 1054 . 127 MET C C 176.8 0.20 1 1055 . 128 LYS N N 126.0 0.25 1 1056 . 128 LYS H H 8.85 0.01 1 1057 . 128 LYS CA C 57.1 0.20 1 1058 . 128 LYS HA H 4.26 0.01 1 1059 . 128 LYS CB C 33.0 0.20 1 1060 . 128 LYS HB2 H 1.80 0.01 2 1061 . 128 LYS HB3 H 1.63 0.01 2 1062 . 128 LYS CG C 25.4 0.20 1 1063 . 128 LYS HG2 H 2.06 0.01 2 1064 . 128 LYS CD C 29.2 0.20 1 1065 . 128 LYS HD2 H 1.41 0.01 2 1066 . 128 LYS HE2 H 3.03 0.01 2 1067 . 128 LYS HE3 H 3.15 0.01 2 1068 . 128 LYS C C 179.8 0.20 1 1069 . 129 TYR N N 124.2 0.25 1 1070 . 129 TYR H H 9.17 0.01 1 1071 . 129 TYR CA C 61.9 0.20 1 1072 . 129 TYR HA H 4.06 0.01 1 1073 . 129 TYR CB C 38.1 0.20 1 1074 . 129 TYR HB2 H 3.16 0.01 2 1075 . 129 TYR HB3 H 3.00 0.01 2 1076 . 129 TYR HD1 H 6.99 0.01 3 1077 . 129 TYR HE1 H 6.81 0.01 3 1078 . 129 TYR C C 176.9 0.20 1 1079 . 130 GLU N N 119.8 0.25 1 1080 . 130 GLU H H 9.05 0.01 1 1081 . 130 GLU CA C 60.3 0.20 1 1082 . 130 GLU HA H 3.39 0.01 1 1083 . 130 GLU CB C 29.0 0.20 1 1084 . 130 GLU HB2 H 1.76 0.01 2 1085 . 130 GLU CG C 36.7 0.20 1 1086 . 130 GLU HG2 H 2.22 0.01 2 1087 . 130 GLU HG3 H 2.04 0.01 2 1088 . 130 GLU C C 179.9 0.20 1 1089 . 131 ASP N N 119.0 0.25 1 1090 . 131 ASP H H 6.76 0.01 1 1091 . 131 ASP CA C 56.7 0.20 1 1092 . 131 ASP HA H 4.41 0.01 1 1093 . 131 ASP CB C 40.3 0.20 1 1094 . 131 ASP HB2 H 2.65 0.01 2 1095 . 131 ASP C C 178.8 0.20 1 1096 . 132 ALA N N 125.3 0.25 1 1097 . 132 ALA H H 8.33 0.01 1 1098 . 132 ALA CA C 55.5 0.20 1 1099 . 132 ALA HA H 4.21 0.01 1 1100 . 132 ALA CB C 18.5 0.20 1 1101 . 132 ALA HB H 1.26 0.01 1 1102 . 132 ALA C C 179.8 0.20 1 1103 . 133 ILE N N 115.7 0.25 1 1104 . 133 ILE H H 8.01 0.01 1 1105 . 133 ILE CA C 64.2 0.20 1 1106 . 133 ILE HA H 3.48 0.01 1 1107 . 133 ILE CB C 36.8 0.20 1 1108 . 133 ILE HB H 1.77 0.01 1 1109 . 133 ILE CG2 C 17.1 0.20 2 1110 . 133 ILE HG2 H 0.78 0.01 1 1111 . 133 ILE HG12 H 1.32 0.01 2 1112 . 133 ILE HG13 H 1.21 0.01 2 1113 . 133 ILE CD1 C 12.6 0.20 1 1114 . 133 ILE HD1 H 0.76 0.01 1 1115 . 133 ILE C C 178.8 0.20 1 1116 . 134 GLN N N 118.7 0.25 1 1117 . 134 GLN H H 7.40 0.01 1 1118 . 134 GLN CA C 59.1 0.20 1 1119 . 134 GLN HA H 3.99 0.01 1 1120 . 134 GLN CB C 28.6 0.20 1 1121 . 134 GLN HB2 H 2.15 0.01 2 1122 . 134 GLN CG C 33.8 0.20 1 1123 . 134 GLN HG2 H 2.46 0.01 2 1124 . 134 GLN C C 178.7 0.20 1 1125 . 135 PHE N N 121.0 0.25 1 1126 . 135 PHE H H 8.37 0.01 1 1127 . 135 PHE CA C 60.3 0.20 1 1128 . 135 PHE HA H 4.31 0.01 1 1129 . 135 PHE CB C 39.9 0.20 1 1130 . 135 PHE HB2 H 3.32 0.01 2 1131 . 135 PHE HB3 H 3.00 0.01 2 1132 . 135 PHE HD1 H 7.11 0.01 3 1133 . 135 PHE HE1 H 7.33 0.01 3 1134 . 135 PHE HZ H 7.70 0.01 1 1135 . 135 PHE C C 178.9 0.20 1 1136 . 136 ILE N N 116.7 0.25 1 1137 . 136 ILE H H 7.91 0.01 1 1138 . 136 ILE CA C 63.6 0.20 1 1139 . 136 ILE HA H 3.49 0.01 1 1140 . 136 ILE CB C 32.2 0.20 1 1141 . 136 ILE HB H 1.87 0.01 1 1142 . 136 ILE CG2 C 17.3 0.20 2 1143 . 136 ILE HG2 H 0.76 0.01 1 1144 . 136 ILE CG1 C 26.9 0.20 2 1145 . 136 ILE HG12 H 1.62 0.01 2 1146 . 136 ILE HG13 H 1.16 0.01 2 1147 . 136 ILE CD1 C 12.6 0.20 1 1148 . 136 ILE HD1 H 0.73 0.01 1 1149 . 136 ILE C C 177.8 0.20 1 1150 . 137 ARG N N 118.7 0.25 1 1151 . 137 ARG H H 8.43 0.01 1 1152 . 137 ARG CA C 59.0 0.20 1 1153 . 137 ARG HA H 4.29 0.01 1 1154 . 137 ARG CB C 30.2 0.20 1 1155 . 137 ARG HB2 H 1.75 0.01 2 1156 . 137 ARG HB3 H 1.95 0.01 2 1157 . 137 ARG HD2 H 3.17 0.01 2 1158 . 137 ARG HD3 H 2.97 0.01 2 1159 . 137 ARG HG2 H 1.30 0.01 2 1160 . 137 ARG C C 178.7 0.20 1 1161 . 138 GLN N N 117.7 0.25 1 1162 . 138 GLN H H 7.81 0.01 1 1163 . 138 GLN CA C 58.3 0.20 1 1164 . 138 GLN HA H 4.03 0.01 1 1165 . 138 GLN CB C 28.6 0.20 1 1166 . 138 GLN HB2 H 2.22 0.01 2 1167 . 138 GLN HB3 H 2.10 0.01 2 1168 . 138 GLN CG C 34.3 0.20 1 1169 . 138 GLN HG2 H 2.57 0.01 2 1170 . 138 GLN HG3 H 2.45 0.01 2 1171 . 138 GLN C C 178.5 0.20 1 1172 . 139 LYS N N 116.5 0.25 1 1173 . 139 LYS H H 7.25 0.01 1 1174 . 139 LYS CA C 56.3 0.20 1 1175 . 139 LYS HA H 4.28 0.01 1 1176 . 139 LYS CB C 33.2 0.20 1 1177 . 139 LYS HB2 H 1.73 0.01 2 1178 . 139 LYS CG C 24.7 0.20 1 1179 . 139 LYS HG2 H 1.44 0.01 2 1180 . 139 LYS HG3 H 1.61 0.01 2 1181 . 139 LYS CD C 29.3 0.20 1 1182 . 139 LYS HD2 H 1.27 0.01 2 1183 . 139 LYS HE2 H 3.15 0.01 2 1184 . 139 LYS C C 177.2 0.20 1 1185 . 140 ARG N N 122.7 0.25 1 1186 . 140 ARG H H 8.30 0.01 1 1187 . 140 ARG CA C 56.5 0.20 1 1188 . 140 ARG HA H 4.47 0.01 1 1189 . 140 ARG CB C 32.2 0.20 1 1190 . 140 ARG HB2 H 1.76 0.01 2 1191 . 140 ARG HG2 H 1.40 0.01 2 1192 . 140 ARG HD2 H 3.19 0.01 2 1193 . 140 ARG C C 178.7 0.20 1 1194 . 141 ARG N N 127.0 0.25 1 1195 . 141 ARG H H 8.36 0.01 1 1196 . 141 ARG CA C 58.3 0.20 1 1197 . 141 ARG HA H 4.24 0.01 1 1198 . 141 ARG CB C 29.9 0.20 1 1199 . 141 ARG HB2 H 1.71 0.01 2 1200 . 141 ARG CG C 26.9 0.20 1 1201 . 141 ARG HG2 H 1.82 0.01 2 1202 . 141 ARG CD C 43.3 0.20 1 1203 . 141 ARG HD2 H 3.20 0.01 2 1204 . 141 ARG C C 178.8 0.20 1 1205 . 142 GLY N N 110.2 0.25 1 1206 . 142 GLY H H 8.89 0.01 1 1207 . 142 GLY CA C 45.0 0.20 1 1208 . 142 GLY HA2 H 3.96 0.01 2 1209 . 142 GLY HA3 H 3.67 0.01 2 1210 . 142 GLY C C 174.9 0.20 1 1211 . 143 ALA N N 122.2 0.25 1 1212 . 143 ALA H H 7.50 0.01 1 1213 . 143 ALA CA C 53.3 0.20 1 1214 . 143 ALA HA H 4.37 0.01 1 1215 . 143 ALA CB C 19.8 0.20 1 1216 . 143 ALA HB H 1.35 0.01 1 1217 . 143 ALA C C 177.7 0.20 1 1218 . 144 ILE N N 114.0 0.25 1 1219 . 144 ILE H H 8.70 0.01 1 1220 . 144 ILE CA C 65.9 0.20 1 1221 . 144 ILE HA H 3.33 0.01 1 1222 . 144 ILE CB C 34.7 0.20 1 1223 . 144 ILE HB H 1.45 0.01 1 1224 . 144 ILE CG2 C 19.2 0.20 2 1225 . 144 ILE HG2 H 0.81 0.01 1 1226 . 144 ILE CD1 C 12.7 0.20 1 1227 . 144 ILE HD1 H 0.67 0.01 1 1228 . 144 ILE C C 175.5 0.20 1 1229 . 145 ASN N N 127.0 0.25 1 1230 . 145 ASN H H 8.48 0.01 1 1231 . 145 ASN CA C 52.2 0.20 1 1232 . 145 ASN HA H 4.73 0.01 1 1233 . 145 ASN CB C 38.2 0.20 1 1234 . 145 ASN HB2 H 2.89 0.01 2 1235 . 145 ASN HB3 H 3.34 0.01 2 1236 . 145 ASN C C 173.7 0.20 1 1237 . 146 SER N N 127.0 0.25 1 1238 . 146 SER H H 8.36 0.01 1 1239 . 146 SER CA C 62.8 0.20 1 1240 . 146 SER HA H 4.70 0.01 1 1241 . 146 SER CB C 63.0 0.20 1 1242 . 146 SER HB2 H 3.83 0.01 2 1243 . 146 SER HB3 H 3.74 0.01 2 1244 . 146 SER C C 177.5 0.20 1 1245 . 147 LYS N N 123.2 0.25 1 1246 . 147 LYS H H 7.85 0.01 1 1247 . 147 LYS CA C 59.6 0.20 1 1248 . 147 LYS HA H 4.14 0.01 1 1249 . 147 LYS CB C 32.7 0.20 1 1250 . 147 LYS HB2 H 1.53 0.01 2 1251 . 147 LYS HB3 H 1.49 0.01 2 1252 . 147 LYS CG C 25.4 0.20 1 1253 . 147 LYS HG2 H 1.98 0.01 2 1254 . 147 LYS HG3 H 1.80 0.01 2 1255 . 147 LYS CD C 29.6 0.20 1 1256 . 147 LYS C C 176.4 0.20 1 1257 . 148 GLN N N 121.0 0.25 1 1258 . 148 GLN H H 8.67 0.01 1 1259 . 148 GLN CA C 58.9 0.20 1 1260 . 148 GLN HA H 3.77 0.01 1 1261 . 148 GLN CB C 27.9 0.20 1 1262 . 148 GLN HB2 H 1.58 0.01 2 1263 . 148 GLN CG C 34.2 0.20 1 1264 . 148 GLN HG2 H 1.86 0.01 2 1265 . 148 GLN C C 178.2 0.20 1 1266 . 149 LEU N N 122.7 0.25 1 1267 . 149 LEU H H 8.89 0.01 1 1268 . 149 LEU CA C 59.1 0.20 1 1269 . 149 LEU HA H 3.95 0.01 1 1270 . 149 LEU CB C 42.0 0.20 1 1271 . 149 LEU HB2 H 1.92 0.01 2 1272 . 149 LEU HB3 H 1.73 0.01 2 1273 . 149 LEU CG C 26.6 0.20 1 1274 . 149 LEU HG H 1.80 0.01 1 1275 . 149 LEU CD1 C 25.1 0.20 2 1276 . 149 LEU HD1 H 0.93 0.01 2 1277 . 149 LEU CD2 C 21.2 0.20 2 1278 . 149 LEU C C 179.6 0.20 1 1279 . 150 THR N N 115.5 0.25 1 1280 . 150 THR H H 7.91 0.01 1 1281 . 150 THR CA C 66.7 0.20 1 1282 . 150 THR HA H 3.94 0.01 1 1283 . 150 THR CB C 69.0 0.20 1 1284 . 150 THR HB H 4.14 0.01 1 1285 . 150 THR CG2 C 22.0 0.20 1 1286 . 150 THR HG2 H 1.26 0.01 1 1287 . 150 THR C C 176.6 0.20 1 1288 . 151 TYR N N 120.7 0.25 1 1289 . 151 TYR H H 7.34 0.01 1 1290 . 151 TYR CA C 61.5 0.20 1 1291 . 151 TYR HA H 4.09 0.01 1 1292 . 151 TYR CB C 38.1 0.20 1 1293 . 151 TYR HB2 H 3.26 0.01 2 1294 . 151 TYR HB3 H 3.07 0.01 2 1295 . 151 TYR HD1 H 6.98 0.01 3 1296 . 151 TYR HE1 H 6.66 0.01 3 1297 . 151 TYR C C 178.5 0.20 1 1298 . 152 LEU N N 120.2 0.25 1 1299 . 152 LEU H H 7.96 0.01 1 1300 . 152 LEU CA C 57.7 0.20 1 1301 . 152 LEU HA H 3.73 0.01 1 1302 . 152 LEU CB C 42.4 0.20 1 1303 . 152 LEU HB2 H 2.26 0.01 2 1304 . 152 LEU HB3 H 1.30 0.01 2 1305 . 152 LEU CG C 27.4 0.20 1 1306 . 152 LEU CD1 C 19.1 0.20 2 1307 . 152 LEU HD1 H 0.93 0.01 2 1308 . 152 LEU HD2 H 0.79 0.01 2 1309 . 152 LEU C C 178.0 0.20 1 1310 . 153 GLU N N 120.5 0.25 1 1311 . 153 GLU H H 8.27 0.01 1 1312 . 153 GLU CA C 58.6 0.20 1 1313 . 153 GLU HA H 2.42 0.01 1 1314 . 153 GLU CB C 29.8 0.20 1 1315 . 153 GLU HB2 H 1.86 0.01 2 1316 . 153 GLU HB3 H 1.73 0.01 2 1317 . 153 GLU CG C 36.1 0.20 1 1318 . 153 GLU HG2 H 1.98 0.01 2 1319 . 153 GLU HG3 H 1.85 0.01 2 1320 . 153 GLU C C 178.7 0.20 1 1321 . 154 LYS N N 114.8 0.25 1 1322 . 154 LYS H H 7.09 0.01 1 1323 . 154 LYS CA C 55.7 0.20 1 1324 . 154 LYS HA H 4.07 0.01 1 1325 . 154 LYS CB C 33.0 0.20 1 1326 . 154 LYS HB2 H 1.83 0.01 2 1327 . 154 LYS CG C 25.4 0.20 1 1328 . 154 LYS HG2 H 1.64 0.01 2 1329 . 154 LYS HG3 H 1.52 0.01 2 1330 . 154 LYS CD C 28.9 0.20 1 1331 . 154 LYS HD2 H 1.39 0.01 2 1332 . 154 LYS HE2 H 3.45 0.01 2 1333 . 154 LYS C C 176.9 0.20 1 1334 . 155 TYR N N 124.0 0.25 1 1335 . 155 TYR H H 7.17 0.01 1 1336 . 155 TYR CA C 59.8 0.20 1 1337 . 155 TYR HA H 3.76 0.01 1 1338 . 155 TYR CB C 38.4 0.20 1 1339 . 155 TYR HB2 H 2.79 0.01 2 1340 . 155 TYR HB3 H 2.62 0.01 2 1341 . 155 TYR HD1 H 6.75 0.01 3 1342 . 155 TYR HE1 H 6.67 0.01 3 1343 . 155 TYR C C 176.1 0.20 1 1344 . 156 ARG N N 130.5 0.25 1 1345 . 156 ARG H H 7.68 0.01 1 1346 . 156 ARG CA C 51.6 0.20 1 1347 . 156 ARG HA H 4.72 0.01 1 1348 . 156 ARG CB C 30.4 0.20 1 1349 . 156 ARG HB2 H 1.55 0.01 2 1350 . 156 ARG HD2 H 3.11 0.01 2 1351 . 157 PRO CA C 62.2 0.20 1 1352 . 157 PRO HA H 4.65 0.01 1 1353 . 157 PRO CB C 33.7 0.20 1 1354 . 157 PRO HB2 H 2.14 0.01 2 1355 . 157 PRO CG C 27.1 0.20 1 1356 . 157 PRO HG2 H 2.04 0.01 2 1357 . 157 PRO HD2 H 3.79 0.01 2 1358 . 157 PRO C C 178.0 0.20 1 1359 . 158 LYS N N 122.5 0.25 1 1360 . 158 LYS H H 9.54 0.01 1 1361 . 158 LYS CA C 56.0 0.20 1 1362 . 158 LYS HA H 4.42 0.01 1 1363 . 158 LYS CB C 33.4 0.20 1 1364 . 158 LYS HB2 H 1.97 0.01 2 1365 . 158 LYS HB3 H 1.64 0.01 2 1366 . 158 LYS CG C 25.4 0.20 1 1367 . 158 LYS HG2 H 1.46 0.01 2 1368 . 158 LYS CD C 29.2 0.20 1 1369 . 158 LYS HE2 H 2.96 0.01 2 1370 . 158 LYS C C 177.2 0.20 1 1371 . 159 GLN N N 118.2 0.25 1 1372 . 159 GLN H H 8.31 0.01 1 1373 . 159 GLN CA C 56.7 0.20 1 1374 . 159 GLN HA H 4.36 0.01 1 1375 . 159 GLN CB C 26.9 0.20 1 1376 . 159 GLN HB2 H 2.23 0.01 2 1377 . 159 GLN CG C 34.0 0.20 1 1378 . 159 GLN HG2 H 2.13 0.01 2 1379 . 159 GLN C C 178.2 0.20 1 1380 . 160 ARG N N 118.0 0.25 1 1381 . 160 ARG H H 8.88 0.01 1 1382 . 160 ARG CA C 58.0 0.20 1 1383 . 160 ARG HA H 4.11 0.01 1 1384 . 160 ARG CB C 31.0 0.20 1 1385 . 160 ARG HB2 H 2.23 0.01 2 1386 . 160 ARG CG C 28.4 0.20 1 1387 . 160 ARG CD C 43.2 0.20 1 1388 . 160 ARG C C 178.0 0.20 1 1389 . 161 LEU N N 118.7 0.25 1 1390 . 161 LEU H H 7.97 0.01 1 1391 . 161 LEU CA C 55.2 0.20 1 1392 . 161 LEU HA H 4.56 0.01 1 1393 . 161 LEU CB C 42.5 0.20 1 1394 . 161 LEU HB2 H 1.77 0.01 2 1395 . 161 LEU HB3 H 1.47 0.01 2 1396 . 161 LEU HG H 1.49 0.01 1 1397 . 161 LEU CD1 C 24.6 0.20 2 1398 . 161 LEU HD1 H 1.07 0.01 2 1399 . 161 LEU CD2 C 23.6 0.20 2 1400 . 161 LEU HD2 H 0.94 0.01 2 1401 . 161 LEU C C 177.8 0.20 1 1402 . 162 ARG N N 123.2 0.25 1 1403 . 162 ARG H H 7.98 0.01 1 1404 . 162 ARG CA C 56.3 0.20 1 1405 . 162 ARG HA H 4.25 0.01 1 1406 . 162 ARG CB C 31.1 0.20 1 1407 . 162 ARG HB2 H 1.41 0.01 2 1408 . 162 ARG CG C 27.1 0.20 1 1409 . 162 ARG CD C 43.5 0.20 1 1410 . 162 ARG C C 176.4 0.20 1 1411 . 163 PHE N N 123.5 0.25 1 1412 . 163 PHE H H 8.38 0.01 1 1413 . 163 PHE CA C 57.4 0.20 1 1414 . 163 PHE HA H 4.28 0.01 1 1415 . 163 PHE CB C 40.0 0.20 1 1416 . 163 PHE HB2 H 2.92 0.01 2 1417 . 163 PHE HB3 H 2.73 0.01 2 1418 . 163 PHE HD1 H 7.15 0.01 3 1419 . 163 PHE HE1 H 7.33 0.01 3 1420 . 163 PHE HZ H 7.27 0.01 1 1421 . 164 LYS CA C 55.9 0.20 1 1422 . 164 LYS HA H 4.17 0.01 1 1423 . 164 LYS CB C 33.4 0.20 1 1424 . 164 LYS CG C 24.6 0.20 1 1425 . 164 LYS CD C 29.1 0.20 1 1426 . 164 LYS CE C 41.9 0.20 1 1427 . 164 LYS C C 176.1 0.20 1 1428 . 165 ASP N N 124.0 0.25 1 1429 . 165 ASP H H 8.26 0.01 1 1430 . 165 ASP CA C 52.4 0.20 1 1431 . 165 ASP HA H 4.70 0.01 1 1432 . 165 ASP CB C 41.7 0.20 1 1433 . 165 ASP HB2 H 2.74 0.01 2 1434 . 165 ASP HB3 H 2.51 0.01 2 1435 . 166 PRO CD C 51.2 0.20 1 1436 . 166 PRO CA C 63.5 0.20 1 1437 . 166 PRO CB C 32.1 0.20 1 1438 . 166 PRO CG C 27.5 0.20 1 1439 . 166 PRO C C 176.7 0.20 1 1440 . 167 HIS N N 127.0 0.25 1 1441 . 167 HIS H H 7.88 0.01 1 1442 . 167 HIS CA C 57.5 0.20 1 1443 . 167 HIS CB C 32.0 0.20 1 1444 . 167 HIS HB2 H 3.28 0.01 2 1445 . 167 HIS C C 177.7 0.20 1 1446 . 168 THR N N 113.8 0.25 1 1447 . 168 THR H H 8.21 0.01 1 1448 . 168 THR HA H 4.16 0.01 1 1449 . 168 THR HG2 H 1.32 0.01 1 1450 . 170 LYS CA C 56.4 0.20 1 1451 . 170 LYS CB C 33.4 0.20 1 1452 . 170 LYS CG C 24.8 0.20 1 1453 . 170 LYS CD C 29.1 0.20 1 1454 . 170 LYS CE C 41.9 0.20 1 1455 . 170 LYS C C 177.4 0.20 1 1456 . 171 THR N N 116.5 0.25 1 1457 . 171 THR H H 8.24 0.01 1 1458 . 171 THR CA C 62.1 0.20 1 1459 . 171 THR HA H 4.32 0.01 1 1460 . 171 THR CB C 69.9 0.20 1 1461 . 171 THR CG2 C 21.9 0.20 1 1462 . 171 THR HG2 H 1.19 0.01 1 1463 . 171 THR C C 174.5 0.20 1 1464 . 172 ARG N N 128.5 0.25 1 1465 . 172 ARG H H 7.94 0.01 1 1466 . 172 ARG HA H 4.18 0.01 1 1467 . 172 ARG HB2 H 1.80 0.01 2 1468 . 172 ARG HB3 H 1.72 0.01 2 1469 . 172 ARG HG2 H 1.55 0.01 2 1470 . 172 ARG HD2 H 3.17 0.01 2 stop_ save_